*HEADER   DNA-BINDING PROTEIN                     01-MAY-92   1BBO    
*COMPND   HUMAN ENHANCER-BINDING PROTEIN MBP-1 MUTANT WITH CYS 11     
*COMPND  2 REPLACED BY ABU (C11ABU) (NMR, 60 STRUCTURES)              
*SOURCE   HUMAN (HOMO SAPIENS) RECOMBINANT FORM EXPRESSED IN          
*SOURCE  2 (ESCHERICHIA COLI)                                         
*AUTHOR   G.M.CLORE,J.G.OMICHINSKI,A.M.GRONENBORN                     
*REVDAT  1   31-OCT-93 1BBO    0                                      


REMARK Experimental NMR restraints used to determine the
REMARK high resolution three-dimensional solution structure of the double 
REMARK Cys2His2 zinc finger from the human enhance rbinding protein MBP-1
REMARK
REMARK
REMARK
REMARK Authors: G.M. Clore, J.G. Omichinski and A.M. Gronenborn
REMARK
REMARK References
REMARK
REMARK 1. J.G. Omichinski, G.M. Clore, M. Robien, K. Sakaguchi, E. Appella
REMARK    & A.M. Gronenborn (1992) High resolution solution structure of the 
REMARK    double Cys2His2 zinc finger from the human enhancer binding protein
REMARK    MBP-1.  Biochemistry in press
REMARK
REMARK    Details of the structure determination and all structural
REMARK    statistics are given in ref. 1 (i.e. agreement with experimental
REMARK    restraints, deviations from ideality for bond lengths, angles,
REMARK    planes and chirality, non-bonded contacts, atomic rms differences
REMARK    between the calculated structures).
REMARK    The structures are based on 1135 interproton distance restraints
REMARK    derived from NOE measurements; and 55 phi, 44 psi and 45 chi1
REMARK    torsion angle restraints derived from coupling constants and NOE data,
REMARK    using the conformational grid search program STEROSEARCH (Nilges, M.
REMARK    Clore, G.M. & Gronenborn, A.M. (1990) Biopolymers 29, 813 
REMARK
REMARK    The method used to determine the structures
REMARK    is the hybrid metric matrix distance geometry-dynamical simulated
REMARK    annealing method  [Nilges, M., Clore, G.M. & Gronenborn, A.M.
REMARK    FEBS Lett. 229, 317-324 (1988)].
REMARK
REMARK
REMARK
REMARK    All the coordinates
REMARK    are included here as a separate file: mbp_brookhaven.pdb
REMARK
REMARK    The NOE restraints are given in (A) and the torsion angle restraints
REMARK    in (B).
REMARK
REMARK

A. NOE interproton distance restraints

The restraints are represented by square-well potentials with the upper (u)
and lower (l) limits given  by u=i+k and l=i-j where the numbers are
entered in the order i,j,k. [Clore et al. (1986) EMBO J. 5, 2729-2735]

The NOEs are classified into three distance ranges corresponding to
strong, medium and weak NOEs.  These are 1.8-2.7 A, 1.8-3.3 A and 1.8-5.0 A,
respectively.  Appropriate corrections to the upper limits for distances
involving methyl, methylene and Tyr and Phe aromatic ring protons, to account
for centre averaging, are carried out as described by Wuthrich et al. 
[J. Mol. Biol. 169, 949-961 (1983)].  In addition, an extra 0.5 A is added
to the upper limits of distances involving methyl protons [Clore et al.
(1983) Biochemistry 26, 8012-8023; Wagner et al. (1987) 
J. Mol. Biol. 196, 611-640].

The atom notation follows standard PDB format.  The # indicates a single
wild card, and the * a full wild card. e.g. For Leu, HD* representes all the
methyl protons; for a normal methylene beta proton, HB# represents the 
two protons.  In these cases, the distances are calculated as centre 
 averages.

Note that the hard sphere van der Waals repulsion term ensures that
the minimum lower limit for all distances is the sum of the relevant
hard sphere atom radii.


!N-terminal finger intraresidue NOEs
! RESIDUE 1 LYS INTRARESIDUE
assign (resid    1 and  name HA   )(resid    1 and  name HB#  ) 2.5 1.7 1.2 !#
assign (resid    1 and  name HA   )(resid    1 and  name HG#  ) 4.0 2.8 1.6 !#
assign (resid    1 and  name HA   )(resid    1 and  name HD#  ) 4.0 3.2 3.0 !#
!RESIDUE 2 TYR INTRARESIDUE
assign (resid    2 and  name HN   )(resid    2 and  name HA   ) 4.0 2.2 1.0
assign (resid    2 and  name HN   )(resid    2 and  name HD1  ) 4.0 2.2 1.0
assign (resid    2 and  name HN   )(resid    2 and  name HB2  ) 3.0 1.2 0.5
assign (resid    2 and  name HN   )(resid    2 and  name HB1  ) 4.0 2.2 1.0
assign (resid    2 and  name HA   )(resid    2 and  name HD2  ) 2.5 0.7 0.2
assign (resid    2 and  name HA   )(resid    2 and  name HB2  ) 4.0 2.2 1.0
assign (resid    2 and  name HA   )(resid    2 and  name HB1  ) 2.5 0.7 0.2
assign (resid    2 and  name HD1  )(resid    2 and  name HB2  ) 2.5 0.7 0.2
assign (resid    2 and  name HD2  )(resid    2 and  name HB1  ) 2.5 0.7 0.2
!RESIDUE 3 ILE INTRARESIDUE 
assign (resid    3 and  name HN   )(resid    3 and  name HA   ) 3.0 1.2 0.5
assign (resid    3 and  name HN   )(resid    3 and  name HB   ) 3.0 1.2 0.5
assign (resid    3 and  name HN   )(resid    3 and  name HG2# ) 3.0 2.7 2.0 !#
assign (resid    3 and  name HN   )(resid    3 and  name HG1# ) 4.0 3.2 2.0 !#
assign (resid    3 and  name HN   )(resid    3 and  name HG1# ) 4.0 3.2 3.0 !#
assign (resid    3 and  name HN   )(resid    3 and  name HD#  ) 4.0 3.7 3.5 !#
assign (resid    3 and  name HA   )(resid    3 and  name HB   ) 3.0 1.2 0.3
assign (resid    3 and  name HA   )(resid    3 and  name HG2# ) 3.0 2.3 1.4 !#
assign (resid    3 and  name HA   )(resid    3 and  name HG1# ) 4.0 2.8 2.6 !#
assign (resid    3 and  name HA   )(resid    3 and  name HG1# ) 4.0 2.8 2.6 !#
assign (resid    3 and  name HA   )(resid    3 and  name HD#  ) 4.0 3.7 2.5 !#
!RESIDUE 4 CYS INTRARESIDUE 
assign (resid    4 and  name HN   )(resid    4 and  name HA   ) 2.5 0.7 0.2
assign (resid    4 and  name HN   )(resid    4 and  name HB1  ) 2.5 0.7 0.2
assign (resid    4 and  name HN   )(resid    4 and  name HB2  ) 2.5 0.7 0.2
assign (resid    4 and  name HA   )(resid    4 and  name HB1  ) 4.0 2.2 1.0
assign (resid    4 and  name HA   )(resid    4 and  name HB2  ) 2.5 0.7 0.2
!RESIDUE 5 GLU INTRARESIDUE
assign (resid    5 and  name HN   )(resid    5 and  name HA   ) 2.5 0.7 0.2
assign (resid    5 and  name HN   )(resid    5 and  name HB1  ) 4.0 2.2 1.0
assign (resid    5 and  name HN   )(resid    5 and  name HB2  ) 2.5 0.7 0.2
assign (resid    5 and  name HN   )(resid    5 and  name HG#  ) 4.0 3.2 2.0 !#
assign (resid    5 and  name HA   )(resid    5 and  name HB1  ) 2.5 0.7 0.2
assign (resid    5 and  name HA   )(resid    5 and  name HB2  ) 4.0 2.2 1.0
assign (resid    5 and  name HA   )(resid    5 and  name HG#  ) 4.0 2.8 1.6 !#
!RESIDUE 6 GLU INTRARESIDUE 
assign (resid    6 and  name HN   )(resid    6 and  name HA   ) 2.5 0.7 0.2
assign (resid    6 and  name HN   )(resid    6 and  name HB2  ) 2.5 0.7 0.2
assign (resid    6 and  name HN   )(resid    6 and  name HB1  ) 2.5 0.7 0.2
assign (resid    6 and  name HN   )(resid    6 and  name HG#  ) 3.0 2.2 1.5 !#
assign (resid    6 and  name HA   )(resid    6 and  name HB2  ) 3.0 1.2 0.5
assign (resid    6 and  name HA   )(resid    6 and  name HB1  ) 4.0 2.2 1.0
assign (resid    6 and  name HA   )(resid    6 and  name HG#  ) 3.0 1.8 0.9 !#
!RESIDUE 7 CYS INTRARESIDUE
assign (resid    7 and  name HN   )(resid    7 and  name HA   ) 3.0 1.2 0.5
assign (resid    7 and  name HN   )(resid    7 and  name HB1  ) 4.0 2.2 1.0
assign (resid    7 and  name HN   )(resid    7 and  name HB2  ) 3.0 1.2 0.5
assign (resid    7 and  name HA   )(resid    7 and  name HB1  ) 2.5 0.7 0.2
assign (resid    7 and  name HA   )(resid    7 and  name HB2  ) 4.0 2.2 1.0
!RESIDUE 8 GLY INTRARESIDUE 
assign (resid    8 and  name HN   )(resid    8 and  name HA#  ) 3.0 1.8 1.1 !#
!RESIDUE 9 ILE INTRARESIDUE 
assign (resid    9 and  name HN   )(resid    9 and  name HA   ) 2.5 0.7 0.2
assign (resid    9 and  name HN   )(resid    9 and  name HB   ) 2.5 0.7 0.2
assign (resid    9 and  name HN   )(resid    9 and  name HG2# ) 3.0 2.7 2.0 !#
assign (resid    9 and  name HN   )(resid    9 and  name HG1# ) 3.0 2.2 1.5 !#
assign (resid    9 and  name HN   )(resid    9 and  name HD#  ) 4.0 3.7 3.5 !#
assign (resid    9 and  name HA   )(resid    9 and  name HB   ) 2.5 0.7 0.2
assign (resid    9 and  name HA   )(resid    9 and  name HG2# ) 3.0 2.3 1.4 !#
assign (resid    9 and  name HA   )(resid    9 and  name HG1# ) 3.0 1.8 0.9 !#
assign (resid    9 and  name HA   )(resid    9 and  name HD#  ) 4.0 3.7 2.5 !#
!RESIDUE 10 ARG INTRARESIDUE 
assign (resid   10 and  name HN   )(resid   10 and  name HA   ) 4.0 2.2 1.0
assign (resid   10 and  name HN   )(resid   10 and  name HB2  ) 2.5 0.7 0.2
assign (resid   10 and  name HN   )(resid   10 and  name HB1  ) 2.5 0.7 0.2
assign (resid   10 and  name HA   )(resid   10 and  name HB2  ) 2.5 0.7 0.2
assign (resid   10 and  name HA   )(resid   10 and  name HB1  ) 4.0 2.2 1.0
assign (resid   10 and  name HA   )(resid   10 and  name HG#  ) 4.0 2.8 1.6 !#
assign (resid   10 and  name HA   )(resid   10 and  name HD#  ) 4.0 3.2 2.0 !#
!RESIDUE 11 ABU INTRARESIDUE 
assign (resid   11 and  name HN   )(resid   11 and  name HA   ) 3.0 1.2 0.5
assign (resid   11 and  name HN   )(resid   11 and  name HB1  ) 4.0 2.2 1.0
assign (resid   11 and  name HN   )(resid   11 and  name HB2  ) 2.5 0.7 0.2
assign (resid   11 and  name HN   )(resid   11 and  name HG#  ) 4.0 3.2 2.0 !#
assign (resid   11 and  name HA   )(resid   11 and  name HB1  ) 2.5 0.7 0.2
assign (resid   11 and  name HA   )(resid   11 and  name HB2  ) 4.0 2.2 1.0
assign (resid   11 and  name HA   )(resid   11 and  name HG#  ) 2.5 1.3 0.8 !#
!RESIDUE 12 LYS INTRARESIDUE 
assign (resid   12 and  name HN   )(resid   12 and  name HA   ) 2.5 0.7 0.2
assign (resid   12 and  name HN   )(resid   12 and  name HB1  ) 4.0 2.2 1.0
assign (resid   12 and  name HN   )(resid   12 and  name HB2  ) 2.5 0.7 0.2
assign (resid   12 and  name HN   )(resid   12 and  name HG#  ) 4.0 3.2 2.0 !#
assign (resid   12 and  name HN   )(resid   12 and  name HD#  ) 4.0 3.2 3.0 !#
assign (resid   12 and  name HA   )(resid   12 and  name HB1  ) 2.5 0.7 0.2
assign (resid   12 and  name HA   )(resid   12 and  name HB2  ) 4.0 2.2 1.0
assign (resid   12 and  name HA   )(resid   12 and  name HG#  ) 4.0 2.8 1.6 !#
assign (resid   12 and  name HA   )(resid   12 and  name HD#  ) 4.0 3.2 2.0 !#
!RESIDUE 13 LYS INTRARESIDUE 
assign (resid   13 and  name HN   )(resid   13 and  name HA   ) 4.0 2.2 1.0
assign (resid   13 and  name HN   )(resid   13 and  name HB1  ) 4.0 2.2 1.0
assign (resid   13 and  name HN   )(resid   13 and  name HB2  ) 4.0 2.2 1.0
assign (resid   13 and  name HN   )(resid   13 and  name HG#  ) 4.0 3.2 2.0 !#
assign (resid   13 and  name HA   )(resid   13 and  name HB1  ) 2.5 0.7 0.2
assign (resid   13 and  name HA   )(resid   13 and  name HB2  ) 4.0 2.2 1.0
assign (resid   13 and  name HA   )(resid   13 and  name HG#  ) 3.0 1.8 0.9 !#
!RESIDUE 14 PRO INTRARESIDUE 
assign (resid   14 and  name HA   )(resid   14 and  name HB1  ) 2.5 0.7 0.2
assign (resid   14 and  name HA   )(resid   14 and  name HB2  ) 4.0 2.2 1.0
assign (resid   14 and  name HA   )(resid   14 and  name HG#  ) 4.0 2.8 1.6 !#
assign (resid   14 and  name HA   )(resid   18 and  name HA   ) 4.0 2.2 1.0
!RESIDUE 15 SER INTRARESIDUE 
assign (resid   15 and  name HN   )(resid   15 and  name HB2  ) 4.0 2.2 2.0
assign (resid   15 and  name HN   )(resid   15 and  name HB1  ) 3.0 1.2 0.5
assign (resid   15 and  name HA   )(resid   15 and  name HB2  ) 2.5 0.7 0.2
assign (resid   15 and  name HA   )(resid   15 and  name HB1  ) 2.5 0.7 0.2
!RESIDUE 16 MET INTRARESIDUE
assign (resid   16 and  name HN   )(resid   16 and  name HA   ) 3.0 1.2 0.5
assign (resid   16 and  name HN   )(resid   16 and  name HB1  ) 4.0 2.2 1.0
assign (resid   16 and  name HN   )(resid   16 and  name HB2  ) 2.5 0.7 0.2
assign (resid   16 and  name HN   )(resid   16 and  name HG#  ) 3.0 2.2 1.5 !#
assign (resid   16 and  name HA   )(resid   16 and  name HB1  ) 2.5 0.7 0.2
assign (resid   16 and  name HA   )(resid   16 and  name HB2  ) 3.0 1.2 0.3
assign (resid   16 and  name HA   )(resid   16 and  name HG#  ) 3.0 1.8 0.9 !#
!RESIDUE 17 LEU INTERESIDUE
assign (resid   17 and  name HN   )(resid   17 and  name HA   ) 3.0 1.2 0.5
assign (resid   17 and  name HN   )(resid   17 and  name HB1  ) 2.5 0.7 0.2
assign (resid   17 and  name HN   )(resid   17 and  name HB2  ) 2.5 0.7 0.2
assign (resid   17 and  name HN   )(resid   17 and  name HG   ) 4.0 2.2 2.0
assign (resid   17 and  name HN   )(resid   17 and  name HD1# ) 4.0 3.7 3.5 !#
assign (resid   17 and  name HN   )(resid   17 and  name HD2# ) 4.0 3.7 3.5 !#
assign (resid   17 and  name HA   )(resid   17 and  name HB1  ) 4.0 2.2 1.0
assign (resid   17 and  name HA   )(resid   17 and  name HB2  ) 2.5 0.7 0.2
assign (resid   17 and  name HA   )(resid   17 and  name HG   ) 4.0 2.2 2.0
assign (resid   17 and  name HA   )(resid   17 and  name HD1# ) 4.0 3.7 3.5 !#
assign (resid   17 and  name HA   )(resid   17 and  name HD2# ) 4.0 3.7 2.5 !#
!RESIDUE 18 LYS INTRARESIDUE
assign (resid   18 and  name HN   )(resid   18 and  name HA   ) 2.5 0.7 0.2
assign (resid   18 and  name HN   )(resid   18 and  name HB#  ) 2.5 1.3 0.8 !#
assign (resid   18 and  name HN   )(resid   18 and  name HG#  ) 4.0 3.2 3.0 !#
assign (resid   18 and  name HN   )(resid   18 and  name HD#  ) 4.0 3.2 2.0 !#
assign (resid   18 and  name HA   )(resid   18 and  name HB#  ) 2.5 1.7 1.2 !#
assign (resid   18 and  name HA   )(resid   18 and  name HG#  ) 4.0 2.8 2.6 !#
assign (resid   18 and  name HA   )(resid   18 and  name HD#  ) 4.0 3.2 2.0 !#
assign (resid   18 and  name HA   )(resid   21 and  name HN   ) 4.0 2.2 1.0
!RESIDUE 19 LYS INTRARESIDUE
assign (resid   19 and  name HN   )(resid   19 and  name HA   ) 2.5 0.7 0.2
assign (resid   19 and  name HN   )(resid   19 and  name HB#  ) 2.5 1.3 0.8 !#
assign (resid   19 and  name HN   )(resid   19 and  name HG#  ) 4.0 3.2 2.0 !#
assign (resid   19 and  name HN   )(resid   19 and  name HD#  ) 4.0 3.2 3.0 !#
assign (resid   19 and  name HA   )(resid   19 and  name HB#  ) 2.5 1.7 1.2 !#
assign (resid   19 and  name HA   )(resid   19 and  name HG#  ) 4.0 2.8 2.6 !#
assign (resid   19 and  name HA   )(resid   19 and  name HD#  ) 4.0 3.2 2.0 !#
!RESIDUE 20 HIS INTRARESIDUE
assign (resid   20 and  name HN   )(resid   20 and  name HA   ) 3.0 1.2 0.5
assign (resid   20 and  name HN   )(resid   20 and  name HB1  ) 2.5 0.7 0.2
assign (resid   20 and  name HN   )(resid   20 and  name HB2  ) 2.5 0.7 0.2
assign (resid   20 and  name HN   )(resid   20 and  name HD2  ) 4.0 2.2 1.0
assign (resid   20 and  name HA   )(resid   20 and  name HB1  ) 4.0 2.2 1.0
assign (resid   20 and  name HA   )(resid   20 and  name HB2  ) 2.5 0.7 0.2
assign (resid   20 and  name HA   )(resid   20 and  name HE1  ) 4.0 2.2 2.0
assign (resid   20 and  name HB2  )(resid   20 and  name HD2  ) 4.0 2.2 1.0
assign (resid   20 and  name HB1  )(resid   20 and  name HD2  ) 2.5 0.7 0.2
!RESIDUE 21 ILE INTRARESIDUE
assign (resid   21 and  name HN   )(resid   21 and  name HA   ) 3.0 1.2 0.5
assign (resid   21 and  name HN   )(resid   21 and  name HB   ) 2.5 0.7 0.2
assign (resid   21 and  name HN   )(resid   21 and  name HG2# ) 2.5 2.2 1.7 !#
assign (resid   21 and  name HN   )(resid   21 and  name HG1# ) 3.0 2.2 1.5 !#
assign (resid   21 and  name HN   )(resid   21 and  name HD#  ) 4.0 3.7 3.5 !#
assign (resid   21 and  name HA   )(resid   21 and  name HB   ) 3.0 1.2 0.3
assign (resid   21 and  name HA   )(resid   21 and  name HG2# ) 3.0 2.3 1.4 !#
assign (resid   21 and  name HA   )(resid   21 and  name HG1# ) 4.0 2.8 1.6 !#
assign (resid   21 and  name HA   )(resid   21 and  name HD#  ) 4.0 3.7 3.5 !#
!RESIDUE 22 ARG INTRARESIDUE
assign (resid   22 and  name HN   )(resid   22 and  name HA   ) 3.0 1.2 0.5
assign (resid   22 and  name HN   )(resid   22 and  name HB1  ) 4.0 2.2 1.0
assign (resid   22 and  name HN   )(resid   22 and  name HB2  ) 2.5 0.7 0.2
assign (resid   22 and  name HN   )(resid   22 and  name HG#  ) 4.0 3.2 2.0 !#
assign (resid   22 and  name HA   )(resid   22 and  name HB1  ) 2.5 0.7 0.2
assign (resid   22 and  name HA   )(resid   22 and  name HB2  ) 4.0 2.2 1.0
assign (resid   22 and  name HA   )(resid   22 and  name HG#  ) 3.0 1.8 0.9 !#
assign (resid   22 and  name HA   )(resid   22 and  name HD#  ) 4.0 3.2 2.0 !#
!RESIDUE 23 THR INTRARESIDUE
assign (resid   23 and  name HN   )(resid   23 and  name HA   ) 3.0 1.2 0.5
assign (resid   23 and  name HN   )(resid   23 and  name HB   ) 4.0 2.2 1.0
assign (resid   23 and  name HN   )(resid   23 and  name HG2# ) 3.0 2.7 2.0 !#
assign (resid   23 and  name HA   )(resid   23 and  name HB   ) 3.0 1.2 0.3
assign (resid   23 and  name HA   )(resid   23 and  name HG2# ) 2.5 1.8 1.3 !#
!RESIDUE 24 HIS INTRARESIDUE
assign (resid   24 and  name HN   )(resid   24 and  name HA   ) 4.0 2.2 1.0
assign (resid   24 and  name HN   )(resid   24 and  name HB#  ) 3.0 1.8 1.1 !#
assign (resid   24 and  name HN   )(resid   24 and  name HD2  ) 4.0 2.2 1.0
assign (resid   24 and  name HA   )(resid   24 and  name HB#  ) 2.5 1.7 1.2 !#
assign (resid   24 and  name HB#  )(resid   24 and  name HD2  ) 2.5 1.7 1.2 !
!RESIDUE 25 THR INTRARESIDUE
assign (resid   25 and  name HN   )(resid   25 and  name HA   ) 3.0 1.2 0.5
assign (resid   25 and  name HN   )(resid   25 and  name HB   ) 3.0 1.2 0.5
assign (resid   25 and  name HN   )(resid   25 and  name HG2# ) 3.0 2.7 2.0 !#
assign (resid   25 and  name HA   )(resid   25 and  name HB   ) 3.0 1.2 0.3
assign (resid   25 and  name HA   )(resid   25 and  name HG2# ) 2.5 1.8 1.3 !#
!RESIDUE 26 ASP INTRARESIDUE 
assign (resid   26 and  name HN   )(resid   26 and  name HA   ) 3.0 1.2 0.5
assign (resid   26 and  name HN   )(resid   26 and  name HB1  ) 4.0 2.2 1.0
assign (resid   26 and  name HN   )(resid   26 and  name HB2  ) 4.0 2.2 1.0
assign (resid   26 and  name HA   )(resid   26 and  name HB1  ) 3.0 1.2 0.3
assign (resid   26 and  name HA   )(resid   26 and  name HB2  ) 4.0 2.2 1.0
!RESIDUE 27 VAL INTRARESIDUE
assign (resid   27 and  name HN   )(resid   27 and  name HA   ) 3.0 1.2 0.5
assign (resid   27 and  name HN   )(resid   27 and  name HB   ) 2.5 0.7 0.2
assign (resid   27 and  name HN   )(resid   27 and  name HG1# ) 3.0 2.7 2.0 !#
assign (resid   27 and  name HN   )(resid   27 and  name HG2# ) 4.0 3.7 2.5 !#
assign (resid   27 and  name HA   )(resid   27 and  name HB   ) 4.0 2.2 1.0
assign (resid   27 and  name HA   )(resid   27 and  name HG1# ) 3.0 2.3 1.4 !#
assign (resid   27 and  name HA   )(resid   27 and  name HG2# ) 3.0 2.3 1.4 !#


!!N-terminal finger sequential NOEs |i-j|=1
!RESIDUE 1 LYS FORWARD
assign (resid    1 and  name HA   )(resid    2 and  name HN   ) 4.0 2.2 1.0
!RESIDUE 2 TYR INTERESIDUE FORWARD
assign (resid    2 and  name HN   )(resid    3 and  name HN   ) 4.0 2.2 2.0
assign (resid    2 and  name HB2  )(resid    3 and  name HN   ) 4.0 2.2 1.0
assign (resid    2 and  name HB1  )(resid    3 and  name HN   ) 4.0 2.2 1.0
assign (resid    2 and  name HA   )(resid    3 and  name HN   ) 3.0 1.2 0.5
assign (resid    2 and  name HD#  )(resid    3 and  name HN   ) 4.0 4.2 3.0 !
!RESIDUE 3 ILE INTERESIDUE FORWARD
assign (resid    3 and  name HN   )(resid    4 and  name HN   ) 4.0 2.2 1.0
assign (resid    3 and  name HB   )(resid    4 and  name HN   ) 4.0 2.2 1.0
assign (resid    3 and  name HA   )(resid    4 and  name HN   ) 2.5 0.7 0.2
assign (resid    3 and  name HG2# )(resid    4 and  name HN   ) 3.0 2.7 2.0 !
assign (resid    3 and  name HD#  )(resid    4 and  name HN   ) 4.0 3.7 3.5 !
assign (resid    3 and  name HG2# )(resid    4 and  name HA   ) 4.0 3.7 3.5 !
!RESIDUE 4 CYS INTERESIDUE FORWARD
assign (resid    4 and  name HN   )(resid    5 and  name HN   ) 4.0 2.2 2.0
assign (resid    4 and  name HA   )(resid    5 and  name HN   ) 2.5 0.7 0.2
assign (resid    4 and  name HB1  )(resid    5 and  name HN   ) 4.0 2.2 2.0
assign (resid    4 and  name HB2  )(resid    5 and  name HN   ) 4.0 2.2 1.0
!RESIDUE 5 GLU INTERESIDUE FORWARD
assign (resid    5 and  name HN   )(resid    6 and  name HN   ) 3.0 1.2 0.5
assign (resid    5 and  name HB1  )(resid    6 and  name HN   ) 4.0 2.2 1.0
assign (resid    5 and  name HB2  )(resid    6 and  name HN   ) 4.0 2.2 2.0
assign (resid    5 and  name HA   )(resid    6 and  name HN   ) 4.0 2.2 1.0
!RESIDUE 6 GLU INTERESIDUE FORWARD
assign (resid    6 and  name HN   )(resid    7 and  name HN   ) 2.5 0.7 0.2
assign (resid    6 and  name HA   )(resid    7 and  name HN   ) 4.0 2.2 1.0
assign (resid    6 and  name HB1  )(resid    7 and  name HN   ) 3.0 1.2 0.5
assign (resid    6 and  name HB2  )(resid    7 and  name HN   ) 4.0 2.2 1.0
!RESIDUE 7 CYS INTERESIDUE FORWARD
assign (resid    7 and  name HN   )(resid    8 and  name HN   ) 4.0 2.2 1.0
assign (resid    7 and  name HA   )(resid    8 and  name HN   ) 4.0 2.2 1.0
!RESIDUE 8 GLY INTERESIDUE FORWARD
assign (resid    8 and  name HN   )(resid    9 and  name HN   ) 3.0 1.2 0.5
assign (resid    8 and  name HA#  )(resid    9 and  name HN   ) 3.0 2.2 1.5 !
!RESIDUE 9 ILE INTERESIDUE FORWARD
assign (resid    9 and  name HG1# )(resid   10 and  name HN   ) 4.0 3.2 2.0 !
assign (resid    9 and  name HN   )(resid   10 and  name HN   ) 4.0 2.2 2.0
assign (resid    9 and  name HA   )(resid   10 and  name HN   ) 2.5 0.7 0.2
assign (resid    9 and  name HB   )(resid   10 and  name HN   ) 4.0 2.2 1.0
assign (resid    9 and  name HG2# )(resid   10 and  name HN   ) 4.0 3.7 2.5 !
assign (resid    9 and  name HG2# )(resid   10 and  name HA   ) 4.0 3.7 3.5 !
assign (resid    9 and  name HD#  )(resid   10 and  name HA   ) 4.0 3.7 3.5 !
assign (resid    9 and  name HD#  )(resid   10 and  name HN   ) 4.0 3.7 3.5 !
!RESIDUE 10 ARG INTERESIDUE FORWARD
assign (resid   10 and  name HN   )(resid   11 and  name HN   ) 4.0 2.2 2.0
assign (resid   10 and  name HA   )(resid   11 and  name HN   ) 2.5 0.7 0.2
assign (resid   10 and  name HB2  )(resid   11 and  name HN   ) 4.0 2.2 1.0
assign (resid   10 and  name HB1  )(resid   11 and  name HN   ) 4.0 2.2 2.0
!RESIDUE 11 ABU INTERESIDUE FORWARD
assign (resid   11 and  name HA   )(resid   12 and  name HN   ) 2.5 0.7 0.2
assign (resid   11 and  name HB2  )(resid   12 and  name HN   ) 4.0 2.2 1.0
assign (resid   11 and  name HB1  )(resid   12 and  name HN   ) 4.0 2.2 1.0
assign (resid   11 and  name HG#  )(resid   12 and  name HN   ) 4.0 3.2 3.0 !
!RESIDUE 12 LYS INTERRESIDUE FORWARD
assign (resid   12 and  name HN   )(resid   13 and  name HN   ) 4.0 2.2 1.0
assign (resid   12 and  name HA   )(resid   13 and  name HN   ) 3.0 1.2 0.5
assign (resid   12 and  name HB1  )(resid   13 and  name HN   ) 4.0 2.2 1.0
assign (resid   12 and  name HB2  )(resid   13 and  name HN   ) 4.0 2.2 1.0
!Residue 13 LYS INTERRESIDUE FORWARD
assign (resid   13 and  name HA   )(resid   14 and  name HD#  ) 2.5 1.7 1.2 !#
assign (resid   13 and  name HB1  )(resid   14 and  name HD#  ) 4.0 3.2 3.0 !#
!RESIDUE 14 PRO INTERESIDUE FORWARD
!RESIDUE 15 SER INTERESIDUE FORWARD
assign (resid   15 and  name HA   )(resid   16 and  name HN   ) 4.0 2.2 1.0
!RESIDUE 16 MET INTERRESIDUE FORWARD
assign (resid   16 and  name HN   )(resid   17 and  name HN   ) 2.5 0.7 0.2
assign (resid   16 and  name HB1  )(resid   17 and  name HN   ) 4.0 2.2 1.0
assign (resid   16 and  name HB2  )(resid   17 and  name HN   ) 3.0 1.2 0.5
assign (resid   16 and  name HG#  )(resid   17 and  name HN   ) 4.0 3.2 3.0 !
assign (resid   16 and  name HA   )(resid   17 and  name HN   ) 4.0 2.2 1.0
!RESIDUE 17 LEU INTERRESIDUE FORWARD
assign (resid   17 and  name HN   )(resid   18 and  name HN   ) 2.5 0.7 0.2
assign (resid   17 and  name HA   )(resid   18 and  name HN   ) 4.0 2.2 1.0
assign (resid   17 and  name HB1  )(resid   18 and  name HN   ) 2.5 0.7 0.2
assign (resid   17 and  name HB2  )(resid   18 and  name HN   ) 4.0 2.2 1.0
assign (resid   17 and  name HD1# )(resid   18 and  name HA   ) 4.0 3.7 3.5 !
assign (resid   17 and  name HD1# )(resid   18 and  name HN   ) 4.0 3.7 3.5 !
assign (resid   17 and  name HD2# )(resid   18 and  name HN   ) 4.0 3.7 3.5 !
!RESIDUE 18 LYS INTERRESIDUE FORWARD
assign (resid   18 and  name HN   )(resid   19 and  name HN   ) 3.0 1.2 0.5
assign (resid   18 and  name HA   )(resid   19 and  name HN   ) 4.0 2.2 2.0
assign (resid   18 and  name HB#  )(resid   19 and  name HN   ) 2.5 1.7 1.2 !
!RESIDUE 19 LYS INTERRESIDUE FORWARD
assign (resid   19 and  name HN   )(resid   20 and  name HN   ) 3.0 1.2 0.5
assign (resid   19 and  name HA   )(resid   20 and  name HN   ) 4.0 2.2 1.0
assign (resid   19 and  name HB#  )(resid   20 and  name HN   ) 4.0 3.2 2.0 !
!RESIDUE 20 HIS INTERRESIDUE FORWARD
assign (resid   20 and  name HN   )(resid   21 and  name HN   ) 2.5 0.7 0.2
assign (resid   20 and  name HA   )(resid   21 and  name HN   ) 4.0 2.2 1.0
assign (resid   20 and  name HB1  )(resid   21 and  name HN   ) 3.0 1.2 0.5
assign (resid   20 and  name HB2  )(resid   21 and  name HN   ) 4.0 2.2 1.0
assign (resid   20 and  name HD2  )(resid   21 and  name HA   ) 4.0 2.2 1.0
assign (resid   20 and  name HD2  )(resid   21 and  name HD#  ) 4.0 3.7 2.5 !#
assign (resid   20 and  name HD2  )(resid   21 and  name HB   ) 4.0 2.2 1.0
assign (resid   20 and  name HD2  )(resid   21 and  name HN   ) 3.0 1.2 0.5
!RESIDUE 21 ILE INTERRESIDUE FORWARD
assign (resid   21 and  name HN   )(resid   22 and  name HN   ) 2.5 0.7 0.2
assign (resid   21 and  name HB   )(resid   22 and  name HN   ) 4.0 2.2 1.0
assign (resid   21 and  name HG2# )(resid   22 and  name HN   ) 4.0 3.7 3.5 !
assign (resid   21 and  name HA   )(resid   22 and  name HN   ) 4.0 2.2 1.0
!RESIDUE 22 ARG INTERRESIDUE FORWARD
assign (resid   22 and  name HN   )(resid   23 and  name HN   ) 2.5 0.7 0.2
assign (resid   22 and  name HA   )(resid   23 and  name HN   ) 3.0 1.2 0.5
assign (resid   22 and  name HB1  )(resid   23 and  name HN   ) 4.0 2.2 1.0
assign (resid   22 and  name HB2  )(resid   23 and  name HN   ) 4.0 2.2 1.0
!RESIDUE 23 THR INTERRESIDUE FORWARD
assign (resid   23 and  name HN   )(resid   24 and  name HN   ) 2.5 0.7 0.2
assign (resid   23 and  name HA   )(resid   24 and  name HN   ) 4.0 2.2 1.0
!RESIDUE 24 HIS INTERRESIDUE FORWARD
assign (resid   24 and  name HN   )(resid   25 and  name HN   ) 3.0 1.2 0.5
assign (resid   24 and  name HA   )(resid   25 and  name HN   ) 3.0 1.2 0.5
assign (resid   24 and  name HB#  )(resid   25 and  name HN   ) 3.0 2.2 1.5 !
!RESIDUE 25 THR INTERRESIDUE FORWARD
assign (resid   25 and  name HN   )(resid   26 and  name HN   ) 3.0 1.2 0.5
assign (resid   25 and  name HA   )(resid   26 and  name HN   ) 4.0 2.2 1.0
assign (resid   25 and  name HB   )(resid   26 and  name HN   ) 4.0 2.2 1.0
assign (resid   25 and  name HG2# )(resid   26 and  name HN   ) 4.0 3.7 2.5 !
!RESIDUE 26 ASP INTERRESIDUE FORWARD
assign (resid   26 and  name HA   )(resid   27 and  name HN   ) 2.5 0.7 0.2
assign (resid   26 and  name HN   )(resid   27 and  name HN   ) 4.0 2.2 1.0
assign (resid   26 and  name HB1  )(resid   27 and  name HN   ) 4.0 2.2 1.0
assign (resid   26 and  name HB2  )(resid   27 and  name HN   ) 4.0 2.2 2.0
assign (resid   26 and  name HA   )(resid   27 and  name HN   ) 3.0 1.2 0.5
assign (resid   26 and  name HA   )(resid   27 and  name HG1# ) 4.0 3.7 2.5 !#

!!N-terminal finger medium range NOEs 1 < |I-j|<=5
!RESIDUE 1 LYS FORWARD
!RESIDUE 2 TYR INTERESIDUE FORWARD
!RESIDUE 3 ILE INTERESIDUE FORWARD
assign (resid    3 and  name HG2# )(resid    5 and  name HA   ) 4.0 3.7 3.5 !
assign (resid    3 and  name HG2# )(resid    8 and  name HA#  ) 3.0 3.7 2.8 ! !#
assign (resid    3 and  name HG2# )(resid    8 and  name HN   ) 4.0 3.7 3.5 !
!RESIDUE 4 CYS INTERESIDUE FORWARD
assign (resid    4 and  name HA   )(resid    6 and  name HN   ) 4.0 2.2 1.0
assign (resid    4 and  name HB1  )(resid    6 and  name HN   ) 4.0 2.2 2.0
assign (resid    4 and  name HB2  )(resid    7 and  name HN   ) 4.0 2.2 1.0
assign (resid    4 and  name HB1  )(resid    7 and  name HB1  ) 4.0 2.2 1.0
assign (resid    4 and  name HB1  )(resid    8 and  name HN   ) 4.0 2.2 1.0
assign (resid    4 and  name HN   )(resid    8 and  name HN   ) 4.0 2.2 1.0
assign (resid    4 and  name HB2  )(resid    8 and  name HN   ) 4.0 2.2 1.0
assign (resid    4 and  name HB1  )(resid    9 and  name HN   ) 4.0 2.2 1.0
assign (resid    4 and  name HN   )(resid    9 and  name HB   ) 4.0 2.2 1.0
assign (resid    4 and  name HB2  )(resid    9 and  name HN   ) 4.0 2.2 1.0
assign (resid    4 and  name HA   )(resid    8 and  name HN   ) 4.0 2.2 1.0
assign (resid    4 and  name HA   )(resid    9 and  name HN   ) 4.0 2.2 1.0
assign (resid    4 and  name HN   )(resid    9 and  name HG2# ) 4.0 3.7 2.5 !#
assign (resid    4 and  name HB1  )(resid    9 and  name HG1# ) 4.0 3.2 3.0 !#
assign (resid    4 and  name HB1  )(resid    9 and  name HG2# ) 3.0 2.7 1.8 !#
assign (resid    4 and  name HB2  )(resid    9 and  name HG2# ) 3.0 2.7 1.8 !#
assign (resid    4 and  name HB1  )(resid    9 and  name HD#  ) 4.0 3.7 3.5 !#
assign (resid    4 and  name HN   )(resid    9 and  name HN   ) 4.0 2.2 1.0
!RESIDUE 5 GLU INTERESIDUE FORWARD
assign (resid    5 and  name HA   )(resid    8 and  name HN   ) 4.0 2.2 1.0
assign (resid    5 and  name HN   )(resid    7 and  name HN   ) 4.0 2.2 1.0
!RESIDUE 6 GLU INTERESIDUE FORWARD
assign (resid    6 and  name HN   )(resid    8 and  name HN   ) 4.0 2.2 1.0
!RESIDUE 7 CYS INTERESIDUE FORWARD
!RESIDUE 8 GLY INTERESIDUE FORWARD
!RESIDUE 9 ILE INTERESIDUE FORWARD
assign (resid    9 and  name HD#  )(resid   11 and  name HA   ) 4.0 3.7 3.5 !
assign (resid    9 and  name HG2# )(resid   11 and  name HG#  ) 4.0 4.7 3.5 ! !#
assign (resid    9 and  name HD#  )(resid   11 and  name HG#  ) 4.0 4.7 3.5 ! !#
assign (resid    9 and  name HG2# )(resid   11 and  name HB2  ) 4.0 3.7 2.5 !
assign (resid    9 and  name HG1# )(resid   11 and  name HG#  ) 3.0 3.2 2.3 ! !#
!RESIDUE 10 ARG INTERESIDUE FORWARD
!RESIDUE 11 ABU INTERESIDUE FORWARD
assign (resid   11 and  name HB1  )(resid   13 and  name HN   ) 4.0 2.2 1.0
assign (resid   11 and  name HA   )(resid   13 and  name HB2  ) 4.0 2.2 1.0
assign (resid   11 and  name HA   )(resid   13 and  name HN   ) 4.0 2.2 1.0
assign (resid   11 and  name HB1  )(resid   16 and  name HB1  ) 4.0 2.2 2.0
assign (resid   11 and  name HB1  )(resid   16 and  name HB2  ) 4.0 2.2 2.0
assign (resid   11 and  name HB2  )(resid   16 and  name HB1  ) 4.0 2.2 2.0
assign (resid   11 and  name HG#  )(resid   16 and  name HG#  ) 4.0 4.2 4.0 ! !#
assign (resid   11 and  name HG#  )(resid   16 and  name HB1  ) 4.0 3.2 2.0 !
assign (resid   11 and  name HG#  )(resid   16 and  name HB2  ) 4.0 3.2 2.0 !
assign (resid   11 and  name HG#  )(resid   16 and  name HA   ) 4.0 3.2 3.0 !
assign (resid   11 and  name HG#  )(resid   16 and  name HE#  ) 4.0 4.7 3.5 ! !#
assign (resid   11 and  name HB1  )(resid   16 and  name HG#  ) 4.0 3.2 3.0 !#
!RESIDUE 12 LYS INTERRESIDUE FORWARD
!Residue 13 LYS INTERRESIDUE FORWARD
assign (resid   13 and  name HA   )(resid   15 and  name HN   ) 4.0 2.2 1.0
assign (resid   13 and  name HN   )(resid   16 and  name HB1  ) 4.0 2.2 2.0
assign (resid   13 and  name HN   )(resid   16 and  name HB2  ) 4.0 2.2 1.0
assign (resid   13 and  name HG#  )(resid   16 and  name HN   ) 4.0 3.2 2.0 !
assign (resid   13 and  name HB2  )(resid   16 and  name HN   ) 4.0 2.2 1.0
assign (resid   13 and  name HB1  )(resid   16 and  name HG#  ) 4.0 3.2 3.0 !#
assign (resid   13 and  name HB2  )(resid   16 and  name HB2  ) 4.0 2.2 1.0
!RESIDUE 14 PRO INTERESIDUE FORWARD
assign (resid   14 and  name HA   )(resid   17 and  name HD1# ) 4.0 3.7 2.5 !#
assign (resid   14 and  name HA   )(resid   17 and  name HB2  ) 4.0 2.2 2.0
assign (resid   14 and  name HA   )(resid   17 and  name HB1  ) 3.0 1.2 0.3
assign (resid   14 and  name HA   )(resid   17 and  name HN   ) 4.0 2.2 1.0
assign (resid   14 and  name HA   )(resid   17 and  name HG   ) 4.0 2.2 2.0
assign (resid   14 and  name HA   )(resid   18 and  name HN   ) 4.0 2.2 1.0
assign (resid   14 and  name HA   )(resid   18 and  name HA   ) 4.0 2.2 1.0
!RESIDUE 15 SER INTERESIDUE FORWARD
assign (resid   15 and  name HA   )(resid   17 and  name HN   ) 4.0 2.2 2.0
assign (resid   15 and  name HA   )(resid   18 and  name HN   ) 4.0 2.2 1.0
assign (resid   15 and  name HA   )(resid   18 and  name HB#  ) 3.0 2.2 1.3 !#
assign (resid   15 and  name HA   )(resid   18 and  name HD#  ) 4.0 3.2 3.0 !#
assign (resid   15 and  name HA   )(resid   19 and  name HN   ) 4.0 2.2 2.0
assign (resid   15 and  name HA   )(resid   18 and  name HE#  ) 4.0 3.2 2.0 !#
assign (resid   15 and  name HA   )(resid   18 and  name HG#  ) 3.0 2.2 1.3 !#
!RESIDUE 16 MET INTERRESIDUE FORWARD
assign (resid   16 and  name HA   )(resid   18 and  name HN   ) 4.0 2.2 2.0
assign (resid   16 and  name HN   )(resid   18 and  name HN   ) 4.0 2.2 1.0
assign (resid   16 and  name HA   )(resid   19 and  name HB#  ) 3.0 2.2 2.0 !#
assign (resid   16 and  name HA   )(resid   19 and  name HG#  ) 4.0 3.2 3.0 !#
assign (resid   16 and  name HA   )(resid   19 and  name HN   ) 4.0 2.2 1.0
assign (resid   16 and  name HA   )(resid   19 and  name HD#  ) 4.0 3.2 2.0 !#
assign (resid   16 and  name HA   )(resid   20 and  name HN   ) 4.0 2.2 2.0
!RESIDUE 17 LEU INTERRESIDUE FORWARD
assign (resid   17 and  name HN   )(resid   19 and  name HN   ) 4.0 2.2 1.0
assign (resid   17 and  name HD1# )(resid   20 and  name HB1  ) 4.0 3.7 2.5 !
assign (resid   17 and  name HA   )(resid   20 and  name HN   ) 3.0 1.2 0.5
assign (resid   17 and  name HD2# )(resid   20 and  name HN   ) 4.0 3.7 2.5 !
assign (resid   17 and  name HA   )(resid   20 and  name HB1  ) 3.0 1.2 0.3
assign (resid   17 and  name HA   )(resid   20 and  name HB2  ) 3.0 1.2 0.3
assign (resid   17 and  name HD2# )(resid   20 and  name HB1  ) 4.0 3.7 3.5 !
assign (resid   17 and  name HD2# )(resid   20 and  name HB2  ) 4.0 3.7 3.5 !
assign (resid   17 and  name HD2# )(resid   20 and  name HD2  ) 3.0 2.7 1.8 !
assign (resid   17 and  name HD1# )(resid   20 and  name HD2  ) 4.0 3.7 3.5 !
assign (resid   17 and  name HD2# )(resid   20 and  name HE1  ) 4.0 3.7 3.5 !
assign (resid   17 and  name HD1# )(resid   20 and  name HE1  ) 4.0 3.7 3.5 !
assign (resid   17 and  name HD#  )(resid   21 and  name HA   ) 4.0 4.6 4.4 !
assign (resid   17 and  name HA   )(resid   21 and  name HN   ) 4.0 2.2 1.0
assign (resid   17 and  name HD2# )(resid   21 and  name HN   ) 4.0 3.7 3.5 !
assign (resid   17 and  name HD2# )(resid   21 and  name HD#  ) 4.0 5.2 5.0 ! !#
assign (resid   17 and  name HD2# )(resid   21 and  name HB   ) 4.0 3.7 3.5 !
!RESIDUE 18 LYS INTERRESIDUE FORWARD
assign (resid   18 and  name HN   )(resid   20 and  name HN   ) 4.0 2.2 1.0
assign (resid   18 and  name HA   )(resid   21 and  name HD#  ) 4.0 3.7 2.5 !#
assign (resid   18 and  name HA   )(resid   21 and  name HG2# ) 4.0 3.7 3.5 !#
assign (resid   18 and  name HA   )(resid   21 and  name HG1# ) 4.0 3.2 3.0 !#
assign (resid   18 and  name HA   )(resid   21 and  name HB   ) 4.0 2.2 1.0
assign (resid   18 and  name HA   )(resid   21 and  name HN   ) 4.0 2.2 1.0
!RESIDUE 19 LYS INTERRESIDUE FORWARD
assign (resid   19 and  name HA   )(resid   22 and  name HN   ) 4.0 2.2 1.0
assign (resid   19 and  name HA   )(resid   22 and  name HB1  ) 4.0 2.2 2.0
assign (resid   19 and  name HA   )(resid   22 and  name HB2  ) 4.0 2.2 2.0
assign (resid   19 and  name HA   )(resid   22 and  name HG#  ) 4.0 3.2 3.0 !#
assign (resid   19 and  name HA   )(resid   22 and  name HD#  ) 3.0 2.2 1.3 !#
!RESIDUE 20 HIS INTERRESIDUE FORWARD
assign (resid   20 and  name HN   )(resid   22 and  name HN   ) 4.0 2.2 1.0
assign (resid   20 and  name HA   )(resid   23 and  name HN   ) 4.0 2.2 1.0
assign (resid   20 and  name HA   )(resid   23 and  name HB   ) 4.0 2.2 1.0
assign (resid   20 and  name HA   )(resid   23 and  name HG2# ) 4.0 3.7 2.5 !#
assign (resid   20 and  name HD2  )(resid   24 and  name HD2  ) 3.0 1.2 0.3
assign (resid   20 and  name HA   )(resid   22 and  name HN   ) 4.0 2.2 1.0
!RESIDUE 21 ILE INTERRESIDUE FORWARD
assign (resid   21 and  name HA   )(resid   23 and  name HN   ) 4.0 2.2 1.0
assign (resid   21 and  name HN   )(resid   23 and  name HN   ) 4.0 2.2 1.0
assign (resid   21 and  name HN   )(resid   24 and  name HD2  ) 4.0 2.2 1.0
assign (resid   21 and  name HB   )(resid   24 and  name HD2  ) 4.0 2.2 2.0
assign (resid   21 and  name HG1# )(resid   24 and  name HD2  ) 4.0 3.2 2.0 !
assign (resid   21 and  name HG2# )(resid   24 and  name HD2  ) 4.0 3.7 2.5 !
assign (resid   21 and  name HD#  )(resid   24 and  name HD2  ) 4.0 3.7 2.5 !
assign (resid   21 and  name HD#  )(resid   24 and  name HB#  ) 3.0 3.7 2.8 ! !#
assign (resid   21 and  name HA   )(resid   24 and  name HB#  ) 4.0 3.2 3.0 !#
assign (resid   21 and  name HA   )(resid   24 and  name HD2  ) 2.5 0.7 0.2
assign (resid   21 and  name HA   )(resid   24 and  name HN   ) 4.0 2.2 1.0
!RESIDUE 22 ARG INTERRESIDUE FORWARD
assign (resid   22 and  name HA   )(resid   24 and  name HN   ) 4.0 2.2 1.0
assign (resid   22 and  name HA   )(resid   25 and  name HB   ) 4.0 2.2 1.0
assign (resid   22 and  name HA   )(resid   25 and  name HG2# ) 4.0 3.7 2.5 !#
assign (resid   22 and  name HN   )(resid   25 and  name HG2# ) 4.0 3.7 2.5 !#
assign (resid   22 and  name HA   )(resid   25 and  name HN   ) 4.0 2.2 1.0
!RESIDUE 23 THR INTERRESIDUE FORWARD
assign (resid   23 and  name HA   )(resid   25 and  name HN   ) 4.0 2.2 1.0
assign (resid   23 and  name HN   )(resid   25 and  name HN   ) 4.0 2.2 1.0
assign (resid   23 and  name HA   )(resid   26 and  name HN   ) 4.0 2.2 1.0
assign (resid   23 and  name HA   )(resid   27 and  name HG1# ) 3.0 2.7 1.8 !#
assign (resid   23 and  name HA   )(resid   27 and  name HN   ) 4.0 2.2 1.0
assign (resid   23 and  name HG2# )(resid   27 and  name HN   ) 4.0 3.7 2.5 !
assign (resid   23 and  name HG2# )(resid   27 and  name HN   ) 4.0 3.7 2.5 !
!RESIDUE 24 HIS INTERRESIDUE FORWARD
assign (resid   24 and  name HA   )(resid   27 and  name HG1# ) 4.0 3.7 3.5 !#
!RESIDUE 25 THR INTERRESIDUE FORWARD
assign (resid   25 and  name HB   )(resid   27 and  name HG1# ) 3.0 2.7 1.8 !#
assign (resid   25 and  name HB   )(resid   27 and  name HN   ) 4.0 2.2 1.0
assign (resid   25 and  name HA   )(resid   27 and  name HN   ) 4.0 2.2 1.0
assign (resid   25 and  name HN   )(resid   27 and  name HN   ) 3.0 1.2 0.5
!RESIDUE 26 ASP INTERRESIDUE FORWARD
!RESIDUE 27 VAL INTERRESIDUE FORWARD

!!N-terminal finger long range NOEs |i-j|>5
!RESIDUE 2 TYR INTERESIDUE FORWARD
assign (resid    2 and  name HB1  )(resid   11 and  name HG#  ) 4.0 3.2 3.0 !#
assign (resid    2 and  name HB2  )(resid   11 and  name HB1  ) 4.0 2.2 2.0
assign (resid    2 and  name HB2  )(resid   11 and  name HB2  ) 4.0 2.2 2.0
assign (resid    2 and  name HD#  )(resid   11 and  name HG#  ) 4.0 5.2 5.0 ! !#
assign (resid    2 and  name HD#  )(resid   11 and  name HB2  ) 4.0 4.2 4.0 !
assign (resid    2 and  name HB1  )(resid   11 and  name HN   ) 4.0 2.2 1.0
assign (resid    2 and  name HN   )(resid   12 and  name HA   ) 4.0 2.2 2.0
assign (resid    2 and  name HD#  )(resid   12 and  name HA   ) 3.0 3.2 2.3 !
assign (resid    2 and  name HE#  )(resid   12 and  name HA   ) 4.0 4.2 4.0 !
assign (resid    2 and  name HB2  )(resid   12 and  name HA   ) 4.0 2.2 2.0
assign (resid    2 and  name HB1  )(resid   13 and  name HA   ) 4.0 2.2 2.0
assign (resid    2 and  name HD#  )(resid   13 and  name HA   ) 4.0 4.2 3.0 !
assign (resid    2 and  name HE#  )(resid   13 and  name HA   ) 4.0 4.2 3.0 !
assign (resid    2 and  name HA   )(resid   14 and  name HA   ) 4.0 2.2 2.0
assign (resid    2 and  name HD2  )(resid   14 and  name HA   ) 3.0 1.2 0.3
assign (resid    2 and  name HE2  )(resid   14 and  name HA   ) 4.0 2.2 2.0
assign (resid    2 and  name HD2  )(resid   14 and  name HD2  ) 4.0 3.2 3.0 !#
assign (resid    2 and  name HD2  )(resid   14 and  name HD1  ) 4.0 3.2 3.0 !#
assign (resid    2 and  name HE2  )(resid   14 and  name HD2  ) 3.0 2.2 1.3 !#
assign (resid    2 and  name HE2  )(resid   14 and  name HD1  ) 4.0 3.2 3.0 !#
assign (resid    2 and  name HD2  )(resid   14 and  name HB1  ) 4.0 2.2 2.0
assign (resid    2 and  name HE2  )(resid   14 and  name HB1  ) 4.0 2.2 2.0
assign (resid    2 and  name HD2  )(resid   14 and  name HG#  ) 4.0 3.2 3.0 !#
assign (resid    2 and  name HE2  )(resid   14 and  name HG#  ) 4.0 3.2 3.0 !#
assign (resid    2 and  name HD2  )(resid   14 and  name HB2  ) 4.0 2.2 2.0
assign (resid    2 and  name HE2  )(resid   14 and  name HB2  ) 4.0 2.2 2.0
assign (resid    2 and  name HA   )(resid   17 and  name HA   ) 4.0 2.2 2.2
assign (resid    2 and  name HA   )(resid   17 and  name HD1# ) 3.0 2.7 1.8 !#
assign (resid    2 and  name HA   )(resid   17 and  name HB1  ) 4.0 2.2 1.0
assign (resid    2 and  name HB2  )(resid   17 and  name HG   ) 4.0 2.2 1.0
assign (resid    2 and  name HA   )(resid   17 and  name HA   ) 4.0 2.2 2.0
assign (resid    2 and  name HA   )(resid   17 and  name HD2# ) 4.0 3.7 2.5 !#
assign (resid    2 and  name HB2  )(resid   17 and  name HD1# ) 4.0 3.7 3.5 !#
assign (resid    2 and  name HB1  )(resid   17 and  name HD1# ) 3.0 2.7 1.8 !#
assign (resid    2 and  name HB1  )(resid   17 and  name HD2# ) 4.0 3.7 3.5 !#
assign (resid    2 and  name HB1  )(resid   17 and  name HB1  ) 4.0 2.2 2.0
assign (resid    2 and  name HB1  )(resid   17 and  name HB2  ) 4.0 2.2 2.0
assign (resid    2 and  name HD2  )(resid   17 and  name HB1  ) 4.0 2.2 1.0
assign (resid    2 and  name HE2  )(resid   17 and  name HB1  ) 4.0 2.2 1.0
assign (resid    2 and  name HD2  )(resid   17 and  name HD1# ) 3.0 2.7 1.8 !#
assign (resid    2 and  name HE2  )(resid   17 and  name HD1# ) 4.0 3.7 2.5 !#
assign (resid    2 and  name HD2  )(resid   17 and  name HD2# ) 4.0 3.7 3.5 !#
assign (resid    2 and  name HA   )(resid   17 and  name HG#  ) 4.0 2.2 1.0
assign (resid    2 and  name HA   )(resid   17 and  name HB1  ) 4.0 2.2 1.0
!RESIDUE 3 ILE INTERESIDUE FORWARD
assign (resid    3 and  name HG2# )(resid    9 and  name HG2# ) 4.0 5.2 5.0 ! !#
assign (resid    3 and  name HG2# )(resid   10 and  name HN   ) 4.0 3.7 3.5 !
assign (resid    3 and  name HG1# )(resid   10 and  name HN   ) 4.0 3.2 3.0 !
assign (resid    3 and  name HA   )(resid   10 and  name HA   ) 4.0 2.2 1.0
assign (resid    3 and  name HG1# )(resid   10 and  name HA   ) 4.0 3.2 3.0 !
assign (resid    3 and  name HG1# )(resid   10 and  name HA   ) 4.0 3.2 3.0 !
assign (resid    3 and  name HD#  )(resid   10 and  name HG#  ) 4.0 4.7 3.5 ! !#
assign (resid    3 and  name HD#  )(resid   10 and  name HA   ) 4.0 3.7 2.5 !
assign (resid    3 and  name HG1# )(resid   10 and  name HD#  ) 4.0 4.2 3.0 ! !#
assign (resid    3 and  name HG2# )(resid   10 and  name HA   ) 4.0 3.7 2.5 !
assign (resid    3 and  name HA   )(resid   10 and  name HD#  ) 4.0 3.2 2.0 !#
assign (resid    3 and  name HG1# )(resid   10 and  name HD#  ) 4.0 4.2 4.0 ! !#
assign (resid    3 and  name HD#  )(resid   10 and  name HD#  ) 4.0 4.7 3.5 ! !#
assign (resid    3 and  name HG2# )(resid   10 and  name HD#  ) 4.0 4.7 4.5 ! !#
assign (resid    3 and  name HB   )(resid   10 and  name HA   ) 4.0 2.2 2.0
assign (resid    3 and  name HG2# )(resid   10 and  name HB#  ) 4.0 4.7 3.5 ! !#
assign (resid    3 and  name HA   )(resid   11 and  name HN   ) 4.0 2.2 1.0
assign (resid    3 and  name HA   )(resid   17 and  name HD1# ) 4.0 3.7 3.5 !#
assign (resid    3 and  name HA   )(resid   17 and  name HD2# ) 4.0 3.7 3.5 !#
assign (resid    3 and  name HN   )(resid   17 and  name HD2# ) 4.0 3.7 3.5 !#
assign (resid    3 and  name HG1# )(resid   10 and  name HG#  ) 4.0 4.2 3.0 ! !#
assign (resid    3 and  name HA   )(resid   10 and  name HG#  ) 4.0 3.2 2.0 !#
!RESIDUE 4 CYS INTERESIDUE FORWARD
assign (resid    4 and  name HN   )(resid   10 and  name HA   ) 4.0 2.2 1.0
assign (resid    4 and  name HA   )(resid   17 and  name HD2# ) 4.0 3.7 2.5 !#
assign (resid    4 and  name HA   )(resid   17 and  name HD1# ) 4.0 3.7 3.5 !#
assign (resid    4 and  name HB1  )(resid   17 and  name HD2# ) 4.0 3.7 3.5 !#
assign (resid    4 and  name HB2  )(resid   17 and  name HD1# ) 4.0 3.7 3.5 !#
assign (resid    4 and  name HB2  )(resid   17 and  name HD2# ) 4.0 3.7 2.5 !#
assign (resid    4 and  name HN   )(resid   17 and  name HD2# ) 4.0 3.7 2.5 !#
assign (resid    4 and  name HN   )(resid   17 and  name HD1# ) 4.0 3.7 3.5 !#
assign (resid    4 and  name HA   )(resid   20 and  name HD2  ) 4.0 2.2 1.0
assign (resid    4 and  name HB1  )(resid   20 and  name HD2  ) 4.0 2.2 1.0
assign (resid    4 and  name HB2  )(resid   20 and  name HD2  ) 4.0 2.2 1.0
assign (resid    4 and  name HA   )(resid   21 and  name HD#  ) 3.0 2.7 1.8 !#
assign (resid    4 and  name HB1  )(resid   21 and  name HA   ) 4.0 2.2 2.0
assign (resid    4 and  name HB2  )(resid   21 and  name HD#  ) 4.0 3.7 3.5 !#
!RESIDUE 5 GLU INTERESIDUE FORWARD
assign (resid    5 and  name HN   )(resid   17 and  name HD2# ) 4.0 3.7 2.5 !#
!RESIDUE 6 GLU INTERESIDUE FORWARD
assign (resid    6 and  name HB2  )(resid   24 and  name HD2  ) 4.0 2.2 2.0
assign (resid    6 and  name HB1  )(resid   24 and  name HD2  ) 4.0 2.2 1.0
assign (resid    6 and  name HB2  )(resid   24 and  name HE1  ) 4.0 2.2 2.0
assign (resid    6 and  name HB1  )(resid   24 and  name HE1  ) 4.0 2.2 2.0
assign (resid    6 and  name HG#  )(resid   24 and  name HE1  ) 4.0 3.2 3.0 !
!RESIDUE 7 CYS INTERESIDUE FORWARD
assign (resid    7 and  name HA   )(resid   24 and  name HE1  ) 4.0 2.2 1.0
assign (resid    7 and  name HB1  )(resid   24 and  name HE1  ) 4.0 2.2 1.0
assign (resid    7 and  name HB2  )(resid   24 and  name HE1  ) 4.0 2.2 1.0
!RESIDUE 8 GLY INTERESIDUE FORWARD
!RESIDUE 9 ILE INTERESIDUE FORWARD
assign (resid    9 and  name HG1# )(resid   17 and  name HD2# ) 4.0 4.7 3.5 ! !#
assign (resid    9 and  name HG2# )(resid   17 and  name HD2# ) 4.0 5.2 4.0 ! !#
assign (resid    9 and  name HA   )(resid   20 and  name HE1  ) 4.0 2.2 1.0
assign (resid    9 and  name HB   )(resid   20 and  name HE1  ) 4.0 2.2 2.0
assign (resid    9 and  name HG1# )(resid   20 and  name HE1  ) 4.0 3.2 2.0 !
assign (resid    9 and  name HG2# )(resid   20 and  name HE1  ) 4.0 3.7 2.5 !
assign (resid    9 and  name HD#  )(resid   20 and  name HE1  ) 4.0 3.7 2.5 !
assign (resid    9 and  name HB   )(resid   20 and  name HD2  ) 4.0 2.2 2.0
assign (resid    9 and  name HG1# )(resid   20 and  name HD2  ) 4.0 3.2 3.0 !
assign (resid    9 and  name HG2# )(resid   20 and  name HD2  ) 4.0 3.7 3.5 !
assign (resid    9 and  name HD#  )(resid   20 and  name HD2  ) 4.0 3.7 3.5 !
assign (resid    9 and  name HD#  )(resid   20 and  name HB2  ) 4.0 3.7 3.5 !
!RESIDUE 10 ARG INTERESIDUE FORWARD
!RESIDUE 11 ABU INTERESIDUE FORWARD
assign (resid   11 and  name HB1  )(resid   17 and  name HB2  ) 4.0 2.2 1.0
assign (resid   11 and  name HB2  )(resid   17 and  name HB2  ) 3.0 1.2 0.3
assign (resid   11 and  name HN   )(resid   17 and  name HD2# ) 4.0 3.7 2.5 !#
assign (resid   11 and  name HB2  )(resid   17 and  name HD2# ) 4.0 3.7 2.5 !#
assign (resid   11 and  name HB1  )(resid   17 and  name HN   ) 4.0 2.2 1.0
assign (resid   11 and  name HG#  )(resid   17 and  name HA   ) 3.0 2.2 1.3 !
assign (resid   11 and  name HG#  )(resid   17 and  name HN   ) 4.0 3.2 2.0 !
assign (resid   11 and  name HB2  )(resid   17 and  name HA   ) 3.0 1.2 0.3
assign (resid   11 and  name HG#  )(resid   17 and  name HD1# ) 4.0 4.7 4.5 ! !#
assign (resid   11 and  name HG#  )(resid   17 and  name HD2# ) 4.0 4.7 4.5 ! !#
assign (resid   11 and  name HG#  )(resid   17 and  name HB1  ) 4.0 3.2 2.0 !
assign (resid   11 and  name HG#  )(resid   20 and  name HA   ) 4.0 3.2 3.0 !
assign (resid   11 and  name HG#  )(resid   20 and  name HB1  ) 4.0 3.2 3.0 !
assign (resid   11 and  name HG#  )(resid   20 and  name HB2  ) 4.0 3.2 2.0 !
assign (resid   11 and  name HG#  )(resid   20 and  name HN   ) 4.0 3.2 3.0 !
!RESIDUE 12 LYS INTERRESIDUE FORWARD
!Residue 13 LYS INTERRESIDUE FORWARD
!RESIDUE 14 PRO INTERESIDUE FORWARD
!RESIDUE 15 SER INTERESIDUE FORWARD
!RESIDUE 16 MET INTERRESIDUE FORWARD
!RESIDUE 17 LEU INTERRESIDUE FORWARD
!RESIDUE 18 LYS INTERRESIDUE FORWARD
!RESIDUE 19 LYS INTERRESIDUE FORWARD
!RESIDUE 20 HIS INTERRESIDUE FORWARD
!RESIDUE 21 ILE INTERRESIDUE FORWARD
!RESIDUE 22 ARG INTERRESIDUE FORWARD
!RESIDUE 23 THR INTERRESIDUE FORWARD
!RESIDUE 24 HIS INTERRESIDUE FORWARD
!RESIDUE 25 THR INTERRESIDUE FORWARD
!RESIDUE 26 ASP INTERRESIDUE FORWARD
!RESIDUE 27 VAL INTERRESIDUE FORWARD


!!C-terminal finger intraresidue NOEs
!RESIDUE 28 ARG INTRARESIDUE
assign (resid   28 and  name HN   )(resid   28  and  name HA   ) 3.0 1.2 0.5
assign (resid   28 and  name HN   )(resid   28  and  name HB2  ) 2.5 0.7 0.2
assign (resid   28 and  name HN   )(resid   28  and  name HB1  ) 4.0 2.2 1.0
assign (resid   28 and  name HN   )(resid   28  and  name HG#  ) 4.0 3.2 3.0 !#
assign (resid   28 and  name HA   )(resid   28  and  name HB2  ) 3.0 1.2 0.3
assign (resid   28 and  name HA   )(resid   28  and  name HB1  ) 3.0 1.2 0.3
assign (resid   28 and  name HA   )(resid   28  and  name HG#  ) 3.0 1.8 0.9 !#
!RESIDUE 29 PRO INTRARESIDUE
assign (resid   29 and  name HA   )(resid   29  and  name HB2  ) 3.0 1.2 0.3
assign (resid   29 and  name HA   )(resid   29  and  name HB1  ) 2.5 0.7 0.2
assign (resid   29 and  name HA   )(resid   29  and  name HG#  ) 4.0 2.8 1.6 !#
!RESIDUE 30 TYR INTRARESIDUE
assign (resid   30 and  name HN   )(resid   30  and  name HA   ) 3.0 1.2 0.5
assign (resid   30 and  name HN   )(resid   30  and  name HB1  ) 4.0 2.2 1.0
assign (resid   30 and  name HN   )(resid   30  and  name HB2  ) 2.5 0.7 0.2
assign (resid   30 and  name HN   )(resid   30  and  name HD2  ) 3.0 1.2 0.5
assign (resid   30 and  name HA   )(resid   30  and  name HB1  ) 2.5 0.7 0.2
assign (resid   30 and  name HA   )(resid   30  and  name HB2  ) 4.0 2.2 1.0
assign (resid   30 and  name HA   )(resid   30  and  name HD1  ) 2.5 0.7 0.2
assign (resid   30 and  name HA   )(resid   30  and  name HE1  ) 4.0 2.2 1.0
assign (resid   30 and  name HD1  )(resid   30  and  name HB1  ) 2.5 0.7 0.2
assign (resid   30 and  name HD2  )(resid   30  and  name HB2  ) 2.5 0.7 0.2
!RESIDUE 31 HIS INTRARESIDUE
assign (resid   31 and  name HN   )(resid   31  and  name HA   ) 4.0 2.2 1.0
assign (resid   31 and  name HN   )(resid   31  and  name HB1  ) 4.0 2.2 1.0
assign (resid   31 and  name HN   )(resid   31  and  name HB2  ) 2.5 0.7 0.2
assign (resid   31 and  name HN   )(resid   31  and  name HD2  ) 3.0 1.2 0.5
assign (resid   31 and  name HA   )(resid   31  and  name HB1  ) 2.5 0.7 0.2
assign (resid   31 and  name HA   )(resid   31  and  name HB2  ) 3.0 1.2 0.3
assign (resid   31 and  name HA   )(resid   31  and  name HD2  ) 4.0 2.2 1.0
assign (resid   31 and  name HD2  )(resid   31  and  name HB2  ) 3.0 1.2 0.3
assign (resid   31 and  name HD2  )(resid   31  and  name HB1  ) 4.0 2.2 1.0
!RESIDUE 32 CYS INTRARESIDUE
assign (resid   32 and  name HN   )(resid   32  and  name HA   ) 3.0 1.2 0.5
assign (resid   32 and  name HN   )(resid   32  and  name HB1  ) 2.5 0.7 0.2
assign (resid   32 and  name HN   )(resid   32  and  name HB2  ) 2.5 0.7 0.2
assign (resid   32 and  name HA   )(resid   32  and  name HB1  ) 3.0 1.2 0.3
assign (resid   32 and  name HA   )(resid   32  and  name HB2  ) 2.5 0.7 0.2
!RESIDUE 33 THR INTRARESIDUE
assign (resid   33 and  name HN   )(resid   33  and  name HA   ) 3.0 1.2 0.5
assign (resid   33 and  name HN   )(resid   33  and  name HB   ) 4.0 2.2 1.0
assign (resid   33 and  name HN   )(resid   33  and  name HG2# ) 4.0 3.7 2.5 !#
assign (resid   33 and  name HA   )(resid   33  and  name HB   ) 3.0 1.2 0.3
assign (resid   33 and  name HA   )(resid   33  and  name HG2# ) 3.0 2.3 1.4 !#
!RESIDUE 34 TYR INTRARESIDUE
assign (resid   34 and  name HN   )(resid   34  and  name HA   ) 3.0 1.2 0.5
assign (resid   34 and  name HN   )(resid   34  and  name HB2  ) 3.0 1.2 0.5
assign (resid   34 and  name HN   )(resid   34  and  name HB1  ) 4.0 2.2 2.0
assign (resid   34 and  name HN   )(resid   34  and  name HD2  ) 4.0 2.2 1.0
assign (resid   34 and  name HA   )(resid   34  and  name HB1  ) 2.5 0.7 0.2
assign (resid   34 and  name HA   )(resid   34  and  name HB2  ) 4.0 2.2 1.0
assign (resid   34 and  name HA   )(resid   34  and  name HD#  ) 3.0 3.2 2.3 !#
assign (resid   34 and  name HD2  )(resid   34  and  name HB2  ) 2.5 0.7 0.2
assign (resid   34 and  name HD1  )(resid   34  and  name HB1  ) 2.5 0.7 0.2
!RESIDUE 35 CYS INTRARESIDUE
assign (resid   35 and  name HN   )(resid   35  and  name HA   ) 3.0 1.2 0.5
assign (resid   35 and  name HN   )(resid   35  and  name HB2  ) 3.0 1.2 0.5
assign (resid   35 and  name HN   )(resid   35  and  name HB1  ) 4.0 2.2 1.0
assign (resid   35 and  name HA   )(resid   35  and  name HB2  ) 4.0 2.2 1.0
assign (resid   35 and  name HA   )(resid   35  and  name HB1  ) 3.0 1.2 0.3
!RESIDUE 36 ASN INTRARESIDUE
assign (resid   36 and  name HN   )(resid   36  and  name HA   ) 3.0 1.2 0.5
assign (resid   36 and  name HN   )(resid   36  and  name HB2  ) 4.0 2.2 1.0
assign (resid   36 and  name HN   )(resid   36  and  name HB1  ) 3.0 1.2 0.5
assign (resid   36 and  name HN   )(resid   36  and  name HD21 ) 4.0 3.2 3.0 !#
assign (resid   36 and  name HA   )(resid   36  and  name HB2  ) 2.5 0.7 0.2
assign (resid   36 and  name HA   )(resid   36  and  name HB1  ) 3.0 1.2 0.3
assign (resid   36 and  name HA   )(resid   36  and  name HD22 ) 4.0 3.2 3.0 !#
assign (resid   36 and  name HA   )(resid   36  and  name HD21 ) 4.0 3.2 3.0 !#
assign (resid   36 and  name HB2  )(resid   36  and  name HD22 ) 4.0 3.2 2.0 !#
assign (resid   36 and  name HB2  )(resid   36 and  name HD21 ) 3.0 2.2 1.5 !#
assign (resid   36 and  name HB1  )(resid   36 and  name HD22 ) 4.0 3.2 2.0 !#
assign (resid   36 and  name HB1  )(resid   36  and  name HD21 ) 3.0 2.2 1.5 !#
!RESIDUE 37 PHE INTRARESIDUE
assign (resid   37 and  name HN   )(resid   37  and  name HA   ) 3.0 1.2 0.5
assign (resid   37 and  name HN   )(resid   37  and  name HB1  ) 4.0 2.2 1.0
assign (resid   37 and  name HN   )(resid   37  and  name HB2  ) 3.0 1.2 0.5
assign (resid   37 and  name HN   )(resid   37  and  name HD1  ) 4.0 2.2 1.0
assign (resid   37 and  name HN   )(resid   37  and  name HD2  ) 4.0 2.2 1.0
assign (resid   37 and  name HA   )(resid   37  and  name HB1  ) 4.0 2.2 1.0
assign (resid   37 and  name HA   )(resid   37  and  name HB2  ) 2.5 0.7 0.2
assign (resid   37 and  name HA   )(resid   37  and  name HD2  ) 2.5 0.7 0.2
assign (resid   37 and  name HD1  )(resid   37  and  name HB1  ) 4.0 2.2 1.0
assign (resid   37 and  name HD2  )(resid   37  and  name HB2  ) 4.0 2.2 1.0
!RESIDUE 38 SER INTRARESIDUE
assign (resid   38 and  name HN   )(resid   38  and  name HA   ) 3.0 1.2 0.5
assign (resid   38 and  name HN   )(resid   38  and  name HB2  ) 4.0 2.2 1.0
assign (resid   38 and  name HN   )(resid   38  and  name HB1  ) 3.0 1.2 0.5
assign (resid   38 and  name HA   )(resid   38  and  name HB2  ) 2.5 0.7 0.2
assign (resid   38 and  name HA   )(resid   38  and  name HB1  ) 3.0 1.2 0.3
!RESIDUE 39 PHE INTRARESIDUE
assign (resid   39 and  name HN   )(resid   39  and  name HA   ) 3.0 1.2 0.5
assign (resid   39 and  name HN   )(resid   39  and  name HB1  ) 4.0 2.2 1.0
assign (resid   39 and  name HN   )(resid   39  and  name HB2  ) 2.5 0.7 0.2
assign (resid   39 and  name HN   )(resid   39  and  name HD2  ) 3.0 1.2 0.5
assign (resid   39 and  name HA   )(resid   39  and  name HB1  ) 2.5 0.7 0.2
assign (resid   39 and  name HA   )(resid   39  and  name HB2  ) 4.0 2.2 1.0
assign (resid   39 and  name HA   )(resid   39  and  name HD1  ) 4.0 2.2 1.0
assign (resid   39 and  name HD1  )(resid   39  and  name HB1  ) 4.0 2.2 1.0
assign (resid   39 and  name HD2  )(resid   39  and  name HB2  ) 3.0 1.2 0.3
!RESIDUE 40 LYS INTRARESIDUE
assign (resid   40 and  name HN   )(resid   40  and  name HA   ) 3.0 1.2 0.5
assign (resid   40 and  name HN   )(resid   40  and  name HB1  ) 2.5 0.7 0.2
assign (resid   40 and  name HN   )(resid   40  and  name HB2  ) 2.5 0.7 0.2
assign (resid   40 and  name HN   )(resid   40  and  name HG#  ) 4.0 3.2 2.0 !#
assign (resid   40 and  name HN   )(resid   40  and  name HD#  ) 4.0 3.2 3.0 !#
assign (resid   40 and  name HA   )(resid   40  and  name HB2  ) 2.5 0.7 0.2
assign (resid   40 and  name HA   )(resid   40  and  name HB1  ) 3.0 1.2 0.3
assign (resid   40 and  name HA   )(resid   40  and  name HG#  ) 4.0 2.8 1.6 !#
assign (resid   40 and  name HA   )(resid   40  and  name HD#  ) 4.0 3.2 3.0 !#
!RESIDUE 41 THR INTRARESIDUE
assign (resid   41 and  name HN   )(resid   41  and  name HA   ) 3.0 1.2 0.5
assign (resid   41 and  name HN   )(resid   41  and  name HB   ) 4.0 2.2 1.0
assign (resid   41 and  name HN   )(resid   41  and  name HG2# ) 2.5 2.2 1.7 !#
assign (resid   41 and  name HA   )(resid   41  and  name HB   ) 2.5 0.7 0.2
assign (resid   41 and  name HA   )(resid   41  and  name HG2# ) 2.5 1.8 1.3 !#
!RESDIUE 42 LYS INTRARESIDUE
assign (resid   42 and  name HN   )(resid   42  and  name HA   ) 2.5 0.7 0.2
assign (resid   42 and  name HN   )(resid   42  and  name HB1  ) 2.5 0.7 0.2
assign (resid   42 and  name HN   )(resid   42  and  name HB2  ) 2.5 0.7 0.2
assign (resid   42 and  name HN   )(resid   42  and  name HG#  ) 4.0 3.2 2.0 !#
assign (resid   42 and  name HN   )(resid   42  and  name HD#  ) 4.0 3.2 3.0 !#
assign (resid   42 and  name HA   )(resid   42  and  name HB1  ) 4.0 1.2 1.0
assign (resid   42 and  name HA   )(resid   42  and  name HB2  ) 2.5 0.7 0.2
assign (resid   42 and  name HA   )(resid   42  and  name HG#  ) 4.0 2.8 1.6 !#
assign (resid   42 and  name HA   )(resid   42  and  name HD#  ) 4.0 3.2 3.0 !#
!RESDIUE 43 GLY INTRARESIDUE FORWARD
assign (resid   43 and  name HN   )(resid   43  and  name HA#  ) 2.5 1.3 0.8 !#
!RESIDUE 44 ASN INTRARESIDUE
assign (resid   44 and  name HN   )(resid   44  and  name HA   ) 2.5 0.7 0.2
assign (resid   44 and  name HN   )(resid   44  and  name HB2  ) 2.5 0.7 0.2
assign (resid   44 and  name HN   )(resid   44  and  name HB1  ) 4.0 2.2 1.0
assign (resid   44 and  name HN   )(resid   44  and  name HD21 ) 4.0 3.2 3.0 !#
assign (resid   44 and  name HA   )(resid   44  and  name HB2  ) 4.0 2.2 1.0
assign (resid   44 and  name HA   )(resid   44  and  name HB1  ) 2.5 0.7 0.2
assign (resid   44 and  name HA   )(resid   44  and  name HD22 ) 4.0 3.2 3.0 !#
assign (resid   44 and  name HA   )(resid   44  and  name HD21 ) 4.0 3.2 3.0 !#
assign (resid   44 and  name HD21 )(resid   44  and  name HB2  ) 4.0 3.2 2.0 !
assign (resid   44 and  name HD21 )(resid   44  and  name HB1  ) 4.0 3.2 2.0 !
!RESIDUE 45 LEU INTRARESIDUE
assign (resid   45 and  name HN   )(resid   45  and  name HA   ) 3.0 1.2 0.5
assign (resid   45 and  name HN   )(resid   45  and  name HB1  ) 2.5 0.7 0.2
assign (resid   45 and  name HN   )(resid   45  and  name HB2  ) 2.5 0.7 0.2
assign (resid   45 and  name HN   )(resid   45  and  name HG   ) 4.0 2.2 2.0
assign (resid   45 and  name HN   )(resid   45  and  name HD1# ) 4.0 3.7 3.5 !#
assign (resid   45 and  name HN   )(resid   45 and  name HD2# ) 4.0 3.7 2.5 !#
assign (resid   45 and  name HA   )(resid   45  and  name HB1  ) 4.0 2.2 1.0
assign (resid   45 and  name HA   )(resid   45  and  name HB2  ) 2.5 0.7 0.2
assign (resid   45 and  name HA   )(resid   45  and  name HG   ) 4.0 2.2 2.0
assign (resid   45 and  name HA   )(resid   45  and  name HD1# ) 4.0 3.7 2.5 !#
assign (resid   45 and  name HA   )(resid   45 and  name HD2# ) 3.0 2.7 1.8 !#
assign (resid   45 and  name HD1# )(resid   49 and  name HB2  ) 4.0 3.7 2.5 !
!RESIDUE 46 THR INTRARESIDUE
assign (resid   46 and  name HN   )(resid   46  and  name HA   ) 3.0 1.2 0.5
assign (resid   46 and  name HN   )(resid   46  and  name HB   ) 2.5 0.7 0.2
assign (resid   46 and  name HN   )(resid   46  and  name HG2# ) 3.0 2.7 2.0 !#
assign (resid   46 and  name HA   )(resid   46  and  name HB   ) 3.0 1.2 0.3
assign (resid   46 and  name HA   )(resid   46  and  name HG2# ) 2.5 1.8 1.3 !#
!RESIDUE 47 LYS INTRARESIDUE
assign (resid   47 and  name HN   )(resid   47  and  name HA   ) 3.0 1.2 0.5
assign (resid   47 and  name HN   )(resid   47  and  name HB#  ) 2.5 1.3 0.8 !#
assign (resid   47 and  name HN   )(resid   47  and  name HG#  ) 4.0 3.2 2.0 !#
assign (resid   47 and  name HN   )(resid   47  and  name HD#  ) 4.0 3.2 3.0 !#
assign (resid   47 and  name HA   )(resid   47  and  name HB#  ) 3.0 2.2 1.3 !#
assign (resid   47 and  name HA   )(resid   47  and  name HG#  ) 3.0 1.8 0.9 !#
assign (resid   47 and  name HA   )(resid   47  and  name HD#  ) 4.0 3.2 2.0 !#
!RESIDUE 48 HIS INTRARESIDUE
assign (resid   48 and  name HN   )(resid   48  and  name HA   ) 4.0 2.2 1.0
assign (resid   48 and  name HN   )(resid   48  and  name HB1  ) 3.0 1.2 0.5
assign (resid   48 and  name HN   )(resid   48  and  name HB2  ) 3.0 1.2 0.5
assign (resid   48 and  name HA   )(resid   48  and  name HB1  ) 3.0 1.2 0.3
assign (resid   48 and  name HA   )(resid   48  and  name HB2  ) 2.5 0.7 0.2
assign (resid   48 and  name HD2  )(resid   48  and  name HB2  ) 4.0 2.2 1.0
assign (resid   48 and  name HD2  )(resid   48  and  name HB1  ) 4.0 2.2 1.0
!RESIDUE 49 MET INTRARESIDUE 
assign (resid   49 and  name HN   )(resid   49  and  name HA   ) 3.0 1.2 0.5
assign (resid   49 and  name HN   )(resid   49  and  name HB2  ) 2.5 0.7 0.2
assign (resid   49 and  name HN   )(resid   49  and  name HB1  ) 4.0 2.2 1.0
assign (resid   49 and  name HN   )(resid   49  and  name HG#  ) 3.0 2.2 1.5 !#
assign (resid   49 and  name HA   )(resid   49  and  name HB2  ) 4.0 2.2 1.0
assign (resid   49 and  name HA   )(resid   49  and  name HB1  ) 2.5 0.7 0.2
assign (resid   49 and  name HA   )(resid   49  and  name HG#  ) 4.0 2.8 1.6 !#
assign (resid   49 and  name HA   )(resid   49  and  name HE#  ) 4.0 3.7 2.5 !#
!RESIDUE 50 LYS INTRARESIDUE
assign (resid   50 and  name HN   )(resid   50  and  name HA   ) 3.0 1.2 0.5
assign (resid   50 and  name HN   )(resid   50  and  name HB1  ) 3.0 1.2 0.5
assign (resid   50 and  name HN   )(resid   50  and  name HB2  ) 2.5 0.7 0.2
assign (resid   50 and  name HN   )(resid   50  and  name HG#  ) 4.0 3.2 2.0 !#
assign (resid   50 and  name HN   )(resid   50  and  name HD#  ) 4.0 3.2 3.0 !#
assign (resid   50 and  name HA   )(resid   50  and  name HB1  ) 3.0 1.2 0.3
assign (resid   50 and  name HA   )(resid   50  and  name HB2  ) 3.0 1.2 0.3
assign (resid   50 and  name HA   )(resid   50  and  name HG#  ) 4.0 2.8 2.6 !#
assign (resid   50 and  name HA   )(resid   50  and  name HD#  ) 4.0 3.2 2.0 !#
!RESIDUE 51 SER INTRARESIDUE
assign (resid   51 and  name HN   )(resid   51  and  name HA   ) 3.0 1.2 0.5
assign (resid   51 and  name HN   )(resid   51  and  name HB#  ) 4.0 2.8 1.6 !#
assign (resid   51 and  name HA   )(resid   51  and  name HB#  ) 2.5 1.7 1.2 !#
!RESIDUE 52 LYS INTRARESIDUE
assign (resid   52 and  name HN   )(resid   52  and  name HA   ) 3.0 1.2 0.5
assign (resid   52 and  name HN   )(resid   52  and  name HB#  ) 2.5 1.3 0.8 !#
assign (resid   52 and  name HN   )(resid   52  and  name HG#  ) 4.0 3.2 3.0 !#
assign (resid   52 and  name HN   )(resid   52  and  name HD#  ) 4.0 3.2 2.0 !#
assign (resid   52 and  name HA   )(resid   52  and  name HB#  ) 4.0 3.2 2.0 !#
assign (resid   52 and  name HA   )(resid   52  and  name HG#  ) 4.0 2.8 1.6 !#
assign (resid   52 and  name HA   )(resid   52  and  name HD#  ) 4.0 3.2 3.0 !#
!RESIDUE 53 ALA INTRARESIDUE
assign (resid   53 and  name HN   )(resid   53  and  name HA   ) 3.0 1.2 0.5
assign (resid   53 and  name HN   )(resid   53  and  name HB#  ) 3.0 2.3 1.6 !#
assign (resid   53 and  name HA   )(resid   53  and  name HB#  ) 3.0 2.7 1.8 !#
!RESIDUE 54 HIS INTRARESIDUE
assign (resid   54 and  name HN   )(resid   54  and  name HA   ) 4.0 2.2 1.0
assign (resid   54 and  name HN   )(resid   54  and  name HB2  ) 4.0 2.2 1.0
assign (resid   54 and  name HN   )(resid   54  and  name HB1  ) 3.0 1.2 0.5
assign (resid   54 and  name HA   )(resid   54  and  name HB2  ) 2.5 0.7 0.2
assign (resid   54 and  name HA   )(resid   54  and  name HB1  ) 2.5 0.7 0.2
assign (resid   54 and  name HD2  )(resid   54  and  name HB2  ) 3.0 1.2 0.3
assign (resid   54 and  name HD2  )(resid   54  and  name HB1  ) 4.0 2.2 1.0
!RESIDUE 55 SER INTRARESIDUE
assign (resid   55 and  name HN   )(resid   55  and  name HA   ) 4.0 2.2 1.0
assign (resid   55 and  name HN   )(resid   55  and  name HB#  ) 3.0 1.8 0.9 !#
assign (resid   55 and  name HA   )(resid   55  and  name HB#  ) 2.5 1.7 1.2 !#
!RESIDUE 56 LYS INTRARESIDUE
assign (resid   56 and  name HN   )(resid   56  and  name HA   ) 4.0 2.2 1.0
assign (resid   56 and  name HN   )(resid   56  and  name HB#  ) 2.5 1.3 0.8 !#
assign (resid   56 and  name HN   )(resid   56  and  name HG#  ) 4.0 3.2 2.0 !#
assign (resid   56 and  name HA   )(resid   56  and  name HB#  ) 2.5 1.7 1.2 !#
assign (resid   56 and  name HA   )(resid   56  and  name HG#  ) 4.0 2.8 2.6 !#
assign (resid   56 and  name HA   )(resid   56  and  name HD#  ) 4.0 3.2 3.0 !#
assign (resid   56 and  name HB1  )(resid   57  and  name HN   ) 4.0 2.2 1.0
!RESIDUE 57 LYS INTRARESIDUE
assign (resid   57 and  name HN   )(resid   57  and  name HA   ) 2.5 0.7 0.2
assign (resid   57 and  name HN   )(resid   57  and  name HB#  ) 2.5 1.3 0.8 !#
assign (resid   57 and  name HN   )(resid   57  and  name HG#  ) 4.0 3.2 3.0 !#
assign (resid   57 and  name HN   )(resid   57  and  name HD#  ) 4.0 3.2 3.0 !#
assign (resid   57 and  name HA   )(resid   57  and  name HB#  ) 2.5 1.7 1.2 !#
assign (resid   57 and  name HA   )(resid   57  and  name HG#  ) 4.0 2.8 2.6 !#
assign (resid   57 and  name HA   )(resid   57  and  name HD#  ) 4.0 3.2 3.0 !#


!!C-terminal finger sequential NOEs |i-j|=1
!RESIDUE 28 ARG INTERRESIDUE FORWARD
assign (resid   28 and  name HA   )(resid   29  and  name HD#  ) 3.0 2.2 1.3 !#
assign (resid   28 and  name HN   )(resid   29 and  name HD#  ) 4.0 3.2 2.0 !#
!RESIDUE 29 PRO INTERRESIDUE FORWARD
assign (resid   29 and  name HB2  )(resid   30  and  name HN   ) 4.0 2.2 1.0
assign (resid   29 and  name HD#  )(resid   30 and  name HN   ) 4.0 3.2 2.0 !
assign (resid   29 and  name HB1  )(resid   30  and  name HN   ) 4.0 2.2 1.0
assign (resid   29 and  name HA   )(resid   30  and  name HN   ) 4.0 2.2 1.0
assign (resid   29 and  name HD1  )(resid   30  and  name HD2  ) 4.0 3.2 2.0 !
assign (resid   29 and  name HD1  )(resid   30  and  name HE2  ) 4.0 3.2 3.0 !
assign (resid   29 and  name HG#  )(resid   30  and  name HD2  ) 4.0 3.2 2.0 !
assign (resid   29 and  name HG#  )(resid   30  and  name HE2  ) 4.0 3.2 2.0 !
assign (resid   29 and  name HB2  )(resid   30  and  name HD#  ) 4.0 4.2 4.0 !#
assign (resid   29 and  name HB2  )(resid   30  and  name HE#  ) 4.0 4.2 3.0 !#
!RESIDUE 30 TYR INTERRESIDUE FORWARD
assign (resid   30 and  name HN   )(resid   31 and  name HN   ) 4.0 2.2 1.0
assign (resid   30 and  name HB1  )(resid   31  and  name HN   ) 4.0 2.2 2.0
assign (resid   30 and  name HB2  )(resid   31  and  name HN   ) 4.0 2.2 1.0
assign (resid   30 and  name HA   )(resid   31  and  name HN   ) 3.0 1.2 0.5
assign (resid   30 and  name HD1  )(resid   31  and  name HN   ) 4.0 2.2 2.0
assign (resid   30 and  name HA   )(resid   31 and  name HD2  ) 4.0 2.2 1.0
!RESIDUE 31 HIS INTERRESIDUE FORWARD
assign (resid   31 and  name HA   )(resid   32  and  name HN   ) 3.0 1.2 0.5
assign (resid   31 and  name HB1  )(resid   32  and  name HN   ) 3.0 1.2 0.5
assign (resid   31 and  name HB2  )(resid   32  and  name HN   ) 4.0 2.2 1.0
!RESIDUE 32 CYS INTRARESIDUE
assign (resid   32 and  name HN   )(resid   33  and  name HN   ) 4.0 2.2 1.0
assign (resid   32 and  name HA   )(resid   33  and  name HN   ) 3.0 1.2 0.5
!RESIDUE 33 THR INTERRESIDUE FORWARD
assign (resid   33 and  name HN   )(resid   34  and  name HN   ) 4.0 2.2 1.0
assign (resid   33 and  name HA   )(resid   34  and  name HN   ) 4.0 2.2 1.0
assign (resid   33 and  name HN   )(resid   34  and  name HD2  ) 4.0 2.2 2.0
assign (resid   33 and  name HB   )(resid   34  and  name HD2  ) 4.0 2.2 2.0
assign (resid   33 and  name HB   )(resid   34  and  name HE2  ) 4.0 2.2 2.0
assign (resid   33 and  name HG2# )(resid   34  and  name HD2  ) 4.0 3.7 2.5 !
assign (resid   33 and  name HG2# )(resid   34  and  name HE2  ) 4.0 3.7 2.5 !
assign (resid   33 and  name HG2# )(resid   34 and  name HN   ) 4.0 3.7 2.5 !
assign (resid   33 and  name HA   )(resid   34  and  name HD2  ) 4.0 2.2 1.0
!RESIDUE 34 TYR INTERRESIDUE FORWARD
assign (resid   34 and  name HN   )(resid   35  and  name HN   ) 3.0 1.2 0.5
assign (resid   34 and  name HA   )(resid   35  and  name HN   ) 3.0 1.2 0.5
assign (resid   34 and  name HB1  )(resid   35  and  name HN   ) 3.0 1.2 0.5
assign (resid   34 and  name HB2  )(resid   35  and  name HN   ) 4.0 2.2 1.0
assign (resid   34 and  name HD2  )(resid   35  and  name HN   ) 4.0 2.2 2.0
!RESIDUE 35 CYS INTERRESIDUE FORWARD
assign (resid   35 and  name HN   )(resid   36  and  name HN   ) 4.0 2.2 1.0
assign (resid   35 and  name HA   )(resid   36  and  name HN   ) 3.0 1.2 0.5
assign (resid   35 and  name HB1  )(resid   36  and  name HN   ) 2.5 0.7 0.2
assign (resid   35 and  name HB2  )(resid   36  and  name HN   ) 3.0 1.2 0.5
!RESIDUE 36 ASN INTERRESIDUE FORWARD
assign (resid   36 and  name HA   )(resid   37  and  name HN   ) 4.0 2.2 1.0
assign (resid   36 and  name HN   )(resid   37  and  name HN   ) 4.0 2.2 2.0
assign (resid   36 and  name HB1  )(resid   37 and  name HN   ) 4.0 2.2 1.0
!RESIDUE 37 PHE INTERRESIDUE FORWARD
assign (resid   37 and  name HN   )(resid   38  and  name HN   ) 4.0 2.2 1.0
assign (resid   37 and  name HA   )(resid   38  and  name HN   ) 2.5 0.7 0.2
assign (resid   37 and  name HB2  )(resid   38  and  name HN   ) 4.0 2.2 1.0
assign (resid   37 and  name HB1  )(resid   38  and  name HN   ) 4.0 2.2 2.0
assign (resid   37 and  name HD#  )(resid   38 and  name HN   ) 4.0 4.2 3.0 !
assign (resid   37 and  name HE#  )(resid   38 and  name HN   ) 4.0 4.2 3.0 !
!RESIDUE 38 SER INTERRESIDUE FORWARD
assign (resid   38 and  name HN   )(resid   39  and  name HN   ) 4.0 2.2 2.0
assign (resid   38 and  name HA   )(resid   39  and  name HN   ) 2.5 0.7 0.2
assign (resid   38 and  name HB1  )(resid   39  and  name HN   ) 4.0 2.2 1.0
assign (resid   38 and  name HA   )(resid   39  and  name HE2  ) 4.0 2.2 1.0
assign (resid   38 and  name HB2  )(resid   39  and  name HN   ) 4.0 2.2 1.0
assign (resid   38 and  name HA   )(resid   39 and  name HD2  ) 3.0 1.2 0.3
!RESIDUE 39 PHE INTERRESIDUE FORWARD
assign (resid   39 and  name HN   )(resid   40  and  name HN   ) 4.0 2.2 2.0
assign (resid   39 and  name HA   )(resid   40  and  name HN   ) 2.5 0.7 0.2
assign (resid   39 and  name HB1  )(resid   40  and  name HN   ) 3.0 1.2 0.5
assign (resid   39 and  name HB2  )(resid   40  and  name HN   ) 4.0 2.2 1.0
assign (resid   39 and  name HD1  )(resid   40 and  name HN   ) 4.0 2.2 1.0
!RESIDUE 40 LYS INTERRESIDUE FORWARD
assign (resid   40 and  name HN   )(resid   41  and  name HN   ) 3.0 1.2 0.5
assign (resid   40 and  name HA   )(resid   41  and  name HN   ) 4.0 2.2 1.0
assign (resid   40 and  name HB2  )(resid   41  and  name HN   ) 4.0 2.2 1.0
assign (resid   40 and  name HB1  )(resid   41  and  name HN   ) 3.0 1.2 0.5
assign (resid   40 and  name HB#  )(resid   41  and  name HG2# ) 3.0 3.7 2.8 ! !#
!RESIDUE 41 THR INTRARESIDUE
assign (resid   41 and  name HN   )(resid   42  and  name HN   ) 4.0 2.2 1.0
assign (resid   41 and  name HB   )(resid   42  and  name HN   ) 2.5 0.7 0.2
assign (resid   41 and  name HG2# )(resid   42  and  name HN   ) 3.0 2.7 2.0 !
assign (resid   41 and  name HA   )(resid   42  and  name HN   ) 2.5 0.7 0.2
!RESIDUE 42 LYS INTERRESIDUE FORWARD
assign (resid   42 and  name HN   )(resid   43  and  name HN   ) 3.0 1.2 0.5
assign (resid   42 and  name HB1  )(resid   43  and  name HN   ) 4.0 2.2 1.0
assign (resid   42 and  name HB2  )(resid   43  and  name HN   ) 4.0 2.2 2.0
assign (resid   42 and  name HA   )(resid   43  and  name HN   ) 4.0 2.2 2.0
!RESIDUE 43 GLY INTERRESIDUE FORWARD
assign (resid   43 and  name HN   )(resid   44  and  name HN   ) 3.0 1.2 0.5
assign (resid   43 and  name HA#  )(resid   44  and  name HN   ) 4.0 3.2 2.0 !
!RESIDUE 44 ASN INTERRESIDUE FORWARD
assign (resid   44 and  name HN   )(resid   45  and  name HN   ) 3.0 1.2 0.5
assign (resid   44 and  name HB2  )(resid   45  and  name HN   ) 3.0 1.2 0.5
assign (resid   44 and  name HB1  )(resid   45  and  name HN   ) 4.0 2.2 1.0
assign (resid   44 and  name HA   )(resid   45  and  name HN   ) 4.0 2.2 1.0
!RESIDUE 45 LEU INTERESIDUE FORWARD
assign (resid   45 and  name HN   )(resid   46  and  name HN   ) 3.0 1.2 0.5
assign (resid   45 and  name HA   )(resid   46  and  name HN   ) 4.0 2.2 2.0
assign (resid   45 and  name HB1  )(resid   46  and  name HN   ) 2.5 0.7 0.2
assign (resid   45 and  name HB2  )(resid   46  and  name HN   ) 4.0 2.2 1.0
assign (resid   45 and  name HG   )(resid   46  and  name HN   ) 4.0 2.2 2.0
assign (resid   45 and  name HD2# )(resid   46  and  name HN   ) 4.0 3.7 3.5 !
assign (resid   45 and  name HD1# )(resid   46 and  name HN   ) 4.0 3.7 2.5 !
!RESIDUE 46 THR INTERRESIDUE FORWARD
assign (resid   46 and  name HN   )(resid   47  and  name HN   ) 2.5 0.7 0.2
assign (resid   46 and  name HA   )(resid   47  and  name HN   ) 4.0 2.2 1.0
assign (resid   46 and  name HB   )(resid   47  and  name HN   ) 2.5 0.7 0.2
assign (resid   46 and  name HG2# )(resid   47  and  name HN   ) 4.0 3.7 2.5 !
assign (resid   46 and  name HG2# )(resid   47  and  name HA   ) 4.0 3.7 2.5 !
!RESIDUE 47 LYS INTERRESIDUE FORWARD
assign (resid   47 and  name HN   )(resid   48  and  name HN   ) 2.5 0.7 0.2
assign (resid   47 and  name HB#  )(resid   48  and  name HN   ) 3.0 2.2 1.5 !
assign (resid   47 and  name HA   )(resid   48 and  name HN   ) 4.0 2.2 1.0
!RESIDUE 48 HIS INTERRESIDUE FORWARD
assign (resid   48 and  name HN   )(resid   49  and  name HN   ) 2.5 0.7 0.2
assign (resid   48 and  name HA   )(resid   49  and  name HN   ) 4.0 2.2 2.0
assign (resid   48 and  name HB2  )(resid   49  and  name HN   ) 4.0 2.2 1.0
assign (resid   48 and  name HB1  )(resid   49  and  name HN   ) 4.0 2.2 1.0
assign (resid   48 and  name HD2  )(resid   49  and  name HE#  ) 4.0 3.7 3.5 !#
assign (resid   48 and  name HD2  )(resid   49  and  name HA   ) 4.0 2.2 1.0
assign (resid   48 and  name HD2  )(resid   49  and  name HG#  ) 4.0 3.2 2.0 !#
assign (resid   48 and  name HD2  )(resid   49  and  name HN   ) 4.0 2.2 2.0
!RESIDUE 49 MET INTERRESIDUE FORWARD
assign (resid   49 and  name HN   )(resid   50  and  name HN   ) 2.5 0.7 0.2
assign (resid   49 and  name HA   )(resid   50  and  name HN   ) 4.0 2.2 2.0
assign (resid   49 and  name HB2  )(resid   50  and  name HN   ) 3.0 1.2 0.5
assign (resid   49 and  name HB1  )(resid   50  and  name HN   ) 4.0 2.2 1.0
!RESIDUE 50 LYS INTERRESIDUE FORWARD
assign (resid   50 and  name HN   )(resid   51  and  name HN   ) 3.0 1.2 0.5
assign (resid   50 and  name HA   )(resid   51  and  name HN   ) 4.0 2.2 1.0
assign (resid   50 and  name HB1  )(resid   51  and  name HN   ) 4.0 2.2 1.0
assign (resid   50 and  name HB2  )(resid   51  and  name HN   ) 4.0 2.2 1.0
!RESIDUE 51 SER INTERRESIDUE FORWARD
assign (resid   51 and  name HN   )(resid   52  and  name HN   ) 4.0 2.2 1.0
assign (resid   51 and  name HA   )(resid   52  and  name HN   ) 3.0 1.2 0.5
assign (resid   51 and  name HB#  )(resid   52  and  name HN   ) 3.0 2.2 1.5 !
!RESDIUE 52 LYS INTERRESIDUE FORWARD
assign (resid   52 and  name HN   )(resid   53  and  name HN   ) 4.0 2.2 1.0
assign (resid   52 and  name HA   )(resid   53  and  name HN   ) 3.0 1.2 0.5
assign (resid   52 and  name HB#  )(resid   53  and  name HN   ) 4.0 3.2 2.0 !
!RESIDUE 53 ALA INTERRESIDUE FORWARD
assign (resid   53 and  name HN   )(resid   54  and  name HN   ) 4.0 2.2 1.0
assign (resid   53 and  name HA   )(resid   54  and  name HN   ) 4.0 2.2 1.0
assign (resid   53 and  name HB#  )(resid   54  and  name HN   ) 4.0 3.7 3.5 !
assign (resid   53 and  name HB#  )(resid   54  and  name HE1  ) 4.0 3.7 3.5 !
!RESIDUE 54 HIS INTERRESIDUE FORWARD
assign (resid   54 and  name HN   )(resid   55  and  name HN   ) 3.0 1.2 0.5
assign (resid   54 and  name HA   )(resid   55  and  name HN   ) 4.0 2.2 1.0
assign (resid   54 and  name HB2  )(resid   55  and  name HN   ) 4.0 2.2 1.0
assign (resid   54 and  name HB1  )(resid   55  and  name HN   ) 4.0 2.2 1.0
!RESIDUE 55 SER INTERRESIDUE FORWARD
assign (resid   55 and  name HN   )(resid   56  and  name HN   ) 3.0 1.2 0.5
assign (resid   55 and  name HA   )(resid   56  and  name HN   ) 3.0 1.2 0.5
assign (resid   55 and  name HB#  )(resid   56  and  name HN   ) 3.0 2.2 1.5 !
!RESIUDE 56 LYS INTERRESIDUE FORWARD
assign (resid   56 and  name HN   )(resid   57  and  name HN   ) 3.0 1.2 0.5
assign (resid   56 and  name HA   )(resid   57  and  name HN   ) 3.0 1.2 0.5
assign (resid   56 and  name HB1  )(resid   57  and  name HN   ) 4.0 2.2 1.0

!!C-terminal finger medium range NOEs 1 < |i-j| <= 5
!RESIDUE 28 ARG INTERRESIDUE FORWARD
assign (resid   28 and  name HA   )(resid   30 and  name HD2  ) 4.0 2.2 1.0
!RESIDUE 29 PRO INTERRESIDUE FORWARD
assign (resid   29 and  name HA   )(resid   31 and   name HD2  ) 4.0 2.2 1.0
!RESIDUE 30 TYR INTERRESIDUE FORWARD
!RESIDUE 31 HIS INTERRESIDUE FORWARD
!RESIDUE 32 CYS INTRARESIDUE
assign (resid   32 and  name HB1  )(resid   35  and  name HN   ) 4.0 2.2 1.0
assign (resid   32 and  name HB2  )(resid   35  and  name HN   ) 4.0 2.2 1.0
assign (resid   32 and  name HB1  )(resid   35  and  name HB1  ) 4.0 2.2 1.0
assign (resid   32 and  name HB1  )(resid   36  and  name HN   ) 4.0 2.2 2.0
assign (resid   32 and  name HB1  )(resid   37  and  name HB1  ) 4.0 2.2 1.0
assign (resid   32 and  name HB2  )(resid   37  and  name HB1  ) 4.0 2.2 1.0
assign (resid   32 and  name HB1  )(resid   37  and  name HN   ) 3.0 1.2 0.5
assign (resid   32 and  name HN   )(resid   37  and  name HN   ) 4.0 2.2 1.0
!RESIDUE 33 THR INTERRESIDUE FORWARD
assign (resid   33 and  name HN   )(resid   35  and  name HN   ) 4.0 2.2 2.0
assign (resid   33 and  name HN   )(resid   45  and  name HD#  ) 4.0 4.6 3.4 !#
!RESIDUE 34 TYR INTERRESIDUE FORWARD
!RESIDUE 35 CYS INTERRESIDUE FORWARD
!RESIDUE 36 ASN INTERRESIDUE FORWARD
!RESIDUE 37 PHE INTERRESIDUE FORWARD
assign (resid   37 and  name HB1  )(resid   39  and  name HZ   ) 4.0 2.2 1.0
assign (resid   37 and  name HB1  )(resid   39  and  name HZ   ) 3.0 1.2 0.3
assign (resid   37 and  name HA   )(resid   39  and  name HZ   ) 4.0 2.2 2.0
assign (resid   37 and  name HD1  )(resid   39  and  name HZ   ) 4.0 2.2 1.0
assign (resid   37 and  name HB1  )(resid   39  and  name HE2  ) 4.0 2.2 1.0
assign (resid   37 and  name HA   )(resid   39  and  name HE2  ) 4.0 2.2 2.0
assign (resid   37 and  name HE1  )(resid   39 and  name HZ   ) 4.0 2.2 1.0
!RESIDUE 38 SER INTERRESIDUE FORWARD
!RESIDUE 39 PHE INTERRESIDUE FORWARD
assign (resid   39 and  name HB1  )(resid   41  and  name HN   ) 3.0 1.2 0.5
assign (resid   39 and  name HB2  )(resid   41  and  name HN   ) 4.0 2.2 1.0
assign (resid   39 and  name HB1  )(resid   44  and  name HA   ) 4.0 2.2 2.0
assign (resid   39 and  name HB2  )(resid   44  and  name HB1  ) 4.0 2.2 2.0
assign (resid   39 and  name HA   )(resid   44  and  name HB1  ) 4.0 2.2 1.0
assign (resid   39 and  name HB1  )(resid   44  and  name HB2  ) 3.0 1.2 0.3
assign (resid   39 and  name HB1  )(resid   44  and  name HB1  ) 4.0 2.2 1.0
assign (resid   39 and  name HD1  )(resid   44 and  name HB1  ) 3.0 1.2 0.3
assign (resid   39 and  name HD1  )(resid   44 and  name HB2  ) 4.0 2.2 1.0
!RESIDUE 40 LYS INTERRESIDUE FORWARD
!RESIDUE 41 THR INTRARESIDUE
assign (resid   41 and  name HA   )(resid   43  and  name HN   ) 4.0 2.2 1.0
assign (resid   41 and  name HB   )(resid   43  and  name HN   ) 2.5 0.7 0.2
assign (resid   41 and  name HG2# )(resid   43  and  name HN   ) 4.0 3.7 2.5 !
assign (resid   41 and  name HN   )(resid   44  and  name HB1  ) 4.0 2.2 2.0
assign (resid   41 and  name HN   )(resid   44  and  name HB2  ) 4.0 2.2 1.0
assign (resid   41 and  name HB   )(resid   44  and  name HN   ) 4.0 2.2 1.0
assign (resid   41 and  name HA   )(resid   44  and  name HN   ) 4.0 2.2 2.0
assign (resid   41 and  name HN   )(resid   44 and  name HN   ) 4.0 2.2 1.0
assign (resid   41 and  name HB   )(resid   44 and  name HD22 ) 4.0 3.2 3.0 !#
assign (resid   41 and  name HG2# )(resid   44  and  name HN   ) 4.0 3.7 2.5 !
assign (resid   41 and  name HG2# )(resid   44  and  name HD22 ) 4.0 4.7 3.5 ! !#
assign (resid   41 and  name HG2# )(resid   44  and  name HD21 ) 4.0 4.7 3.5 ! !#
!RESIDUE 42 LYS INTERRESIDUE FORWARD
assign (resid   42 and  name HA   )(resid   44  and  name HN   ) 4.0 2.2 2.0
assign (resid   42 and  name HA   )(resid   45  and  name HN   ) 4.0 2.2 1.0
assign (resid   42 and  name HA   )(resid   45  and  name HB1  ) 3.0 1.2 0.3
assign (resid   42 and  name HA   )(resid   45  and  name HB2  ) 4.0 2.2 1.0
assign (resid   42 and  name HA   )(resid   45  and  name HG   ) 4.0 2.2 2.0
assign (resid   42 and  name HA   )(resid   46  and  name HN   ) 4.0 2.2 2.0
!RESIDUE 43 GLY INTERRESIDUE FORWARD
assign (resid   43 and  name HN   )(resid   45  and  name HN   ) 4.0 2.2 1.0
assign (resid   43 and  name HA#  )(resid   45  and  name HN   ) 4.0 3.2 3.0 !
assign (resid   43 and  name HA#  )(resid   46  and  name HB   ) 4.0 3.2 2.0 !
assign (resid   43 and  name HA#  )(resid   46  and  name HG2# ) 4.0 4.7 4.5 ! !#
assign (resid   43 and  name HA#  )(resid   46  and  name HN   ) 4.0 3.2 3.0 !
assign (resid   43 and  name HA#  )(resid   47  and  name HN   ) 4.0 3.2 3.0 !
!RESIDUE 44 ASN INTERRESIDUE FORWARD
assign (resid   44 and  name HN   )(resid   46  and  name HN   ) 4.0 2.2 2.0
assign (resid   44 and  name HA   )(resid   46  and  name HN   ) 4.0 2.2 2.0
assign (resid   44 and  name HA   )(resid   47  and  name HN   ) 3.0 1.2 0.3
assign (resid   44 and  name HA   )(resid   47  and  name HB#  ) 3.0 2.2 1.3 !#
assign (resid   44 and  name HA   )(resid   47  and  name HG#  ) 4.0 3.2 3.0 !#
assign (resid   44 and  name HA   )(resid   47  and  name HD#  ) 4.0 3.2 3.0 !#
assign (resid   44 and  name HA   )(resid   48  and  name HN   ) 4.0 2.2 2.0
!RESIDUE 45 LEU INTERESIDUE FORWARD
assign (resid   45 and  name HN   )(resid   47  and  name HN   ) 4.0 2.2 2.0
assign (resid   45 and  name HA   )(resid   47  and  name HN   ) 4.0 2.2 2.0
assign (resid   45 and  name HA   )(resid   48  and  name HN   ) 4.0 2.2 1.0
assign (resid   45 and  name HA   )(resid   48  and  name HD2  ) 4.0 2.2 1.0
assign (resid   45 and  name HA   )(resid   48  and  name HB1  ) 4.0 2.2 1.0
assign (resid   45 and  name HA   )(resid   48  and  name HB2  ) 4.0 2.2 1.0
assign (resid   45 and  name HD2# )(resid   48  and  name HB1  ) 3.0 2.7 1.8 !
assign (resid   45 and  name HD1# )(resid   48 and  name HB1  ) 4.0 3.7 3.5 !
assign (resid   45 and  name HD2# )(resid   48  and  name HB2  ) 4.0 3.7 3.5 !
assign (resid   45 and  name HD2# )(resid   48 and  name HN   ) 4.0 3.7 2.5 !
assign (resid   45 and  name HD2# )(resid   48 and  name HD2  ) 3.0 2.7 1.8 !
assign (resid   45 and  name HA   )(resid   49  and  name HN   ) 4.0 2.2 2.0
assign (resid   45 and  name HD1# )(resid   49  and  name HN   ) 4.0 3.7 2.5 !
assign (resid   45 and  name HD1# )(resid   49  and  name HG#  ) 3.0 3.7 2.8 ! !#
assign (resid   45 and  name HD2# )(resid   49 and  name HG#  ) 4.0 4.7 3.5 ! !#
assign (resid   45 and  name HD1# )(resid   49 and  name HB2  ) 4.0 3.7 2.5 !
!RESIDUE 46 THR INTERRESIDUE FORWARD
assign (resid   46 and  name HN   )(resid   48  and  name HN   ) 4.0 2.2 1.0
assign (resid   46 and  name HA   )(resid   48  and  name HN   ) 4.0 2.2 2.0
assign (resid   46 and  name HA   )(resid   49  and  name HN   ) 4.0 2.2 1.0
assign (resid   46 and  name HA   )(resid   49  and  name HB2  ) 3.0 1.2 0.3
assign (resid   46 and  name HA   )(resid   49  and  name HB1  ) 4.0 2.2 1.0
assign (resid   46 and  name HA   )(resid   49  and  name HG#  ) 4.0 3.2 2.0 !#
assign (resid   46 and  name HA   )(resid   49  and  name HE#  ) 4.0 3.7 3.5 !#
assign (resid   46 and  name HA   )(resid   50 and  name HN   ) 4.0 2.2 2.0
!RESIDUE 47 LYS INTERRESIDUE FORWARD
assign (resid   47 and  name HA   )(resid   49  and  name HN   ) 4.0 2.2 2.0
assign (resid   47 and  name HN   )(resid   49  and  name HN   ) 4.0 2.2 1.0
assign (resid   47 and  name HA   )(resid   50  and  name HN   ) 4.0 2.2 1.0
assign (resid   47 and  name HA   )(resid   50  and  name HB2  ) 3.0 1.2 0.3
assign (resid   47 and  name HA   )(resid   50  and  name HG#  ) 4.0 3.2 2.0 !#
assign (resid   47 and  name HA   )(resid   50  and  name HD#  ) 4.0 3.2 2.0 !#
assign (resid   47 and  name HA   )(resid   50  and  name HB1  ) 4.0 2.2 1.0
assign (resid   47 and  name HA   )(resid   51  and  name HN   ) 4.0 2.2 2.0
!RESIDUE 48 HIS INTERRESIDUE FORWARD
assign (resid   48 and  name HN   )(resid   50  and  name HN   ) 4.0 2.2 2.0
assign (resid   48 and  name HA   )(resid   51  and  name HN   ) 4.0 2.2 1.0
assign (resid   48 and  name HA   )(resid   51  and  name HB#  ) 3.0 2.2 1.3 !#
assign (resid   48 and  name HE1  )(resid   53  and  name HB#  ) 4.0 3.7 2.5 !#
!RESIDUE 49 MET INTERRESIDUE FORWARD
assign (resid   49 and  name HA   )(resid   51  and  name HN   ) 4.0 2.2 2.0
assign (resid   49 and  name HN   )(resid   51 and  name HN   ) 4.0 2.2 1.0
assign (resid   49 and  name HA   )(resid   53  and  name HB#  ) 4.0 3.7 3.5 !#
assign (resid   49 and  name HE#  )(resid   54  and  name HD2  ) 4.0 3.7 2.5 !
!RESIDUE 50 LYS INTERRESIDUE FORWARD
!RESIDUE 51 SER INTERRESIDUE FORWARD
assign (resid   51 and  name HN   )(resid   53 and  name HN   ) 4.0 2.2 1.0
assign (resid   51 and  name HA   )(resid   53 and  name HN   ) 4.0 2.2 1.0
assign (resid   51 and  name HB#  )(resid   53 and  name HB#  ) 4.0 4.7 3.5 ! !#
assign (resid   51 and  name HB#  )(resid   53 and  name HN   ) 4.0 3.2 2.0 !
!RESDIUE 52 LYS INTERRESIDUE FORWARD
assign (resid   52 and  name HA   )(resid   54  and  name HN   ) 4.0 2.2 2.0
assign (resid   52 and  name HA   )(resid   55  and  name HN   ) 4.0 2.2 2.0
!RESIDUE 53 ALA INTERRESIDUE FORWARD
!RESIDUE 54 HIS INTERRESIDUE FORWARD
!RESIDUE 55 SER INTERRESIDUE FORWARD
!RESIUDE 56 LYS INTERRESIDUE FORWARD

!!C-terminal finger long range NOEs |i-j|>5
!RESIDUE 28 ARG INTERRESIDUE FORWARD
assign (resid   28 and  name HB2  )(resid   38  and  name HB2  ) 4.0 2.2 1.0
assign (resid   28 and  name HB2  )(resid   38  and  name HB1  ) 4.0 2.2 2.0
assign (resid   28 and  name HG#  )(resid   38  and  name HB1  ) 3.0 2.2 1.3 !
assign (resid   28 and  name HA   )(resid   38  and  name HB2  ) 4.0 2.2 2.0
assign (resid   28 and  name HA   )(resid   39 and  name HA   ) 4.0 2.2 1.0
assign (resid   28 and  name HG#  )(resid   39 and  name HA   ) 3.0 2.2 1.3 !
assign (resid   28 and  name HB1  )(resid   39 and  name HA   ) 4.0 2.2 1.0
assign (resid   28 and  name HB2  )(resid   39 and  name HA   ) 4.0 2.2 1.0
assign (resid   28 and  name HD#  )(resid   39 and  name HA   ) 3.0 2.2 1.3 !
assign (resid   28 and  name HG#  )(resid   39 and  name HN   ) 4.0 3.2 2.0 !
assign (resid   28 and  name HB1  )(resid   39 and  name HN   ) 4.0 2.2 1.0
assign (resid   28 and  name HB1  )(resid   39 and  name HA   ) 4.0 2.2 1.0
assign (resid   28 and  name HB2  )(resid   39 and  name HA   ) 4.0 2.2 1.0
assign (resid   28 and  name HA   )(resid   40 and  name HB1  ) 4.0 2.2 1.0
assign (resid   28 and  name HB2  )(resid   40 and  name HA   ) 4.0 2.2 1.0
assign (resid   28 and  name HA   )(resid   40 and  name HB2  ) 4.0 2.2 1.0
assign (resid   28 and  name HA   )(resid   40 and  name HG#  ) 4.0 3.2 2.0 !#
assign (resid   28 and  name HA   )(resid   40 and  name HD#  ) 3.0 2.2 1.3 !#
assign (resid   28 and  name HG#  )(resid   40 and  name HA   ) 4.0 3.2 2.0 !
assign (resid   28 and  name HA   )(resid   40 and  name HA   ) 3.0 1.2 0.3
assign (resid   28 and  name HG#  )(resid   40 and  name HA   ) 4.0 3.2 3.0 !
assign (resid   28 and  name HB2  )(resid   40 and  name HB2  ) 4.0 2.2 2.0
assign (resid   28 and  name HG#  )(resid   40 and  name HN   ) 4.0 3.2 2.0 !
assign (resid   28 and  name HG#  )(resid   38 and  name HN   ) 4.0 3.2 2.0 !
assign (resid   28 and  name HG#  )(resid   40 and  name HB1  ) 3.0 2.2 1.3 !
!RESIDUE 29 PRO INTERRESIDUE FORWARD
assign (resid   29 and  name HD#  )(resid   40 and  name HA   ) 4.0 3.2 2.0 !
assign (resid   29 and  name HD#  )(resid   40 and  name HG#  ) 4.0 4.2 3.0 ! !#
!RESIDUE 30 TYR INTERRESIDUE FORWARD
assign (resid   30 and  name HB1  )(resid   39  and  name HN   ) 4.0 2.2 2.0
assign (resid   30 and  name HB2  )(resid   39  and  name HN   ) 3.0 1.2 0.5
assign (resid   30 and  name HB1  )(resid   39  and  name HB1  ) 4.0 2.2 2.0
assign (resid   30 and  name HB1  )(resid   39  and  name HB2  ) 4.0 2.2 2.0
assign (resid   30 and  name HB2  )(resid   39  and  name HB1  ) 4.0 2.2 2.0
assign (resid   30 and  name HB2  )(resid   39  and  name HB2  ) 4.0 2.2 2.0
assign (resid   30 and  name HN   )(resid   39  and  name HN   ) 4.0 2.2 1.0
assign (resid   30 and  name HD2  )(resid   39  and  name HN   ) 4.0 2.2 1.0
assign (resid   30 and  name HD2  )(resid   40  and  name HA   ) 4.0 2.2 1.0
assign (resid   30 and  name HE2  )(resid   40  and  name HA   ) 4.0 2.2 2.0
assign (resid   30 and  name HE2  )(resid   40 and  name HD#  ) 4.0 3.2 2.0 !#
assign (resid   30 and  name HD2  )(resid   40 and  name HD#  ) 4.0 3.2 2.0 !#
assign (resid   30 and  name HD2  )(resid   40 and  name HN   ) 4.0 2.2 1.0
assign (resid   30 and  name HD2  )(resid   41  and  name HA   ) 3.0 1.2 0.3
assign (resid   30 and  name HE2  )(resid   41  and  name HA   ) 3.0 1.2 0.3
assign (resid   30 and  name HD2  )(resid   41  and  name HB   ) 4.0 2.2 2.0
assign (resid   30 and  name HE2  )(resid   41  and  name HB   ) 4.0 2.2 1.0
assign (resid   30 and  name HD2  )(resid   41  and  name HG2# ) 4.0 3.7 2.5 !#
assign (resid   30 and  name HE2  )(resid   41  and  name HG2# ) 4.0 3.7 2.5 !#
assign (resid   30 and  name HB1  )(resid   41  and  name HA   ) 4.0 2.2 2.0
assign (resid   30 and  name HD1  )(resid   42  and  name HB1  ) 4.0 2.2 2.0
assign (resid   30 and  name HE1  )(resid   42  and  name HB1  ) 4.0 2.2 1.0
assign (resid   30 and  name HD1  )(resid   42  and  name HB2  ) 4.0 2.2 1.0
assign (resid   30 and  name HE1  )(resid   42  and  name HB2  ) 4.0 2.2 1.0
assign (resid   30 and  name HD1  )(resid   42  and  name HN   ) 4.0 2.2 2.0
assign (resid   30 and  name HE1  )(resid   42  and  name HN   ) 4.0 2.2 1.0
assign (resid   30 and  name HD1  )(resid   42  and  name HG#  ) 4.0 3.2 2.0 !#
assign (resid   30 and  name HE1  )(resid   42  and  name HG#  ) 4.0 3.2 2.0 !#
assign (resid   30 and  name HD1  )(resid   42  and  name HD#  ) 4.0 3.2 3.0 !#
assign (resid   30 and  name HE1  )(resid   42  and  name HD#  ) 4.0 3.2 3.0 !#
assign (resid   30 and  name HD1  )(resid   42  and  name HA   ) 4.0 2.2 1.0
assign (resid   30 and  name HE1  )(resid   42  and  name HA   ) 4.0 2.2 1.0
assign (resid   30 and  name HA   )(resid   45  and  name HD2# ) 4.0 3.7 3.5 !#
assign (resid   30 and  name HD1  )(resid   45  and  name HB1  ) 4.0 2.2 2.0
assign (resid   30 and  name HD1  )(resid   45  and  name HB2  ) 4.0 2.2 2.0
assign (resid   30 and  name HE1  )(resid   45  and  name HB2  ) 4.0 2.2 2.0
assign (resid   30 and  name HD1  )(resid   45  and  name HG   ) 4.0 2.2 2.0
assign (resid   30 and  name HE1  )(resid   45  and  name HG   ) 4.0 2.2 2.0
assign (resid   30 and  name HD1  )(resid   45  and  name HD2# ) 4.0 3.7 2.5 !#
assign (resid   30 and  name HN   )(resid   40 and  name HA   ) 4.0 2.2 1.0
assign (resid   30 and  name HD2  )(resid   41 and  name HN   ) 4.0 2.2 1.0
assign (resid   30 and  name HB2  )(resid   39 and  name HD2  ) 4.0 2.2 1.0
assign (resid   30 and  name HB1  )(resid   45 and  name HD2# ) 4.0 3.7 2.5 !#
assign (resid   30 and  name HA   )(resid   45 and  name HG   ) 4.0 2.2 1.0
!RESIDUE 31 HIS INTERRESIDUE FORWARD
assign (resid   31 and  name HE1  )(resid   38  and  name HB#  ) 3.0 2.2 1.3 !#
assign (resid   31 and  name HD2  )(resid   38  and  name HB#  ) 4.0 3.2 2.0 !#
assign (resid   31 and  name HA   )(resid   38 and  name HA   ) 3.0 1.2 0.3
assign (resid   31 and  name HA   )(resid   38 and  name HB2  ) 4.0 2.2 1.0
assign (resid   31 and  name HB1  )(resid   38  and  name HA   ) 4.0 2.2 2.0
assign (resid   31 and  name HB2  )(resid   38  and  name HA   ) 4.0 2.2 2.0
assign (resid   31 and  name HA   )(resid   38 and  name HB1  ) 4.0 2.2 1.0
assign (resid   31 and  name HA   )(resid   39 and  name HN   ) 4.0 2.2 1.0
assign (resid   31 and  name HA   )(resid   39 and  name HD2  ) 4.0 2.2 1.0
assign (resid   31 and  name HA   )(resid   39 and  name HE2  ) 4.0 2.2 1.0
assign (resid   31 and  name HA   )(resid   45  and  name HD2# ) 4.0 3.7 3.5 !#
assign (resid   31 and  name HN   )(resid   45  and  name HD2# ) 4.0 3.7 2.5 !#
!RESIDUE 32 CYS INTRARESIDUE
assign (resid   32 and  name HN   )(resid   38  and  name HA   ) 3.0 1.2 0.5
assign (resid   32 and  name HB2  )(resid   39  and  name HE2  ) 3.0 1.2 0.3
assign (resid   32 and  name HB1  )(resid   39  and  name HE2  ) 4.0 2.2 1.0
assign (resid   32 and  name HB1  )(resid   39  and  name HZ   ) 4.0 2.2 2.0
assign (resid   32 and  name HB2  )(resid   39  and  name HZ   ) 4.0 2.2 1.0
assign (resid   32 and  name HN   )(resid   39 and  name HD2  ) 4.0 2.2 1.0
assign (resid   32 and  name HA   )(resid   39  and  name HE2  ) 4.0 2.2 1.0
assign (resid   32 and  name HA   )(resid   45  and  name HA   ) 4.0 2.2 2.0
assign (resid   32 and  name HA   )(resid   45  and  name HD2# ) 3.0 2.7 1.8 !#
assign (resid   32 and  name HA   )(resid   45  and  name HD1# ) 4.0 3.7 2.5 !#
assign (resid   32 and  name HB1  )(resid   45  and  name HD2# ) 4.0 3.7 3.5 !#
assign (resid   32 and  name HB2  )(resid   45  and  name HD2# ) 4.0 3.7 2.5 !#
assign (resid   32 and  name HB2  )(resid   45  and  name HD1# ) 4.0 3.7 3.5 !#
assign (resid   32 and  name HB1  )(resid   48  and  name HD2  ) 4.0 2.2 1.0
assign (resid   32 and  name HB2  )(resid   48  and  name HD2  ) 4.0 2.2 1.0
assign (resid   32 and  name HA   )(resid   48  and  name HD2  ) 4.0 2.2 1.0
assign (resid   32 and  name HA   )(resid   49 and  name HE#  ) 4.0 3.7 2.5 !#
assign (resid   32 and  name HN   )(resid   39 and  name HE2  ) 4.0 2.2 1.0
!RESIDUE 33 THR INTERRESIDUE FORWARD
assign (resid   33 and  name HN   )(resid   45  and  name HD#  ) 4.0 4.6 3.4 !#
!RESIDUE 34 TYR INTERRESIDUE FORWARD
assign (resid   34 and  name HD2  )(resid   49  and  name HE#  ) 3.0 2.7 1.8 !#
assign (resid   34 and  name HE2  )(resid   49  and  name HE#  ) 3.0 2.7 1.8 !#
assign (resid   34 and  name HB2  )(resid   54  and  name HE1  ) 4.0 2.2 1.0
assign (resid   34 and  name HB1  )(resid   54  and  name HE1  ) 4.0 2.2 1.0
assign (resid   34 and  name HB2  )(resid   54  and  name HD2  ) 4.0 2.2 2.0
assign (resid   34 and  name HB1  )(resid   54  and  name HD2  ) 4.0 2.2 2.0
assign (resid   34 and  name HE1  )(resid   54  and  name HB2  ) 4.0 2.2 2.0
assign (resid   34 and  name HD2  )(resid   54 and  name HB2  ) 4.0 2.2 1.0
assign (resid   34 and  name HE2  )(resid   54 and  name HB2  ) 4.0 2.2 1.0
assign (resid   34 and  name HE1  )(resid   55 and  name HA   ) 4.0 2.2 1.0
!RESIDUE 35 CYS INTERRESIDUE FORWARD
assign (resid   35 and  name HA   )(resid   54  and  name HE1  ) 4.0 2.2 2.0
assign (resid   35 and  name HB2  )(resid   54  and  name HE1  ) 4.0 2.2 1.0
assign (resid   35 and  name HB1  )(resid   54  and  name HE1  ) 4.0 2.2 1.0
!RESIDUE 36 ASN INTERRESIDUE FORWARD
!RESIDUE 37 PHE INTERRESIDUE FORWARD
!RESIDUE 38 SER INTERRESIDUE FORWARD
!RESIDUE 39 PHE INTERRESIDUE FORWARD
assign (resid   39 and  name HB2  )(resid   45  and  name HB1  ) 4.0 2.2 2.0
assign (resid   39 and  name HB2  )(resid   45  and  name HB2  ) 4.0 2.2 1.0
assign (resid   39 and  name HB1  )(resid   45  and  name HB2  ) 4.0 2.2 1.0
assign (resid   39 and  name HB1  )(resid   45  and  name HD2# ) 4.0 3.7 2.5 !#
assign (resid   39 and  name HB2  )(resid   45  and  name HD2# ) 4.0 3.7 2.5 !#
assign (resid   39 and  name HN   )(resid   45 and  name HD2# ) 4.0 3.7 2.5 !#
assign (resid   39 and  name HB2  )(resid   45  and  name HA   ) 4.0 2.2 2.0
assign (resid   39 and  name HZ   )(resid   45  and  name HD2# ) 4.0 3.7 2.5 !#
assign (resid   39 and  name HD2  )(resid   45  and  name HD2# ) 3.0 2.7 1.8 !#
assign (resid   39 and  name HD2  )(resid   45  and  name HB2  ) 4.0 2.2 1.0
assign (resid   39 and  name HD2  )(resid   45  and  name HG   ) 4.0 2.2 2.0
assign (resid   39 and  name HE2  )(resid   45  and  name HD2# ) 4.0 3.7 2.5 !#
assign (resid   39 and  name HZ   )(resid   45  and  name HA   ) 4.0 2.2 1.0
assign (resid   39 and  name HD2  )(resid   45  and  name HA   ) 4.0 2.2 1.0
assign (resid   39 and  name HE#  )(resid   45  and  name HA   ) 4.0 4.2 4.0 !
assign (resid   39 and  name HZ   )(resid   48  and  name HB2  ) 4.0 2.2 1.0
assign (resid   39 and  name HZ   )(resid   48  and  name HB1  ) 3.0 1.2 0.3
assign (resid   39 and  name HZ   )(resid   48  and  name HA   ) 4.0 2.2 2.0
assign (resid   39 and  name HE2  )(resid   48 and  name HD2  ) 4.0 2.2 1.0
assign (resid   39 and  name HZ   )(resid   48 and  name HD2  ) 4.0 2.2 1.0
assign (resid   39 and  name HE1  )(resid   48 and  name HB2  ) 4.0 2.2 1.0
assign (resid   39 and  name HE2  )(resid   48 and  name HB2  ) 4.0 2.2 1.0
!RESIDUE 40 LYS INTERRESIDUE FORWARD
!RESIDUE 41 THR INTRARESIDUE
!RESIDUE 42 LYS INTERRESIDUE FORWARD
!RESIDUE 43 GLY INTERRESIDUE FORWARD
!RESIDUE 44 ASN INTERRESIDUE FORWARD
!RESIDUE 45 LEU INTERESIDUE FORWARD
!RESIDUE 46 THR INTERRESIDUE FORWARD
!RESIDUE 47 LYS INTERRESIDUE FORWARD
!RESIDUE 48 HIS INTERRESIDUE FORWARD
assign (resid   48 and  name HD2  )(resid   54 and  name HD2  ) 4.0 2.2 1.0
!RESIDUE 49 MET INTERRESIDUE FORWARD
!RESIDUE 50 LYS INTERRESIDUE FORWARD
!RESIDUE 51 SER INTERRESIDUE FORWARD
!RESDIUE 52 LYS INTERRESIDUE FORWARD
!RESIDUE 53 ALA INTERRESIDUE FORWARD
!RESIDUE 54 HIS INTERRESIDUE FORWARD
!RESIDUE 55 SER INTERRESIDUE FORWARD
!RESIUDE 56 LYS INTERRESIDUE FORWARD


!!Interdomain NOEs

!RESIDUE 27 VAL INTERRESIDUE FORWARD
assign (resid   27 and  name HN   )(resid   28  and  name HN   ) 4.0 2.2 1.0
assign (resid   27 and  name HA   )(resid   28  and  name HN   ) 2.5 0.7 0.2
assign (resid   27 and  name HB   )(resid   28  and  name HN   ) 4.0 2.2 1.0
assign (resid   27 and  name HG2# )(resid   28  and  name HN   ) 3.0 2.7 2.0 !
assign (resid   27 and  name HG2# )(resid   28  and  name HA   ) 4.0 3.7 2.5 !

!RESIDUE 23 THR INTERRESIDUE FORWARD
assign (resid   23 and  name HA   )(resid   28 and  name HN   ) 4.0 2.2 2.0
assign (resid   23 and  name HG2# )(resid   28 and  name HN   ) 4.0 3.7 2.5 !
assign (resid   23 and  name HA   )(resid   28 and  name HE   ) 4.0 3.2 2.0 !#
!RESIDUE 27 VAL INTERRESIDUE FORWARD
assign (resid   27 and  name HG2# )(resid   29  and  name HD1  ) 3.0 3.7 2.8 ! !#
assign (resid   27 and  name HG2# )(resid   29 and  name HD2  ) 3.0 3.7 2.8 ! !#
assign (resid   27 and  name HG2# )(resid   29 and  name HG#  ) 4.0 4.7 3.5 ! !#

!RESIDUE 23 THR INTERRESIDUE FORWARD
assign (resid   23 and  name HG2# )(resid   40 and  name HA   ) 4.0 3.7 2.5 !
assign (resid   23 and  name HG2# )(resid   40 and  name HB1  ) 3.0 2.7 1.8 !
assign (resid   23 and  name HG2# )(resid   40 and  name HB2  ) 3.0 2.7 1.8 !
assign (resid   23 and  name HG2# )(resid   40 and  name HE#  ) 4.0 4.7 3.5 ! !#
assign (resid   23 and  name HG2# )(resid   40 and  name HD#  ) 4.0 4.7 3.5 ! !#
assign (resid   23 and  name HG2# )(resid   40 and  name HN   ) 4.0 3.7 2.5 !
assign (resid   23 and  name HG2# )(resid   40 and  name HG#  ) 3.0 3.7 2.8 ! !#
assign (resid   23 and  name HG2# )(resid   41 and  name HG2# ) 3.0 4.2 3.3 ! !#
assign (resid   23 and  name HG2# )(resid   39 and  name HA   ) 4.0 3.7 2.5 !
!RESIDUE 27 VAL INTERRESIDUE FORWARD
assign (resid   27 and  name HG2# )(resid   40 and  name HE#  ) 4.0 4.7 3.5 ! !#
assign (resid   27 and  name HG1# )(resid   40 and  name HE#  ) 4.0 4.7 3.5 ! !#
assign (resid   27 and  name HB   )(resid   40 and  name HE#  ) 4.0 3.2 2.0 !#
assign (resid   27 and  name HG2# )(resid   40 and  name HD#  ) 4.0 4.7 3.5 ! !#
assign (resid   27 and  name HA   )(resid   40 and  name HD#  ) 4.0 1.2 2.0 !#



B. Torsion angle restraints

The torsion angle restraints are derived from coupling constant and NOE data
using the conformational grid search program STEREOSEARCH [Nilges, M.,
Clore, G.M. & Gronenborn, A.M. (1990) Biopolymers 29, 813-822].
They are represented by a square well potential
[Clore et al. (1986) EMBO J. 5, 2729-2735].  The upper and lower limits are 
given by i+j and i-j respectively, where the numbers are entered in the order
x,i,j,m.  x is the force constant and m the exponent used to compute the
torsion angle restraints target function.


cons dihed reset
!!Phi restraints minimum deviation = 30 degrees
 !!2 tyr
assign (resid 1 and name c )  (resid 2 and name n)
       (resid 2 and name ca)  (resid 2 and name c) 1.0 -105.0 60.0 2
 !!3 ile
assign (resid 2 and name c )  (resid 3 and name n)
       (resid 3 and name ca)  (resid 3 and name c) 1.0 -120.0 55.0 2
 !!4 cys
assign (resid 3 and name c )  (resid 4 and name n)
       (resid 4 and name ca)  (resid 4 and name c) 1.0 -105.0 70.0 2
 !!5 glu
assign (resid 4 and name c )  (resid 5 and name n)
       (resid 5 and name ca)  (resid 5 and name c) 1.0 -105.0 60.0 2
 !!6 glu
assign (resid 5 and name c )  (resid 6 and name n)
       (resid 6 and name ca)  (resid 6 and name c) 1.0 -60.0 40.0 2
 !!7 cys
assign (resid 6 and name c )  (resid 7 and name n)
       (resid 7 and name ca)  (resid 7 and name c) 1.0 -120.0 60.0 2
 !!9 ile
assign (resid 8 and name c )  (resid 9 and name n)
       (resid 9 and name ca)  (resid 9 and name c) 1.0 -60.0 135.0 2
 !!10 arg
assign (resid 9 and name c )  (resid 10 and name n)
       (resid 10 and name ca)  (resid 10 and name c) 1.0 -110.0 55.0 2
 !!11 abu
assign (resid 10 and name c )  (resid 11 and name n)
       (resid 11 and name ca)  (resid 11 and name c) 1.0 -95.0 70.0 2
 !!12 lys
assign (resid 11 and name c )  (resid 12 and name n)
       (resid 12 and name ca)  (resid 12 and name c) 1.0 -105.0 70.0 2
 !!13 lys
assign (resid 12 and name c )  (resid 13 and name n)
       (resid 13 and name ca)  (resid 13 and name c) 1.0 -95.0 50.0 2
 !!14 pro
assign (resid 13 and name c )  (resid 14 and name n)
       (resid 14 and name ca)  (resid 14 and name c) 1.0 -85.0 40.0 2
 !!15 ser
assign (resid 14 and name c )  (resid 15 and name n)
       (resid 15 and name ca)  (resid 15 and name c) 1.0 -100.0 75.0 2
 !!16 met
assign (resid 15 and name c )  (resid 16 and name n)
       (resid 16 and name ca)  (resid 16 and name c) 1.0 -100.0 55.0 2
 !!17 leu
assign (resid 16 and name c )  (resid 17 and name n)
       (resid 17 and name ca)  (resid 17 and name c) 1.0 -70.0 45.0 2
 !!18 lys
assign (resid 17 and name c )  (resid 18 and name n)
       (resid 18 and name ca)  (resid 18 and name c) 1.0 -50.0 30.0 2
 !!19 lys
assign (resid 18 and name c )  (resid 19 and name n)
       (resid 19 and name ca)  (resid 19 and name c) 1.0 -55.0 30.0 2
 !!20 his
assign (resid 19 and name c )  (resid 20 and name n)
       (resid 20 and name ca)  (resid 20 and name c) 1.0 -60.0 30.0 2
 !!21 ile
assign (resid 20 and name c )  (resid 21 and name n)
       (resid 21 and name ca)  (resid 21 and name c) 1.0 -60.0 30.0 2
 !!22 arg
assign (resid 21 and name c )  (resid 22 and name n)
       (resid 22 and name ca)  (resid 22 and name c) 1.0 -60.0 30.0 2
 !!23 thr
assign (resid 22 and name c )  (resid 23 and name n)
       (resid 23 and name ca)  (resid 23 and name c) 1.0 -60.0 30.0 2
 !!24 his
assign (resid 23 and name c )  (resid 24 and name n)
       (resid 24 and name ca)  (resid 24 and name c) 1.0 -70.0 40.0 2
 !!25 thr
assign (resid 24 and name c )  (resid 25 and name n)
       (resid 25 and name ca)  (resid 25 and name c) 1.0 -70.0 50.0 2
 !!26 asp
assign (resid 25 and name c )  (resid 26 and name n)
       (resid 26 and name ca)  (resid 26 and name c) 1.0 -115.0 60.0 2
 !!27 val
assign (resid 26 and name c )  (resid 27 and name n)
       (resid 27 and name ca)  (resid 27 and name c) 1.0 -90.0 70.0 2
 !!28 arg
assign (resid 27 and name c )  (resid 28 and name n)
       (resid 28 and name ca)  (resid 28 and name c) 1.0 -110.0 50.0 2
 !!29 pro
assign (resid 28 and name c )  (resid 29 and name n)
       (resid 29 and name ca)  (resid 29 and name c) 1.0 -70.0 30.0 2
 !!30 tyr
assign (resid 29 and name c )  (resid 30 and name n)
       (resid 30 and name ca)  (resid 30 and name c) 1.0 -100.0 50.0 2
 !!31 his
assign (resid 30 and name c )  (resid 31 and name n)
       (resid 31 and name ca)  (resid 31 and name c) 1.0 -115.0 30.0 2
 !!32 cys
assign (resid 31 and name c )  (resid 32 and name n)
       (resid 32 and name ca)  (resid 32 and name c) 1.0 -60.0 30.0 2
 !!33 thr
assign (resid 32 and name c )  (resid 33 and name n)
       (resid 33 and name ca)  (resid 33 and name c) 1.0 -70.0 40.0 2
 !!34 tyr
assign (resid 33 and name c )  (resid 34 and name n)
       (resid 34 and name ca)  (resid 34 and name c) 1.0 -110.0 60.0 2
 !!35 cys
assign (resid 34 and name c )  (resid 35 and name n)
       (resid 35 and name ca)  (resid 35 and name c) 1.0 -70.0 30.0 2
 !!36 asn
assign (resid 35 and name c )  (resid 36 and name n)
       (resid 36 and name ca)  (resid 36 and name c) 1.0 -120.0 40.0 2
 !!37 phe
assign (resid 36 and name c )  (resid 37 and name n)
       (resid 37 and name ca)  (resid 37 and name c) 1.0 -75.0 30.0 2
 !!38 ser
assign (resid 37 and name c )  (resid 38 and name n)
       (resid 38 and name ca)  (resid 38 and name c) 1.0 -115.0 50.0 2
 !!39 phe
assign (resid 38 and name c )  (resid 39 and name n)
       (resid 39 and name ca)  (resid 39 and name c) 1.0 -100.0 35.0 2
 !!40 lys
assign (resid 39 and name c )  (resid 40 and name n)
       (resid 40 and name ca)  (resid 40 and name c) 1.0 -90.0 65.0 2
 !!41 thr
assign (resid 40 and name c )  (resid 41 and name n)
       (resid 41 and name ca)  (resid 41 and name c) 1.0 -120.0 45.0 2
 !!42 lys
assign (resid 41 and name c )  (resid 42 and name n)
       (resid 42 and name ca)  (resid 42 and name c) 1.0 -50.0 45.0 2
 !!43 gly
assign (resid 42 and name c )  (resid 43 and name n)
       (resid 43 and name ca)  (resid 43 and name c) 1.0 -50.0 30.0 2
 !!44 asn
assign (resid 43 and name c )  (resid 44 and name n)
       (resid 44 and name ca)  (resid 44 and name c) 1.0 -60.0 30.0 2
 !!45 leu
assign (resid 44 and name c )  (resid 45 and name n)
       (resid 45 and name ca)  (resid 45 and name c) 1.0 -60.0 30.0 2
 !!46 thr
assign (resid 45 and name c )  (resid 46 and name n)
       (resid 46 and name ca)  (resid 46 and name c) 1.0 -60.0 30.0 2
 !!47 lys
assign (resid 46 and name c )  (resid 47 and name n)
       (resid 47 and name ca)  (resid 47 and name c) 1.0 -60.0 35.0 2
 !!48 his
assign (resid 47 and name c )  (resid 48 and name n)
       (resid 48 and name ca)  (resid 48 and name c) 1.0 -60.0 30.0 2
 !!49 met
assign (resid 48 and name c )  (resid 49 and name n)
       (resid 49 and name ca)  (resid 49 and name c) 1.0 -65.0 40.0 2
 !!50 lys
assign (resid 49 and name c )  (resid 50 and name n)
       (resid 50 and name ca)  (resid 50 and name c) 1.0 -65.0 30.0 2
 !!51 ser
assign (resid 50 and name c )  (resid 51 and name n)
       (resid 51 and name ca)  (resid 51 and name c) 1.0 -65.0 30.0 2
 !!52 lys
assign (resid 51 and name c )  (resid 52 and name n)
       (resid 52 and name ca)  (resid 52 and name c) 1.0 -80.0 30.0 2
 !!53 ala
assign (resid 52 and name c )  (resid 53 and name n)
       (resid 53 and name ca)  (resid 53 and name c) 1.0 -50.0 30.0 2
 !!54 his
assign (resid 53 and name c )  (resid 54 and name n)
       (resid 54 and name ca)  (resid 54 and name c) 1.0 -110.0 75.0 2
 !!55 ser
assign (resid 54 and name c )  (resid 55 and name n)
       (resid 55 and name ca)  (resid 55 and name c) 1.0 -125.0 50.0 2
 !!56 lys
assign (resid 55 and name c )  (resid 56 and name n) 
       (resid 56 and name ca)  (resid 56 and name c) 1.0 -110.0 60.0 2
 !!57 lys
assign (resid 56 and name c )  (resid 57 and name n)
       (resid 57 and name ca)  (resid 57 and name c) 1.0 -120.0 65.0 2



!!Psi restraints minimum deviation = 50 degrees
 !!2 tyr
assign (resid 2 and name n)  (resid 2 and name ca)
       (resid 2 and name c)  (resid 3 and name n ) 1.0 140.0 100.0 2
 !!3 ile
assign (resid 3 and name n)  (resid 3 and name ca)
       (resid 3 and name c)  (resid 4 and name n ) 1.0 135.0 50.0 2
 !!4 cys
assign (resid 4 and name n)  (resid 4 and name ca)
       (resid 4 and name c)  (resid 5 and name n) 1.0 110.0 85.0 2
 !!6 glu
assign (resid 6 and name n)  (resid 6 and name ca)
       (resid 6 and name c)  (resid 7 and name n) 1.0 25.0 130.0 2
 !!10 arg
assign (resid 10 and name n)  (resid 10 and name ca)
       (resid 10 and name c)  (resid 11 and name n) 1.0 135.0 80.0 2
 !!11 abu
assign (resid 11 and name n)  (resid 11 and name ca)
       (resid 11 and name c)  (resid 12 and name n) 1.0 155.0 90.0 2
 !!12 lys
assign (resid 12 and name n)  (resid 12 and name ca)
       (resid 12 and name c)  (resid 13 and name n) 1.0 -40.0 50.0 2
 !!13 lys
assign (resid 13 and name n)  (resid 13 and name ca)
       (resid 13 and name c)  (resid 14 and name n) 1.0 160.0 60.0 2
 !!14 pro
assign (resid 14 and name n)  (resid 14 and name ca)
       (resid 14 and name c)  (resid 15 and name n) 1.0 -30.0 50.0 2
 !!15 ser
assign (resid 15 and name n)  (resid 15 and name ca)
       (resid 15 and name c)  (resid 16 and name n) 1.0 -30.0 50.0 2
 !!16 met
assign (resid 16 and name n)  (resid 16 and name ca)
       (resid 16 and name c)  (resid 17 and name n) 1.0 -20.0 85.0 2
 !!17 leu
assign (resid 17 and name n)  (resid 17 and name ca)
       (resid 17 and name c)  (resid 18 and name n) 1.0 -65.0 50.0 2
 !!18 lys
assign (resid 18 and name n)  (resid 18 and name ca)
       (resid 18 and name c)  (resid 19 and name n) 1.0 -50.0 50.0 2
 !!19 lys
assign (resid 19 and name n)  (resid 19 and name ca)
       (resid 19 and name c)  (resid 20 and name n) 1.0 -50.0 50.0 2
 !!20 his
assign (resid 20 and name n)  (resid 20 and name ca)
       (resid 20 and name c)  (resid 21 and name n) 1.0 -40.0 50.0 2
 !!21 ile
assign (resid 21 and name n)  (resid 21 and name ca)
       (resid 21 and name c)  (resid 22 and name n) 1.0 -40.0 55.0 2
 !!22 arg
assign (resid 22 and name n)  (resid 22 and name ca)
       (resid 22 and name c)  (resid 23 and name n) 1.0 -40.0 50.0 2
 !!23 thr
assign (resid 23 and name n)  (resid 23 and name ca)
       (resid 23 and name c)  (resid 24 and name n) 1.0 -30.0 50.0 2
 !!24 his
assign (resid 24 and name n)  (resid 24 and name ca)
       (resid 24 and name c)  (resid 25 and name n) 1.0 -30.0 50.0 2
 !!25 thr
assign (resid 25 and name n)  (resid 25 and name ca)
       (resid 25 and name c)  (resid 26 and name n) 1.0 -30.0 90.0 2
 !!26 asp
assign (resid 26 and name n)  (resid 26 and name ca)
       (resid 26 and name c)  (resid 27 and name n) 1.0 -10.0 100.0 2
 !!27 val
assign (resid 27 and name n)  (resid 27 and name ca)
       (resid 27 and name c)  (resid 28 and name n) 1.0 80.0 90.0 2
 !!28 arg
assign (resid 28 and name n)  (resid 28 and name ca)
       (resid 28 and name c)  (resid 29 and name n) 1.0  80.0 50.0 2
 !!29 pro
assign (resid 29 and name n)  (resid 29 and name ca)
       (resid 29 and name c)  (resid 30 and name n) 1.0  -15.0 50.0 2
 !!30 tyr
assign (resid 30 and name n)  (resid 30 and name ca)
       (resid 30 and name c)  (resid 31 and name n) 1.0 110.0 50.0 2
 !!31 his
assign (resid 31 and name n)  (resid 31 and name ca)
       (resid 31 and name c)  (resid 32 and name n) 1.0 135.0 50.0 2
 !!32 cys
assign (resid 32 and name n)  (resid 32 and name ca)
       (resid 32 and name c)  (resid 33 and name n) 1.0 -155.0 130.0 2
 !!33 thr
assign (resid 33 and name n)  (resid 33 and name ca)
       (resid 33 and name c)  (resid 34 and name n) 1.0 20.0 85.0 2
 !!34 tyr
assign (resid 34 and name n)  (resid 34 and name ca)
       (resid 34 and name c)  (resid 35 and name n) 1.0 -90.0 90.0 2
 !!35 cys
assign (resid 35 and name n)  (resid 35 and name ca)
       (resid 35 and name c)  (resid 36 and name n) 1.0 -95.0 120.0 2
 !!37 phe
assign (resid 37 and name n)  (resid 37 and name ca)
       (resid 37 and name c)  (resid 38 and name n) 1.0 105.0 70.0 2
 !!38 ser
assign (resid 38 and name n)  (resid 38 and name ca)
       (resid 38 and name c)  (resid 39 and name n) 1.0 135.0 130.0 2
 !!39 phe
assign (resid 39 and name n)  (resid 39 and name ca)
       (resid 39 and name c)  (resid 40 and name n) 1.0 170.0 65.0 2
 !!40 lys
assign (resid 40 and name n)  (resid 40 and name ca)
       (resid 40 and name c)  (resid 41 and name n) 1.0 -40.0 85.0 2
 !!41 thr
assign (resid 41 and name n)  (resid 41 and name ca)
       (resid 41 and name c)  (resid 42 and name n) 1.0 170.0 50.0 2
 !!42 lys
assign (resid 42 and name n)  (resid 42 and name ca)
       (resid 42 and name c)  (resid 43 and name n) 1.0 -65.0 60.0 2
 !!44 asn
assign (resid 44 and name n)  (resid 44 and name ca)
       (resid 44 and name c)  (resid 45 and name n) 1.0 -65.0 60.0 2
 !!45 leu
assign (resid 45 and name n)  (resid 45 and name ca)
       (resid 45 and name c)  (resid 46 and name n) 1.0 -60.0 50.0 2
 !!46 thr
assign (resid 46 and name n)  (resid 46 and name ca)
       (resid 46 and name c)  (resid 47 and name n) 1.0 -50.0 50.0 2
 !!48 his
assign (resid 48 and name n)  (resid 48 and name ca)
       (resid 48 and name c)  (resid 49 and name n) 1.0 -55.0 60.0 2
 !!49 met
assign (resid 49 and name n)  (resid 49 and name ca)
       (resid 49 and name c)  (resid 50 and name n) 1.0 -10.0 50.0 2
 !!50 lys
assign (resid 50 and name n)  (resid 50 and name ca)
       (resid 50 and name c)  (resid 51 and name n) 1.0 -60.0 70.0 2
 !!53 his
assign (resid 53 and name n)  (resid 53 and name ca)
       (resid 53 and name c)  (resid 54 and name n) 1.0 -90.0 50.0 2
 !!54 his
assign (resid 54 and name n)  (resid 54 and name ca)
       (resid 54 and name c)  (resid 55 and name n) 1.0 60.0 50.0 2
  !!56 lys



!!chi restraints minimum deviation = 20 degrees
!5, 12, 16, 22 need checking
 !!2 tyr
assign (resid 2 and name n )  (resid 2 and name ca)
       (resid 2 and name cb)  (resid 2 and name cg) 1.0 -55.0 25.0 2
 !!3 ile
assign (resid 3 and name n )  (resid 3 and name ca)
       (resid 3 and name cb)  (resid 3 and name cg1)  1.0 -60.0 20.0 2
 !!4 cys
assign (resid 4 and name n )  (resid 4 and name ca)
       (resid 4 and name cb)  (resid 4 and name sg) 1.0 175.0 25.0 2
 !!5 glu
assign (resid 5 and name n )  (resid 5 and name ca)
       (resid 5 and name cb)  (resid 5 and name cg) 1.0 -55.0 25.0 2
 !!6 glu
assign (resid 6 and name n )  (resid 6 and name ca)
       (resid 6 and name cb)  (resid 6 and name cg) 1.0 -175.0 25.0 2
 !!7 cys
assign (resid 7 and name n )  (resid 7 and name ca)
       (resid 7 and name cb)  (resid 7 and name sg) 1.0 -55.0 30.0 2
 !!9 ile
assign (resid 9 and name n )  (resid 9 and name ca)
       (resid 9 and name cb)  (resid 9 and name cg1) 1.0 -175.0 30.0 2
 !!10 arg
assign (resid 10 and name n )  (resid 10 and name ca)
       (resid 10 and name cb)  (resid 10 and name cg) 1.0 180.0 20.0 2
 !!11 abu
assign (resid 11 and name n )  (resid 11 and name ca)
       (resid 11 and name cb)  (resid 11 and name cg) 1.0 -60.0 25.0 2
 !!12 lys
assign (resid 12 and name n )  (resid 12 and name ca)
       (resid 12 and name cb)  (resid 12 and name cg) 1.0 -60.0 30.0 2
 !!13 lys
assign (resid 13 and name n )  (resid 13 and name ca)
       (resid 13 and name cb)  (resid 13 and name cg) 1.0 -60.0 20.0 2
 !!14 pro
assign (resid 14 and name n )  (resid 14 and name ca)
       (resid 14 and name cb)  (resid 14 and name cg) 1.0 0.0 30.0 2
 !!15 ser
assign (resid 15 and name n )  (resid 15 and name ca)
       (resid 15 and name cb)  (resid 15 and name og) 1.0 60.0 25.0 2
 !!16 met
assign (resid 16 and name n )  (resid 16 and name ca)
       (resid 16 and name cb)  (resid 16 and name cg) 1.0 -60.0 20.0 2
 !!17 leu
assign (resid 17 and name n )  (resid 17 and name ca)
       (resid 17 and name cb)  (resid 17 and name cg) 1.0 180.0 20.0 2
 !!20 his
assign (resid 20 and name n )  (resid 20 and name ca)
       (resid 20 and name cb)  (resid 20 and name cg) 1.0 175.0 30.0 2
 !!21 ile
assign (resid 21 and name n )  (resid 21 and name ca)
       (resid 21 and name cb)  (resid 21 and name cg1) 1.0 180.0 30.0 2
 !!22 arg
assign (resid 22 and name n )  (resid 22 and name ca)
       (resid 22 and name cb)  (resid 22 and name cg) 1.0 -55.0 25.0 2
 !!23 thr
assign (resid 23 and name n )  (resid 23 and name ca)
       (resid 23 and name cb)  (resid 23 and name og1) 1.0 -60.0 20.0 2
 !!24 his
assign (resid 24 and name n )  (resid 24 and name ca)
       (resid 24 and name cb)  (resid 24 and name cg)  1.0 -60.0 30.0 2
 !!25 thr    
assign (resid 25 and name n )  (resid 25 and name ca)
       (resid 25 and name cb)  (resid 25 and name og1) 1.0  60.0 30.0 2 
 !!26 asp
assign (resid 26 and name n )  (resid 26 and name ca)
       (resid 26 and name cb)  (resid 26 and name cg) 1.0 -60.0 20.0 2
 !!27 val
assign (resid 27 and name n )  (resid 27 and name ca)
       (resid 27 and name cb)  (resid 27 and name cg1) 1.0 60.0 30.0 2
 !!28 arg
assign (resid 28 and name n )  (resid 28 and name ca)
       (resid 28 and name cb)  (resid 28 and name cg)1.0 -60.0 20.0 2
 !!29 pro
assign (resid 29 and name n )  (resid 29 and name ca)
       (resid 29 and name cb)  (resid 29 and name cg) 1.0 0.0 30.0 2
 !!30 tyr
assign (resid 30 and name n )  (resid 30 and name ca)
       (resid 30 and name cb)  (resid 30 and name cg) 1.0 -60.0 20.0 2
 !!31 his
assign (resid 31 and name n )  (resid 31 and name ca)
       (resid 31 and name cb)  (resid 31 and name cg) 1.0 -60.0 30.0 2
 !!32 cys
assign (resid 32 and name n )  (resid 32 and name ca)
       (resid 32 and name cb)  (resid 32 and name sg) 1.0 175.0 25.0 2
 !!33 thr
assign (resid 33 and name n )  (resid 33 and name ca)
       (resid 33 and name cb)  (resid 33 and name og1) 1.0 -60.0 25.0 2
 !!34 tyr
assign (resid 34 and name n )  (resid 34 and name ca)
       (resid 34 and name cb)  (resid 34 and name cg) 1.0 -60.0 20.0 2
 !!35 cys
assign (resid 35 and name n )  (resid 35 and name ca)
       (resid 35 and name cb)  (resid 35 and name sg) 1.0 -60.0 25.0 2
 !!36 asn
assign (resid 36 and name n )  (resid 36 and name ca)
       (resid 36 and name cb)  (resid 36 and name cg) 1.0 180.0 25.0 2
 !!37 phe
assign (resid 37 and name n )  (resid 37 and name ca)
       (resid 37 and name cb)  (resid 37 and name cg) 1.0 180.0 35.0 2
 !!38 ser
assign (resid 38 and name n )  (resid 38 and name ca)
       (resid 38 and name cb)  (resid 38 and name og) 1.0 180.0 25.0 2
 !!39 phe
assign (resid 39 and name n )  (resid 39 and name ca)
       (resid 39 and name cb)  (resid 39 and name cg) 1.0 -55.0 25.0 2
 !!40 lys
assign (resid 40 and name n )  (resid 40 and name ca)
       (resid 40 and name cb)  (resid 40 and name cg) 1.0 180.0 25.0 2
 !!41 thr
assign (resid 41 and name n )  (resid 41 and name ca)
       (resid 41 and name cb)  (resid 41 and name og1) 1.0 55.0 25.0 2
 !!42 lys
assign (resid 42 and name n )  (resid 42 and name ca)
       (resid 42 and name cb)  (resid 42 and name cg) 1.0 180.0 20.0 2
 !!44 asn
assign (resid 44 and name n )  (resid 44 and name ca)
       (resid 44 and name cb)  (resid 44 and name cg) 1.0 -55.0 25.0 2
 !!45 leu
assign (resid 45 and name n )  (resid 45 and name ca)
       (resid 45 and name cb)  (resid 45 and name cg) 1.0 180.0 20.0 2
 !!46 thr
assign (resid 46 and name n )  (resid 46 and name ca)
       (resid 46 and name cb)  (resid 46 and name og1) 1.0 -65.0 25.0 2
 !!48 his
assign (resid 48 and name n )  (resid 48 and name ca)
       (resid 48 and name cb)  (resid 48 and name cg) 1.0 180.0 25.0 2
 !!49 met
assign (resid 49 and name n )  (resid 49 and name ca)
       (resid 49 and name cb)  (resid 49 and name cg) 1.0 -55.0 25.0 2
 !!50 lys
assign (resid 50 and name n )  (resid 50 and name ca)
       (resid 50 and name cb)  (resid 50 and name cg) 1.0 180.0 30.0 2
 !!54 his
assign (resid 54 and name n )  (resid 54 and name ca)
       (resid 54 and name cb)  (resid 54 and name cg) 1.0 60.0 30.0 2
 !!56 lys
assign (resid 56 and name n )  (resid 56 and name ca)
       (resid 56 and name cb)  (resid 56 and name cg) 1.0 -55.0 25.0 2


  Entry H atom name         Orig H atom name
  Start of MODEL           1
 Raw file had 499 H/Q atoms
  Start of MODEL    1
    1   1H    LYS   1           HT1      LYS   1  -7.660  -0.979 -10.303
    2   2H    LYS   1           HT2      LYS   1  -6.722  -2.393 -10.362
    3   3H    LYS   1           HT3      LYS   1  -7.217  -1.764  -8.864
    4    HA   LYS   1           HA       LYS   1  -9.052  -2.779 -10.961
    5   1HB   LYS   1           HB1      LYS   1  -7.825  -4.675 -10.039
    6   2HB   LYS   1           HB2      LYS   1  -9.387  -4.653  -9.234
    7   1HG   LYS   1           HG1      LYS   1  -8.336  -3.365  -7.349
    8   2HG   LYS   1           HG2      LYS   1  -6.776  -3.556  -8.139
    9   1HD   LYS   1           HD1      LYS   1  -8.584  -5.841  -7.270
   10   2HD   LYS   1           HD2      LYS   1  -7.154  -5.300  -6.398
   11   1HE   LYS   1           HE1      LYS   1  -6.197  -6.989  -7.665
   12   2HE   LYS   1           HE2      LYS   1  -6.012  -5.655  -8.797
   13   1HZ   LYS   1           HZ1      LYS   1  -7.330  -6.665 -10.225
   14   2HZ   LYS   1           HZ2      LYS   1  -8.568  -6.819  -9.074
   15   3HZ   LYS   1           HZ3      LYS   1  -7.372  -8.018  -9.199
   16    OH   TYR   2           OH       TYR   2  -7.537   2.814  -8.411
   17    H    TYR   2           HN       TYR   2 -11.201  -2.645 -10.417
   18    HA   TYR   2           HA       TYR   2 -11.953  -1.612  -7.761
   19   1HB   TYR   2           HB1      TYR   2 -13.124   0.344  -8.718
   20   2HB   TYR   2           HB2      TYR   2 -12.578  -0.089 -10.333
   21    HD1  TYR   2           HD2      TYR   2 -11.402   0.950  -6.969
   22    HD2  TYR   2           HD1      TYR   2 -10.388   0.515 -11.074
   23    HE1  TYR   2           HE2      TYR   2  -9.351   2.238  -6.597
   24    HE2  TYR   2           HE1      TYR   2  -8.324   1.786 -10.700
   25    HH   TYR   2           HH       TYR   2  -6.809   2.192  -8.340
   26    H    ILE   3           HN       ILE   3 -12.789  -3.926  -8.197
   27    HA   ILE   3           HA       ILE   3 -15.597  -3.654  -9.186
   28    HB   ILE   3           HB       ILE   3 -13.571  -5.869  -9.775
   29   1HG1  ILE   3          HG11      ILE   3 -14.098  -3.660 -11.228
   30   2HG1  ILE   3          HG12      ILE   3 -15.388  -4.693 -11.827
   31   1HG2  ILE   3          HG21      ILE   3 -16.615  -5.827  -9.924
   32   2HG2  ILE   3          HG22      ILE   3 -15.583  -7.065  -9.216
   33   3HG2  ILE   3          HG23      ILE   3 -15.675  -6.891 -10.965
   34   1HD1  ILE   3           HD1      ILE   3 -13.395  -5.013 -13.210
   35   2HD1  ILE   3           HD2      ILE   3 -13.695  -6.478 -12.281
   36   3HD1  ILE   3           HD3      ILE   3 -12.427  -5.363 -11.782
   37    H    CYS   4           HN       CYS   4 -16.803  -3.915  -7.395
   38    HA   CYS   4           HA       CYS   4 -15.905  -5.170  -5.028
   39   1HB   CYS   4           HB1      CYS   4 -18.672  -4.666  -6.132
   40   2HB   CYS   4           HB2      CYS   4 -17.839  -3.765  -4.894
   41    H    GLU   5           HN       GLU   5 -15.526  -7.201  -4.588
   42    HA   GLU   5           HA       GLU   5 -16.130  -9.307  -6.436
   43   1HB   GLU   5           HB1      GLU   5 -15.357 -10.730  -4.356
   44   2HB   GLU   5           HB2      GLU   5 -14.995  -9.168  -3.632
   45   1HG   GLU   5           HG1      GLU   5 -12.973  -9.890  -4.715
   46   2HG   GLU   5           HG2      GLU   5 -13.659  -8.636  -5.745
   47    H    GLU   6           HN       GLU   6 -17.979  -7.866  -3.976
   48    HA   GLU   6           HA       GLU   6 -19.556 -10.281  -3.493
   49   1HB   GLU   6           HB1      GLU   6 -20.198  -7.483  -2.505
   50   2HB   GLU   6           HB2      GLU   6 -18.958  -8.460  -1.729
   51   1HG   GLU   6           HG1      GLU   6 -21.784  -9.452  -2.191
   52   2HG   GLU   6           HG2      GLU   6 -21.281  -8.654  -0.704
   53    H    CYS   7           HN       CYS   7 -20.558  -6.955  -4.240
   54    HA   CYS   7           HA       CYS   7 -22.978  -7.913  -5.525
   55   1HB   CYS   7           HB1      CYS   7 -23.506  -5.625  -5.822
   56   2HB   CYS   7           HB2      CYS   7 -21.837  -5.149  -5.904
   57    H    GLY   8           HN       GLY   8 -19.887  -6.613  -6.641
   58   1HA   GLY   8           HA1      GLY   8 -20.532  -7.658  -9.353
   59   2HA   GLY   8           HA2      GLY   8 -18.914  -7.295  -8.763
   60    H    ILE   9           HN       ILE   9 -20.191  -4.755  -7.576
   61    HA   ILE   9           HA       ILE   9 -21.095  -3.137  -9.712
   62    HB   ILE   9           HB       ILE   9 -21.018  -2.751  -7.066
   63   1HG1  ILE   9          HG11      ILE   9 -20.766  -0.617  -9.209
   64   2HG1  ILE   9          HG12      ILE   9 -21.134  -0.232  -7.533
   65   1HG2  ILE   9          HG21      ILE   9 -18.407  -2.637  -7.242
   66   2HG2  ILE   9          HG22      ILE   9 -19.192  -1.370  -6.319
   67   3HG2  ILE   9          HG23      ILE   9 -18.644  -1.046  -7.956
   68   1HD1  ILE   9           HD1      ILE   9 -22.952  -1.068  -9.554
   69   2HD1  ILE   9           HD2      ILE   9 -23.303  -0.780  -7.854
   70   3HD1  ILE   9           HD3      ILE   9 -22.852  -2.390  -8.399
   71    NH1  ARG  10           NH1      ARG  10 -16.284  -2.614 -18.228
   72    NH2  ARG  10           NH2      ARG  10 -15.430  -4.415 -17.110
   73    H    ARG  10           HN       ARG  10 -20.098  -1.844 -11.156
   74    HA   ARG  10           HA       ARG  10 -17.143  -2.183 -11.402
   75   1HB   ARG  10           HB1      ARG  10 -19.184  -1.289 -13.496
   76   2HB   ARG  10           HB2      ARG  10 -18.682  -2.959 -13.281
   77   1HG   ARG  10           HG1      ARG  10 -16.274  -1.509 -13.439
   78   2HG   ARG  10           HG2      ARG  10 -17.309  -0.789 -14.664
   79   1HD   ARG  10           HD1      ARG  10 -17.832  -3.164 -15.447
   80   2HD   ARG  10           HD2      ARG  10 -16.531  -3.707 -14.389
   81    HE   ARG  10           HE       ARG  10 -15.284  -1.772 -15.863
   82   1HH1  ARG  10          HH11      ARG  10 -16.618  -1.672 -18.205
   83   2HH1  ARG  10          HH12      ARG  10 -16.264  -3.117 -19.092
   84   1HH2  ARG  10          HH21      ARG  10 -15.124  -4.822 -16.250
   85   2HH2  ARG  10          HH22      ARG  10 -15.396  -4.948 -17.955
   86    H    ABA  11           HN       ABU  11 -16.133  -0.490 -10.512
   87    HA   ABA  11           HA       ABU  11 -17.011   2.241 -11.349
   88   1HB   ABA  11           HB1      ABU  11 -16.212   2.887  -8.927
   89   2HB   ABA  11           HB2      ABU  11 -16.432   1.187  -8.566
   90   1HG   ABA  11           HG1      ABU  11 -18.555   3.035  -9.692
   91   2HG   ABA  11           HG2      ABU  11 -18.484   2.439  -8.036
   92   3HG   ABA  11           HG3      ABU  11 -18.773   1.320  -9.363
   93    H    LYS  12           HN       LYS  12 -15.256   1.943 -12.877
   94    HA   LYS  12           HA       LYS  12 -12.600   1.380 -12.383
   95   1HB   LYS  12           HB1      LYS  12 -12.099   2.997 -14.257
   96   2HB   LYS  12           HB2      LYS  12 -13.749   3.600 -14.134
   97   1HG   LYS  12           HG1      LYS  12 -14.535   1.208 -14.498
   98   2HG   LYS  12           HG2      LYS  12 -12.867   0.796 -14.878
   99   1HD   LYS  12           HD1      LYS  12 -13.096   2.903 -16.504
  100   2HD   LYS  12           HD2      LYS  12 -14.803   2.481 -16.420
  101   1HE   LYS  12           HE1      LYS  12 -12.548   0.600 -17.195
  102   2HE   LYS  12           HE2      LYS  12 -13.719   1.309 -18.300
  103   1HZ   LYS  12           HZ1      LYS  12 -14.456  -0.854 -17.796
  104   2HZ   LYS  12           HZ2      LYS  12 -15.471   0.203 -16.937
  105   3HZ   LYS  12           HZ3      LYS  12 -14.234  -0.633 -16.127
  106    H    LYS  13           HN       LYS  13 -14.330   4.198 -11.275
  107    HA   LYS  13           HA       LYS  13 -11.811   5.577 -10.640
  108   1HB   LYS  13           HB1      LYS  13 -13.325   7.402  -9.818
  109   2HB   LYS  13           HB2      LYS  13 -14.703   6.336 -10.036
  110   1HG   LYS  13           HG1      LYS  13 -14.656   7.685 -12.003
  111   2HG   LYS  13           HG2      LYS  13 -14.000   6.132 -12.494
  112   1HD   LYS  13           HD1      LYS  13 -11.820   7.724 -11.523
  113   2HD   LYS  13           HD2      LYS  13 -12.750   8.709 -12.641
  114   1HE   LYS  13           HE1      LYS  13 -12.662   6.858 -14.307
  115   2HE   LYS  13           HE2      LYS  13 -11.670   5.925 -13.193
  116   1HZ   LYS  13           HZ1      LYS  13 -10.187   6.964 -14.644
  117   2HZ   LYS  13           HZ2      LYS  13 -10.113   7.889 -13.222
  118   3HZ   LYS  13           HZ3      LYS  13 -10.993   8.457 -14.559
  119    HA   PRO  14           HA       PRO  14 -11.545   3.929  -6.515
  120   1HB   PRO  14           HB1      PRO  14  -9.577   4.939  -5.873
  121   2HB   PRO  14           HB2      PRO  14 -10.510   6.321  -5.297
  122   1HG   PRO  14           HG1      PRO  14  -8.730   6.304  -7.512
  123   2HG   PRO  14           HG2      PRO  14  -9.862   7.592  -7.098
  124   1HD   PRO  14           HD1      PRO  14 -10.997   7.089  -9.026
  125   2HD   PRO  14           HD2      PRO  14 -10.017   5.628  -9.263
  126    H    SER  15           HN       SER  15 -12.137   7.421  -6.091
  127    HA   SER  15           HA       SER  15 -13.668   7.504  -3.851
  128   1HB   SER  15           HB1      SER  15 -13.247   9.510  -5.290
  129   2HB   SER  15           HB2      SER  15 -14.983   9.390  -4.944
  130    HG   SER  15           HG1      SER  15 -14.040   9.500  -7.282
  131    H    MET  16           HN       MET  16 -14.919   6.542  -7.023
  132    HA   MET  16           HA       MET  16 -17.612   6.146  -6.111
  133   1HB   MET  16           HB1      MET  16 -17.640   4.613  -8.234
  134   2HB   MET  16           HB2      MET  16 -15.984   5.153  -8.475
  135   1HG   MET  16           HG1      MET  16 -18.528   6.714  -8.576
  136   2HG   MET  16           HG2      MET  16 -17.191   6.719  -9.694
  137   1HE   MET  16           HE1      MET  16 -18.987   9.057  -8.656
  138   2HE   MET  16           HE2      MET  16 -18.321  10.070  -7.375
  139   3HE   MET  16           HE3      MET  16 -19.040   8.509  -6.980
  140    H    LEU  17           HN       LEU  17 -14.973   3.813  -6.745
  141    HA   LEU  17           HA       LEU  17 -16.482   1.626  -5.606
  142   1HB   LEU  17           HB1      LEU  17 -13.449   1.754  -5.915
  143   2HB   LEU  17           HB2      LEU  17 -14.490   1.541  -7.302
  144    HG   LEU  17           HG       LEU  17 -13.497  -0.610  -6.271
  145   1HD1  LEU  17          HD11      LEU  17 -13.968   0.073  -3.897
  146   2HD1  LEU  17          HD12      LEU  17 -14.523  -1.536  -4.325
  147   3HD1  LEU  17          HD13      LEU  17 -15.676  -0.220  -4.222
  148   1HD2  LEU  17          HD21      LEU  17 -15.378  -0.739  -7.833
  149   2HD2  LEU  17          HD22      LEU  17 -16.517  -0.428  -6.535
  150   3HD2  LEU  17          HD23      LEU  17 -15.587  -1.915  -6.547
  151    H    LYS  18           HN       LYS  18 -13.522   3.267  -4.501
  152    HA   LYS  18           HA       LYS  18 -13.131   2.286  -2.005
  153   1HB   LYS  18           HB1      LYS  18 -13.080   5.124  -3.058
  154   2HB   LYS  18           HB2      LYS  18 -11.734   4.111  -2.552
  155   1HG   LYS  18           HG1      LYS  18 -12.750   4.282  -0.170
  156   2HG   LYS  18           HG2      LYS  18 -13.704   5.615  -0.812
  157   1HD   LYS  18           HD1      LYS  18 -11.155   6.201  -1.732
  158   2HD   LYS  18           HD2      LYS  18 -10.846   5.531  -0.135
  159   1HE   LYS  18           HE1      LYS  18 -12.520   7.096   0.828
  160   2HE   LYS  18           HE2      LYS  18 -12.790   7.777  -0.772
  161   1HZ   LYS  18           HZ1      LYS  18 -11.266   9.192   0.235
  162   2HZ   LYS  18           HZ2      LYS  18 -10.309   8.220  -0.776
  163   3HZ   LYS  18           HZ3      LYS  18 -10.357   7.919   0.895
  164    H    LYS  19           HN       LYS  19 -15.755   4.480  -2.879
  165    HA   LYS  19           HA       LYS  19 -16.741   4.625  -0.166
  166   1HB   LYS  19           HB1      LYS  19 -18.860   5.466  -1.568
  167   2HB   LYS  19           HB2      LYS  19 -17.705   5.503  -2.894
  168   1HG   LYS  19           HG1      LYS  19 -16.193   6.912  -1.468
  169   2HG   LYS  19           HG2      LYS  19 -17.455   6.958  -0.242
  170   1HD   LYS  19           HD1      LYS  19 -19.006   7.855  -2.081
  171   2HD   LYS  19           HD2      LYS  19 -17.554   8.087  -3.050
  172   1HE   LYS  19           HE1      LYS  19 -17.705  10.160  -1.996
  173   2HE   LYS  19           HE2      LYS  19 -16.665   9.297  -0.871
  174   1HZ   LYS  19           HZ1      LYS  19 -18.171   9.524   0.705
  175   2HZ   LYS  19           HZ2      LYS  19 -19.370   8.797  -0.253
  176   3HZ   LYS  19           HZ3      LYS  19 -19.110  10.473  -0.345
  177    H    HIS  20           HN       HIS  20 -17.658   2.922  -3.123
  178    HA   HIS  20           HA       HIS  20 -19.974   1.628  -2.159
  179   1HB   HIS  20           HB1      HIS  20 -17.857   0.616  -4.099
  180   2HB   HIS  20           HB2      HIS  20 -19.283   1.548  -4.547
  181    HD1  HIS  20           HD1      HIS  20 -21.251   0.086  -5.022
  182    HD2  HIS  20           HD2      HIS  20 -18.456  -1.936  -2.863
  183    HE1  HIS  20           HE1      HIS  20 -22.119  -2.194  -4.817
  184    H    ILE  21           HN       ILE  21 -16.612   0.444  -2.218
  185    HA   ILE  21           HA       ILE  21 -17.188  -1.995  -0.886
  186    HB   ILE  21           HB       ILE  21 -15.026  -1.500  -2.047
  187   1HG1  ILE  21          HG11      ILE  21 -15.139  -2.569   0.732
  188   2HG1  ILE  21          HG12      ILE  21 -13.542  -2.210   0.096
  189   1HG2  ILE  21          HG21      ILE  21 -14.793   0.832  -1.186
  190   2HG2  ILE  21          HG22      ILE  21 -13.339  -0.099  -0.892
  191   3HG2  ILE  21          HG23      ILE  21 -14.464   0.214   0.424
  192   1HD1  ILE  21           HD1      ILE  21 -13.859  -3.664  -1.777
  193   2HD1  ILE  21           HD2      ILE  21 -15.588  -3.795  -1.475
  194   3HD1  ILE  21           HD3      ILE  21 -14.442  -4.562  -0.380
  195    NH1  ARG  22           NH1      ARG  22 -14.280   6.428   4.411
  196    NH2  ARG  22           NH2      ARG  22 -14.871   5.286   6.300
  197    H    ARG  22           HN       ARG  22 -16.554   1.248   0.376
  198    HA   ARG  22           HA       ARG  22 -16.355   0.360   3.139
  199   1HB   ARG  22           HB1      ARG  22 -17.018   2.890   3.512
  200   2HB   ARG  22           HB2      ARG  22 -16.868   3.022   1.764
  201   1HG   ARG  22           HG1      ARG  22 -14.557   2.211   1.869
  202   2HG   ARG  22           HG2      ARG  22 -14.700   1.953   3.604
  203   1HD   ARG  22           HD1      ARG  22 -15.480   4.666   2.817
  204   2HD   ARG  22           HD2      ARG  22 -13.812   4.297   2.384
  205    HE   ARG  22           HE       ARG  22 -13.798   3.442   4.924
  206   1HH1  ARG  22          HH11      ARG  22 -13.968   6.409   3.461
  207   2HH1  ARG  22          HH12      ARG  22 -14.452   7.304   4.863
  208   1HH2  ARG  22          HH21      ARG  22 -15.000   4.411   6.767
  209   2HH2  ARG  22          HH22      ARG  22 -15.052   6.143   6.784
  210    H    THR  23           HN       THR  23 -19.001   0.776   0.992
  211    HA   THR  23           HA       THR  23 -20.979   1.378   3.013
  212    HB   THR  23           HB       THR  23 -21.343   0.012   0.274
  213    HG1  THR  23           HG1      THR  23 -20.869   2.580   1.233
  214   1HG2  THR  23          HG21      THR  23 -23.519  -0.097   1.258
  215   2HG2  THR  23          HG22      THR  23 -23.549   1.557   0.658
  216   3HG2  THR  23          HG23      THR  23 -23.194   1.239   2.353
  217    H    HIS  24           HN       HIS  24 -19.462  -1.569   1.927
  218    HA   HIS  24           HA       HIS  24 -21.505  -3.345   2.974
  219   1HB   HIS  24           HB1      HIS  24 -19.462  -4.999   2.952
  220   2HB   HIS  24           HB2      HIS  24 -18.571  -3.668   2.219
  221    HD1  HIS  24           HD1      HIS  24 -21.686  -5.641   1.517
  222    HD2  HIS  24           HD2      HIS  24 -18.938  -3.399  -0.492
  223    HE1  HIS  24           HE1      HIS  24 -22.235  -5.900  -0.876
  224    H    THR  25           HN       THR  25 -19.979  -1.127   4.622
  225    HA   THR  25           HA       THR  25 -19.087  -2.824   6.879
  226    HB   THR  25           HB       THR  25 -18.358  -0.542   7.784
  227    HG1  THR  25           HG1      THR  25 -19.799   0.106   5.478
  228   1HG2  THR  25          HG21      THR  25 -17.670  -1.107   4.855
  229   2HG2  THR  25          HG22      THR  25 -16.719  -1.618   6.244
  230   3HG2  THR  25          HG23      THR  25 -16.828   0.090   5.832
  231    H    ASP  26           HN       ASP  26 -20.149   0.167   7.836
  232    HA   ASP  26           HA       ASP  26 -22.913  -0.650   8.427
  233   1HB   ASP  26           HB1      ASP  26 -22.569  -0.200  10.890
  234   2HB   ASP  26           HB2      ASP  26 -20.845   0.005  10.593
  235    H    VAL  27           HN       VAL  27 -21.561   1.305   6.855
  236    HA   VAL  27           HA       VAL  27 -22.113   3.838   8.285
  237    HB   VAL  27           HB       VAL  27 -19.998   3.639   7.035
  238   1HG1  VAL  27          HG11      VAL  27 -20.813   1.934   5.405
  239   2HG1  VAL  27          HG12      VAL  27 -19.958   3.252   4.624
  240   3HG1  VAL  27          HG13      VAL  27 -21.714   3.187   4.576
  241   1HG2  VAL  27          HG21      VAL  27 -21.849   5.713   6.748
  242   2HG2  VAL  27          HG22      VAL  27 -21.287   5.414   5.107
  243   3HG2  VAL  27          HG23      VAL  27 -20.131   5.801   6.376
  244    NH1  ARG  28           NH2      ARG  28 -27.634  -1.559   2.292
  245    NH2  ARG  28           NH1      ARG  28 -26.522  -2.835   3.826
  246    H    ARG  28           HN       ARG  28 -24.396   2.438   7.829
  247    HA   ARG  28           HA       ARG  28 -25.709   3.866   5.550
  248   1HB   ARG  28           HB1      ARG  28 -27.440   1.975   5.852
  249   2HB   ARG  28           HB2      ARG  28 -26.283   1.221   6.942
  250   1HG   ARG  28           HG1      ARG  28 -24.599   1.542   4.962
  251   2HG   ARG  28           HG2      ARG  28 -26.046   1.706   3.980
  252   1HD   ARG  28           HD1      ARG  28 -26.709  -0.503   5.421
  253   2HD   ARG  28           HD2      ARG  28 -24.959  -0.696   5.350
  254    HE   ARG  28           HE       ARG  28 -25.419  -0.251   2.761
  255   1HH1  ARG  28          HH21      ARG  28 -27.744  -0.680   1.827
  256   2HH1  ARG  28          HH22      ARG  28 -28.239  -2.323   2.066
  257   1HH2  ARG  28          HH11      ARG  28 -25.797  -2.914   4.511
  258   2HH2  ARG  28          HH12      ARG  28 -27.108  -3.621   3.626
  259    HA   PRO  29           HA       PRO  29 -27.465   5.637   9.470
  260   1HB   PRO  29           HB1      PRO  29 -26.822   7.833   9.301
  261   2HB   PRO  29           HB2      PRO  29 -28.009   8.089   8.022
  262   1HG   PRO  29           HG1      PRO  29 -25.123   7.885   7.765
  263   2HG   PRO  29           HG2      PRO  29 -26.303   8.217   6.496
  264   1HD   PRO  29           HD1      PRO  29 -26.107   6.093   5.697
  265   2HD   PRO  29           HD2      PRO  29 -24.818   5.803   6.876
  266    OH   TYR  30           OH       TYR  30 -29.104  10.635   3.136
  267    H    TYR  30           HN       TYR  30 -28.687   5.447   6.208
  268    HA   TYR  30           HA       TYR  30 -31.395   6.282   6.929
  269   1HB   TYR  30           HB1      TYR  30 -31.947   5.409   4.623
  270   2HB   TYR  30           HB2      TYR  30 -30.314   4.774   4.494
  271    HD1  TYR  30           HD1      TYR  30 -32.052   7.991   5.331
  272    HD2  TYR  30           HD2      TYR  30 -28.704   6.141   3.469
  273    HE1  TYR  30           HE1      TYR  30 -31.272  10.180   4.550
  274    HE2  TYR  30           HE2      TYR  30 -27.923   8.329   2.695
  275    HH   TYR  30           HH       TYR  30 -29.738  10.968   2.496
  276    H    HIS  31           HN       HIS  31 -32.008   4.940   8.657
  277    HA   HIS  31           HA       HIS  31 -32.148   2.012   8.108
  278   1HB   HIS  31           HB1      HIS  31 -32.489   1.765  10.501
  279   2HB   HIS  31           HB2      HIS  31 -32.879   3.473  10.686
  280    HD1  HIS  31           HD1      HIS  31 -29.972   1.316  10.004
  281    HD2  HIS  31           HD2      HIS  31 -30.711   5.178  10.994
  282    HE1  HIS  31           HE1      HIS  31 -27.793   2.255  10.513
  283    H    CYS  32           HN       CYS  32 -34.052   0.941   7.834
  284    HA   CYS  32           HA       CYS  32 -36.395   2.363   7.093
  285   1HB   CYS  32           HB1      CYS  32 -35.832  -0.496   7.933
  286   2HB   CYS  32           HB2      CYS  32 -36.235   0.104   6.345
  287    H    THR  33           HN       THR  33 -38.418   2.572   8.173
  288    HA   THR  33           HA       THR  33 -38.080   3.134  11.032
  289    HB   THR  33           HB       THR  33 -40.697   3.297   9.444
  290    HG1  THR  33           HG1      THR  33 -39.786   5.487   9.084
  291   1HG2  THR  33          HG21      THR  33 -40.657   3.871  11.949
  292   2HG2  THR  33          HG22      THR  33 -41.040   5.261  10.939
  293   3HG2  THR  33          HG23      THR  33 -39.419   5.071  11.599
  294    OH   TYR  34           OH       TYR  34 -44.762   2.420   9.215
  295    H    TYR  34           HN       TYR  34 -38.281   0.334   9.699
  296    HA   TYR  34           HA       TYR  34 -39.995  -0.784  11.853
  297   1HB   TYR  34           HB1      TYR  34 -41.060  -2.350  10.225
  298   2HB   TYR  34           HB2      TYR  34 -40.163  -1.608   8.909
  299    HD1  TYR  34           HD2      TYR  34 -40.610   0.836   8.358
  300    HD2  TYR  34           HD1      TYR  34 -43.078  -1.370  11.029
  301    HE1  TYR  34           HE2      TYR  34 -42.404   2.482   8.063
  302    HE2  TYR  34           HE1      TYR  34 -44.870   0.278  10.731
  303    HH   TYR  34           HH       TYR  34 -45.602   1.957   9.263
  304    H    CYS  35           HN       CYS  35 -38.208  -1.942   9.009
  305    HA   CYS  35           HA       CYS  35 -37.199  -4.280  10.339
  306   1HB   CYS  35           HB1      CYS  35 -35.792  -4.522   8.361
  307   2HB   CYS  35           HB2      CYS  35 -35.981  -2.839   7.960
  308    H    ASN  36           HN       ASN  36 -34.662  -4.567   9.966
  309    HA   ASN  36           HA       ASN  36 -33.374  -2.431  11.614
  310   1HB   ASN  36           HB1      ASN  36 -32.278  -5.243  11.319
  311   2HB   ASN  36           HB2      ASN  36 -33.651  -4.980  12.392
  312   1HD2  ASN  36          HD21      ASN  36 -30.382  -5.218  12.505
  313   2HD2  ASN  36          HD22      ASN  36 -30.044  -4.169  13.796
  314    H    PHE  37           HN       PHE  37 -33.697  -3.274   8.571
  315    HA   PHE  37           HA       PHE  37 -30.880  -3.406   7.754
  316   1HB   PHE  37           HB1      PHE  37 -33.167  -2.827   5.859
  317   2HB   PHE  37           HB2      PHE  37 -33.071  -4.424   6.600
  318    HD1  PHE  37           HD2      PHE  37 -30.902  -5.748   6.339
  319    HD2  PHE  37           HD1      PHE  37 -31.716  -2.240   4.069
  320    HE1  PHE  37           HE2      PHE  37 -29.176  -6.395   4.714
  321    HE2  PHE  37           HE1      PHE  37 -29.987  -2.889   2.449
  322    HZ   PHE  37           HZ       PHE  37 -28.716  -4.965   2.772
  323    H    SER  38           HN       SER  38 -30.015  -1.825   6.200
  324    HA   SER  38           HA       SER  38 -31.292   0.823   6.294
  325   1HB   SER  38           HB1      SER  38 -28.428   0.411   7.274
  326   2HB   SER  38           HB2      SER  38 -29.814   0.628   8.356
  327    HG   SER  38           HG1      SER  38 -29.399   2.676   7.985
  328    H    PHE  39           HN       PHE  39 -29.989   2.436   5.033
  329    HA   PHE  39           HA       PHE  39 -28.450   1.117   2.847
  330   1HB   PHE  39           HB1      PHE  39 -29.799   2.250   1.200
  331   2HB   PHE  39           HB2      PHE  39 -30.514   3.306   2.416
  332    HD1  PHE  39           HD2      PHE  39 -32.061   2.318   4.142
  333    HD2  PHE  39           HD1      PHE  39 -30.715   0.046   0.805
  334    HE1  PHE  39           HE2      PHE  39 -33.860   0.695   4.525
  335    HE2  PHE  39           HE1      PHE  39 -32.522  -1.576   1.189
  336    HZ   PHE  39           HZ       PHE  39 -34.087  -1.257   3.059
  337    H    LYS  40           HN       LYS  40 -27.148   2.598   1.608
  338    HA   LYS  40           HA       LYS  40 -25.954   4.659   3.332
  339   1HB   LYS  40           HB1      LYS  40 -25.283   3.536   0.568
  340   2HB   LYS  40           HB2      LYS  40 -24.485   3.151   2.077
  341   1HG   LYS  40           HG1      LYS  40 -24.439   5.851   0.681
  342   2HG   LYS  40           HG2      LYS  40 -23.103   4.721   0.810
  343   1HD   LYS  40           HD1      LYS  40 -23.482   4.904   3.373
  344   2HD   LYS  40           HD2      LYS  40 -24.367   6.371   2.987
  345   1HE   LYS  40           HE1      LYS  40 -22.006   6.898   3.440
  346   2HE   LYS  40           HE2      LYS  40 -22.386   7.221   1.754
  347   1HZ   LYS  40           HZ1      LYS  40 -20.511   5.401   2.851
  348   2HZ   LYS  40           HZ2      LYS  40 -20.711   5.900   1.240
  349   3HZ   LYS  40           HZ3      LYS  40 -21.607   4.588   1.839
  350    H    THR  41           HN       THR  41 -28.239   4.482   0.815
  351    HA   THR  41           HA       THR  41 -28.087   7.453   0.483
  352    HB   THR  41           HB       THR  41 -28.505   7.205  -1.890
  353    HG1  THR  41           HG1      THR  41 -29.077   4.948  -2.526
  354   1HG2  THR  41          HG21      THR  41 -27.057   4.566  -1.342
  355   2HG2  THR  41          HG22      THR  41 -26.227   6.088  -1.034
  356   3HG2  THR  41          HG23      THR  41 -26.770   5.696  -2.662
  357    H    LYS  42           HN       LYS  42 -30.080   8.478  -0.017
  358    HA   LYS  42           HA       LYS  42 -32.277   7.358   1.482
  359   1HB   LYS  42           HB1      LYS  42 -31.986   9.874  -0.219
  360   2HB   LYS  42           HB2      LYS  42 -31.885   9.780   1.535
  361   1HG   LYS  42           HG1      LYS  42 -34.286   8.837   1.451
  362   2HG   LYS  42           HG2      LYS  42 -34.322   9.401  -0.217
  363   1HD   LYS  42           HD1      LYS  42 -33.782  11.688   0.532
  364   2HD   LYS  42           HD2      LYS  42 -33.702  11.133   2.200
  365   1HE   LYS  42           HE1      LYS  42 -35.918  12.206   1.456
  366   2HE   LYS  42           HE2      LYS  42 -36.035  10.647   2.261
  367   1HZ   LYS  42           HZ1      LYS  42 -35.799  10.727  -0.662
  368   2HZ   LYS  42           HZ2      LYS  42 -37.297  11.083   0.055
  369   3HZ   LYS  42           HZ3      LYS  42 -36.560   9.578   0.331
  370    H    GLY  43           HN       GLY  43 -31.271   7.340  -1.787
  371   1HA   GLY  43           HA1      GLY  43 -32.274   6.434  -3.709
  372   2HA   GLY  43           HA2      GLY  43 -33.781   7.129  -3.120
  373    H    ASN  44           HN       ASN  44 -31.595   4.484  -2.168
  374    HA   ASN  44           HA       ASN  44 -33.319   2.356  -2.708
  375   1HB   ASN  44           HB1      ASN  44 -32.021   1.262  -0.696
  376   2HB   ASN  44           HB2      ASN  44 -31.144   2.787  -0.636
  377   1HD2  ASN  44          HD21      ASN  44 -30.689   3.482  -3.217
  378   2HD2  ASN  44          HD22      ASN  44 -29.861   2.264  -4.060
  379    H    LEU  45           HN       LEU  45 -33.260   4.509   0.062
  380    HA   LEU  45           HA       LEU  45 -34.893   3.048   1.838
  381   1HB   LEU  45           HB1      LEU  45 -35.192   6.039   1.406
  382   2HB   LEU  45           HB2      LEU  45 -33.691   5.399   2.050
  383    HG   LEU  45           HG       LEU  45 -35.285   6.118   3.845
  384   1HD1  LEU  45          HD11      LEU  45 -37.032   3.773   3.040
  385   2HD1  LEU  45          HD12      LEU  45 -37.342   5.410   2.477
  386   3HD1  LEU  45          HD13      LEU  45 -37.381   5.047   4.197
  387   1HD2  LEU  45          HD21      LEU  45 -34.656   4.407   5.255
  388   2HD2  LEU  45          HD22      LEU  45 -33.654   3.982   3.879
  389   3HD2  LEU  45          HD23      LEU  45 -35.169   3.141   4.150
  390    H    THR  46           HN       THR  46 -35.960   5.625  -0.388
  391    HA   THR  46           HA       THR  46 -38.724   5.196  -0.098
  392    HB   THR  46           HB       THR  46 -37.259   5.974  -2.694
  393    HG1  THR  46           HG1      THR  46 -36.625   7.158  -0.842
  394   1HG2  THR  46          HG21      THR  46 -39.311   7.031  -3.298
  395   2HG2  THR  46          HG22      THR  46 -39.839   7.165  -1.624
  396   3HG2  THR  46          HG23      THR  46 -39.938   5.617  -2.458
  397    H    LYS  47           HN       LYS  47 -36.357   3.495  -2.039
  398    HA   LYS  47           HA       LYS  47 -38.238   2.006  -3.624
  399   1HB   LYS  47           HB1      LYS  47 -35.501   0.989  -2.762
  400   2HB   LYS  47           HB2      LYS  47 -35.651   2.301  -3.925
  401   1HG   LYS  47           HG1      LYS  47 -37.395  -0.018  -4.479
  402   2HG   LYS  47           HG2      LYS  47 -35.673  -0.366  -4.586
  403   1HD   LYS  47           HD1      LYS  47 -35.352   1.474  -6.158
  404   2HD   LYS  47           HD2      LYS  47 -37.031   1.968  -5.974
  405   1HE   LYS  47           HE1      LYS  47 -36.373   0.471  -8.021
  406   2HE   LYS  47           HE2      LYS  47 -37.844   0.094  -7.134
  407   1HZ   LYS  47           HZ1      LYS  47 -36.883  -1.708  -6.120
  408   2HZ   LYS  47           HZ2      LYS  47 -35.298  -1.141  -6.339
  409   3HZ   LYS  47           HZ3      LYS  47 -36.166  -1.765  -7.658
  410    H    HIS  48           HN       HIS  48 -36.872   1.540  -0.428
  411    HA   HIS  48           HA       HIS  48 -37.980  -1.178  -0.241
  412   1HB   HIS  48           HB1      HIS  48 -36.557   0.654   1.752
  413   2HB   HIS  48           HB2      HIS  48 -35.899  -0.776   0.962
  414    HD1  HIS  48           HD1      HIS  48 -37.468  -2.975   1.597
  415    HD2  HIS  48           HD2      HIS  48 -37.525   0.115   4.274
  416    HE1  HIS  48           HE1      HIS  48 -38.298  -3.939   3.685
  417    H    MET  49           HN       MET  49 -38.985   2.036   0.420
  418    HA   MET  49           HA       MET  49 -41.071   1.138   2.314
  419   1HB   MET  49           HB1      MET  49 -41.673   3.696   2.087
  420   2HB   MET  49           HB2      MET  49 -40.129   3.823   1.252
  421   1HG   MET  49           HG1      MET  49 -39.653   4.265   3.529
  422   2HG   MET  49           HG2      MET  49 -39.080   2.648   3.220
  423   1HE   MET  49           HE1      MET  49 -40.057   4.004   6.554
  424   2HE   MET  49           HE2      MET  49 -38.747   3.391   5.545
  425   3HE   MET  49           HE3      MET  49 -39.535   2.326   6.710
  426    H    LYS  50           HN       LYS  50 -40.707   2.090  -1.021
  427    HA   LYS  50           HA       LYS  50 -43.458   2.608  -1.594
  428   1HB   LYS  50           HB1      LYS  50 -41.570   1.263  -3.560
  429   2HB   LYS  50           HB2      LYS  50 -41.288   2.929  -3.067
  430   1HG   LYS  50           HG1      LYS  50 -44.066   2.205  -3.895
  431   2HG   LYS  50           HG2      LYS  50 -42.853   2.317  -5.165
  432   1HD   LYS  50           HD1      LYS  50 -42.265   4.588  -4.449
  433   2HD   LYS  50           HD2      LYS  50 -43.391   4.479  -3.101
  434   1HE   LYS  50           HE1      LYS  50 -45.173   4.950  -4.423
  435   2HE   LYS  50           HE2      LYS  50 -44.648   3.819  -5.664
  436   1HZ   LYS  50           HZ1      LYS  50 -44.706   6.205  -6.337
  437   2HZ   LYS  50           HZ2      LYS  50 -43.221   5.425  -6.596
  438   3HZ   LYS  50           HZ3      LYS  50 -43.408   6.479  -5.277
  439    H    SER  51           HN       SER  51 -41.628  -0.344  -1.264
  440    HA   SER  51           HA       SER  51 -43.478  -2.108  -2.540
  441   1HB   SER  51           HB1      SER  51 -41.454  -2.507  -0.277
  442   2HB   SER  51           HB2      SER  51 -41.277  -2.978  -1.978
  443    HG   SER  51           HG1      SER  51 -42.153  -4.781  -1.328
  444    H    LYS  52           HN       LYS  52 -45.031  -3.507  -1.597
  445    HA   LYS  52           HA       LYS  52 -46.687  -2.185   0.377
  446   1HB   LYS  52           HB1      LYS  52 -47.728  -3.545  -1.381
  447   2HB   LYS  52           HB2      LYS  52 -48.064  -4.318   0.163
  448   1HG   LYS  52           HG1      LYS  52 -46.109  -5.829  -0.200
  449   2HG   LYS  52           HG2      LYS  52 -45.860  -5.091  -1.778
  450   1HD   LYS  52           HD1      LYS  52 -47.232  -6.775  -2.497
  451   2HD   LYS  52           HD2      LYS  52 -48.511  -5.705  -1.935
  452   1HE   LYS  52           HE1      LYS  52 -47.251  -8.026  -0.452
  453   2HE   LYS  52           HE2      LYS  52 -48.937  -7.836  -0.918
  454   1HZ   LYS  52           HZ1      LYS  52 -48.729  -7.350   1.382
  455   2HZ   LYS  52           HZ2      LYS  52 -49.025  -5.886   0.575
  456   3HZ   LYS  52           HZ3      LYS  52 -47.457  -6.260   1.108
  457    H    ALA  53           HN       ALA  53 -43.897  -3.329   1.045
  458    HA   ALA  53           HA       ALA  53 -44.106  -5.473   2.850
  459   1HB   ALA  53           HB1      ALA  53 -42.367  -2.961   2.947
  460   2HB   ALA  53           HB2      ALA  53 -41.924  -4.524   2.268
  461   3HB   ALA  53           HB3      ALA  53 -42.121  -4.344   4.008
  462    H    HIS  54           HN       HIS  54 -43.492  -2.318   4.270
  463    HA   HIS  54           HA       HIS  54 -45.967  -2.530   5.866
  464   1HB   HIS  54           HB1      HIS  54 -44.638  -3.578   7.455
  465   2HB   HIS  54           HB2      HIS  54 -44.263  -1.913   7.872
  466    HD1  HIS  54           HD1      HIS  54 -42.746  -4.901   6.474
  467    HD2  HIS  54           HD2      HIS  54 -41.665  -0.980   6.904
  468    HE1  HIS  54           HE1      HIS  54 -40.319  -4.854   6.169
  469    H    SER  55           HN       SER  55 -46.613  -0.673   4.784
  470    HA   SER  55           HA       SER  55 -45.486   1.794   5.966
  471   1HB   SER  55           HB1      SER  55 -45.687   1.187   2.972
  472   2HB   SER  55           HB2      SER  55 -44.273   1.775   3.868
  473    HG   SER  55           HG1      SER  55 -45.527   3.431   2.743
  474    H    LYS  56           HN       LYS  56 -47.665   1.205   7.001
  475    HA   LYS  56           HA       LYS  56 -50.048   1.745   5.415
  476   1HB   LYS  56           HB1      LYS  56 -51.209   1.587   7.605
  477   2HB   LYS  56           HB2      LYS  56 -49.668   1.684   8.449
  478   1HG   LYS  56           HG1      LYS  56 -48.948  -0.405   7.239
  479   2HG   LYS  56           HG2      LYS  56 -50.575  -0.528   6.578
  480   1HD   LYS  56           HD1      LYS  56 -50.845  -1.832   8.473
  481   2HD   LYS  56           HD2      LYS  56 -51.245  -0.259   9.153
  482   1HE   LYS  56           HE1      LYS  56 -49.649  -0.987  10.684
  483   2HE   LYS  56           HE2      LYS  56 -48.627  -0.117   9.547
  484   1HZ   LYS  56           HZ1      LYS  56 -48.517  -2.812  10.257
  485   2HZ   LYS  56           HZ2      LYS  56 -47.533  -1.973   9.156
  486   3HZ   LYS  56           HZ3      LYS  56 -48.952  -2.734   8.618
  487    H    LYS  57           HN       LYS  57 -48.399   3.858   5.002
  488    HA   LYS  57           HA       LYS  57 -48.590   6.049   6.740
  489   1HB   LYS  57           HB1      LYS  57 -48.860   6.369   3.735
  490   2HB   LYS  57           HB2      LYS  57 -47.360   5.755   4.422
  491   1HG   LYS  57           HG1      LYS  57 -47.238   7.769   5.888
  492   2HG   LYS  57           HG2      LYS  57 -48.696   8.391   5.123
  493   1HD   LYS  57           HD1      LYS  57 -47.444   8.137   2.891
  494   2HD   LYS  57           HD2      LYS  57 -45.989   7.913   3.856
  495   1HE   LYS  57           HE1      LYS  57 -47.665  10.359   3.490
  496   2HE   LYS  57           HE2      LYS  57 -45.917  10.212   3.614
  497   1HZ   LYS  57           HZ1      LYS  57 -45.997  10.101   5.898
  498   2HZ   LYS  57           HZ2      LYS  57 -47.626   9.623   5.937
  499   3HZ   LYS  57                 LYS  57 -47.220  11.227   5.555
   
  Start of MODEL           2
 Raw file had 499 H/Q atoms
  Start of MODEL    2
    1   1H    LYS   1           HT1      LYS   1 -10.789  -5.690 -10.151
    2   2H    LYS   1           HT2      LYS   1  -9.483  -5.986  -9.105
    3   3H    LYS   1           HT3      LYS   1  -9.229  -5.919 -10.783
    4    HA   LYS   1           HA       LYS   1  -8.540  -3.909  -9.447
    5   1HB   LYS   1           HB1      LYS   1  -9.289  -2.396 -11.233
    6   2HB   LYS   1           HB2      LYS   1 -10.609  -3.479 -11.658
    7   1HG   LYS   1           HG1      LYS   1  -9.199  -5.021 -12.677
    8   2HG   LYS   1           HG2      LYS   1  -7.817  -4.568 -11.687
    9   1HD   LYS   1           HD1      LYS   1  -7.589  -3.791 -14.051
   10   2HD   LYS   1           HD2      LYS   1  -7.591  -2.456 -12.905
   11   1HE   LYS   1           HE1      LYS   1  -9.108  -2.257 -15.010
   12   2HE   LYS   1           HE2      LYS   1  -9.801  -1.830 -13.450
   13   1HZ   LYS   1           HZ1      LYS   1 -10.029  -4.616 -14.240
   14   2HZ   LYS   1           HZ2      LYS   1 -10.950  -3.506 -15.136
   15   3HZ   LYS   1           HZ3      LYS   1 -11.148  -3.611 -13.453
   16    OH   TYR   2           OH       TYR   2  -7.292   2.428  -8.372
   17    H    TYR   2           HN       TYR   2 -10.910  -2.013 -10.382
   18    HA   TYR   2           HA       TYR   2 -11.921  -1.706  -7.638
   19   1HB   TYR   2           HB1      TYR   2 -13.034   0.315  -8.590
   20   2HB   TYR   2           HB2      TYR   2 -12.529  -0.169 -10.205
   21    HD1  TYR   2           HD2      TYR   2 -11.256   0.840  -6.867
   22    HD2  TYR   2           HD1      TYR   2 -10.314   0.287 -10.976
   23    HE1  TYR   2           HE2      TYR   2  -9.118   1.995  -6.533
   24    HE2  TYR   2           HE1      TYR   2  -8.170   1.429 -10.638
   25    HH   TYR   2           HH       TYR   2  -6.672   2.095  -9.026
   26    H    ILE   3           HN       ILE   3 -12.793  -4.086  -8.484
   27    HA   ILE   3           HA       ILE   3 -15.681  -3.611  -9.116
   28    HB   ILE   3           HB       ILE   3 -14.099  -6.158  -9.681
   29   1HG1  ILE   3          HG11      ILE   3 -13.085  -4.326 -10.958
   30   2HG1  ILE   3          HG12      ILE   3 -14.669  -3.817 -11.534
   31   1HG2  ILE   3          HG21      ILE   3 -16.598  -5.103 -11.069
   32   2HG2  ILE   3          HG22      ILE   3 -16.725  -5.999  -9.559
   33   3HG2  ILE   3          HG23      ILE   3 -16.023  -6.765 -10.981
   34   1HD1  ILE   3           HD1      ILE   3 -14.949  -5.786 -12.838
   35   2HD1  ILE   3           HD2      ILE   3 -13.657  -6.631 -11.990
   36   3HD1  ILE   3           HD3      ILE   3 -13.270  -5.324 -13.106
   37    H    CYS   4           HN       CYS   4 -16.883  -3.955  -7.340
   38    HA   CYS   4           HA       CYS   4 -15.876  -5.320  -5.053
   39   1HB   CYS   4           HB1      CYS   4 -18.705  -4.658  -5.904
   40   2HB   CYS   4           HB2      CYS   4 -17.707  -3.751  -4.803
   41    H    GLU   5           HN       GLU   5 -15.378  -7.362  -5.009
   42    HA   GLU   5           HA       GLU   5 -16.349  -9.346  -6.779
   43   1HB   GLU   5           HB1      GLU   5 -15.456 -10.911  -4.855
   44   2HB   GLU   5           HB2      GLU   5 -14.947  -9.410  -4.091
   45   1HG   GLU   5           HG1      GLU   5 -14.087 -10.502  -6.783
   46   2HG   GLU   5           HG2      GLU   5 -13.070 -10.140  -5.391
   47    H    GLU   6           HN       GLU   6 -17.785  -8.006  -3.958
   48    HA   GLU   6           HA       GLU   6 -19.453 -10.330  -3.442
   49   1HB   GLU   6           HB1      GLU   6 -19.980  -7.547  -2.372
   50   2HB   GLU   6           HB2      GLU   6 -18.627  -8.484  -1.752
   51   1HG   GLU   6           HG1      GLU   6 -20.144 -10.315  -1.131
   52   2HG   GLU   6           HG2      GLU   6 -21.511  -9.441  -1.818
   53    H    CYS   7           HN       CYS   7 -20.333  -6.948  -4.151
   54    HA   CYS   7           HA       CYS   7 -22.912  -7.807  -5.205
   55   1HB   CYS   7           HB1      CYS   7 -23.305  -5.469  -5.612
   56   2HB   CYS   7           HB2      CYS   7 -21.605  -5.108  -5.639
   57    H    GLY   8           HN       GLY   8 -20.067  -6.223  -6.606
   58   1HA   GLY   8           HA1      GLY   8 -20.810  -7.411  -9.249
   59   2HA   GLY   8           HA2      GLY   8 -19.148  -7.141  -8.731
   60    H    ILE   9           HN       ILE   9 -20.219  -4.527  -7.481
   61    HA   ILE   9           HA       ILE   9 -21.114  -2.882  -9.619
   62    HB   ILE   9           HB       ILE   9 -21.068  -2.428  -7.029
   63   1HG1  ILE   9          HG11      ILE   9 -20.627  -0.489  -9.269
   64   2HG1  ILE   9          HG12      ILE   9 -20.600   0.126  -7.621
   65   1HG2  ILE   9          HG21      ILE   9 -18.441  -1.063  -7.790
   66   2HG2  ILE   9          HG22      ILE   9 -18.460  -2.666  -7.064
   67   3HG2  ILE   9          HG23      ILE   9 -19.112  -1.296  -6.183
   68   1HD1  ILE   9           HD1      ILE   9 -22.817  -1.718  -8.482
   69   2HD1  ILE   9           HD2      ILE   9 -22.892  -0.011  -8.905
   70   3HD1  ILE   9           HD3      ILE   9 -22.825  -0.496  -7.214
   71    NH1  ARG  10           NH2      ARG  10 -17.283  -4.019 -17.561
   72    NH2  ARG  10           NH1      ARG  10 -15.992  -5.531 -16.434
   73    H    ARG  10           HN       ARG  10 -20.067  -1.904 -11.236
   74    HA   ARG  10           HA       ARG  10 -17.106  -2.278 -11.369
   75   1HB   ARG  10           HB1      ARG  10 -19.004  -1.516 -13.629
   76   2HB   ARG  10           HB2      ARG  10 -18.676  -3.190 -13.201
   77   1HG   ARG  10           HG1      ARG  10 -16.223  -1.608 -13.453
   78   2HG   ARG  10           HG2      ARG  10 -17.159  -1.623 -14.942
   79   1HD   ARG  10           HD1      ARG  10 -16.550  -4.154 -13.389
   80   2HD   ARG  10           HD2      ARG  10 -15.493  -3.548 -14.663
   81    HE   ARG  10           HE       ARG  10 -18.357  -4.273 -15.151
   82   1HH1  ARG  10          HH21      ARG  10 -17.970  -3.294 -17.537
   83   2HH1  ARG  10          HH22      ARG  10 -16.901  -4.316 -18.437
   84   1HH2  ARG  10          HH11      ARG  10 -15.712  -5.937 -15.565
   85   2HH2  ARG  10          HH12      ARG  10 -15.588  -5.852 -17.291
   86    H    ABA  11           HN       ABU  11 -16.180  -0.515 -10.489
   87    HA   ABA  11           HA       ABU  11 -17.060   2.151 -11.553
   88   1HB   ABA  11           HB1      ABU  11 -16.278   3.089  -9.398
   89   2HB   ABA  11           HB2      ABU  11 -15.791   1.500  -8.859
   90   1HG   ABA  11           HG1      ABU  11 -17.950   1.875  -7.887
   91   2HG   ABA  11           HG2      ABU  11 -18.222   0.776  -9.236
   92   3HG   ABA  11           HG3      ABU  11 -18.598   2.489  -9.405
   93    H    LYS  12           HN       LYS  12 -15.640   2.523 -13.122
   94    HA   LYS  12           HA       LYS  12 -12.934   1.684 -13.153
   95   1HB   LYS  12           HB1      LYS  12 -12.725   3.265 -15.057
   96   2HB   LYS  12           HB2      LYS  12 -14.236   4.037 -14.591
   97   1HG   LYS  12           HG1      LYS  12 -15.446   1.917 -14.952
   98   2HG   LYS  12           HG2      LYS  12 -13.938   1.117 -15.378
   99   1HD   LYS  12           HD1      LYS  12 -13.657   2.769 -17.252
  100   2HD   LYS  12           HD2      LYS  12 -15.247   3.417 -16.867
  101   1HE   LYS  12           HE1      LYS  12 -14.541   0.675 -17.919
  102   2HE   LYS  12           HE2      LYS  12 -15.683   1.839 -18.579
  103   1HZ   LYS  12           HZ1      LYS  12 -16.868   1.494 -16.325
  104   2HZ   LYS  12           HZ2      LYS  12 -15.984   0.046 -16.274
  105   3HZ   LYS  12           HZ3      LYS  12 -17.056   0.343 -17.558
  106    H    LYS  13           HN       LYS  13 -14.074   3.619 -10.881
  107    HA   LYS  13           HA       LYS  13 -11.526   5.134 -10.748
  108   1HB   LYS  13           HB1      LYS  13 -12.950   7.089  -9.815
  109   2HB   LYS  13           HB2      LYS  13 -14.347   6.217 -10.438
  110   1HG   LYS  13           HG1      LYS  13 -13.334   6.228 -12.703
  111   2HG   LYS  13           HG2      LYS  13 -11.949   7.111 -12.076
  112   1HD   LYS  13           HD1      LYS  13 -14.620   8.285 -11.481
  113   2HD   LYS  13           HD2      LYS  13 -14.110   8.340 -13.163
  114   1HE   LYS  13           HE1      LYS  13 -12.306   9.224 -10.898
  115   2HE   LYS  13           HE2      LYS  13 -13.409  10.330 -11.706
  116   1HZ   LYS  13           HZ1      LYS  13 -12.159   9.107 -13.765
  117   2HZ   LYS  13           HZ2      LYS  13 -10.917   9.242 -12.615
  118   3HZ   LYS  13           HZ3      LYS  13 -11.750  10.628 -13.130
  119    HA   PRO  14           HA       PRO  14 -11.446   3.701  -6.549
  120   1HB   PRO  14           HB1      PRO  14  -9.405   4.598  -5.954
  121   2HB   PRO  14           HB2      PRO  14 -10.249   6.042  -5.399
  122   1HG   PRO  14           HG1      PRO  14  -8.475   5.897  -7.605
  123   2HG   PRO  14           HG2      PRO  14  -9.551   7.245  -7.228
  124   1HD   PRO  14           HD1      PRO  14 -10.692   6.752  -9.155
  125   2HD   PRO  14           HD2      PRO  14  -9.781   5.241  -9.347
  126    H    SER  15           HN       SER  15 -11.750   7.228  -6.194
  127    HA   SER  15           HA       SER  15 -13.278   7.543  -4.004
  128   1HB   SER  15           HB1      SER  15 -12.709   9.276  -5.916
  129   2HB   SER  15           HB2      SER  15 -14.197   9.554  -4.992
  130    HG   SER  15           HG1      SER  15 -15.367   8.887  -6.638
  131    H    MET  16           HN       MET  16 -14.644   6.466  -7.094
  132    HA   MET  16           HA       MET  16 -17.334   6.273  -6.083
  133   1HB   MET  16           HB1      MET  16 -17.492   4.639  -8.149
  134   2HB   MET  16           HB2      MET  16 -15.837   5.154  -8.471
  135   1HG   MET  16           HG1      MET  16 -16.586   7.512  -8.416
  136   2HG   MET  16           HG2      MET  16 -18.224   6.980  -8.151
  137   1HE   MET  16           HE1      MET  16 -19.336   5.370  -9.504
  138   2HE   MET  16           HE2      MET  16 -19.392   5.399 -11.267
  139   3HE   MET  16           HE3      MET  16 -19.977   6.783 -10.343
  140    H    LEU  17           HN       LEU  17 -14.846   3.782  -6.725
  141    HA   LEU  17           HA       LEU  17 -16.385   1.660  -5.550
  142   1HB   LEU  17           HB1      LEU  17 -13.340   1.779  -5.639
  143   2HB   LEU  17           HB2      LEU  17 -14.266   1.569  -7.105
  144    HG   LEU  17           HG       LEU  17 -13.448  -0.604  -6.109
  145   1HD1  LEU  17          HD11      LEU  17 -13.811   0.212  -3.719
  146   2HD1  LEU  17          HD12      LEU  17 -14.299  -1.439  -4.065
  147   3HD1  LEU  17          HD13      LEU  17 -15.511  -0.176  -3.950
  148   1HD2  LEU  17          HD21      LEU  17 -16.469  -0.595  -5.982
  149   2HD2  LEU  17          HD22      LEU  17 -15.393  -1.839  -6.598
  150   3HD2  LEU  17          HD23      LEU  17 -15.627  -0.353  -7.500
  151    H    LYS  18           HN       LYS  18 -13.555   3.453  -4.355
  152    HA   LYS  18           HA       LYS  18 -13.173   2.564  -1.838
  153   1HB   LYS  18           HB1      LYS  18 -13.043   5.138  -1.178
  154   2HB   LYS  18           HB2      LYS  18 -13.376   5.406  -2.883
  155   1HG   LYS  18           HG1      LYS  18 -11.403   4.166  -3.536
  156   2HG   LYS  18           HG2      LYS  18 -11.126   3.635  -1.882
  157   1HD   LYS  18           HD1      LYS  18 -11.352   6.542  -2.060
  158   2HD   LYS  18           HD2      LYS  18 -10.053   5.927  -3.073
  159   1HE   LYS  18           HE1      LYS  18  -9.173   4.640  -1.123
  160   2HE   LYS  18           HE2      LYS  18 -10.440   5.337  -0.119
  161   1HZ   LYS  18           HZ1      LYS  18  -9.493   7.559  -0.960
  162   2HZ   LYS  18           HZ2      LYS  18  -8.111   6.650  -1.341
  163   3HZ   LYS  18           HZ3      LYS  18  -8.666   6.719   0.262
  164    H    LYS  19           HN       LYS  19 -15.758   4.899  -2.613
  165    HA   LYS  19           HA       LYS  19 -16.856   4.818   0.023
  166   1HB   LYS  19           HB1      LYS  19 -18.985   5.537  -1.562
  167   2HB   LYS  19           HB2      LYS  19 -17.646   5.882  -2.652
  168   1HG   LYS  19           HG1      LYS  19 -16.570   7.253  -0.884
  169   2HG   LYS  19           HG2      LYS  19 -17.922   6.917   0.192
  170   1HD   LYS  19           HD1      LYS  19 -19.206   7.811  -2.079
  171   2HD   LYS  19           HD2      LYS  19 -17.750   8.800  -2.068
  172   1HE   LYS  19           HE1      LYS  19 -18.252   9.248   0.409
  173   2HE   LYS  19           HE2      LYS  19 -19.834   8.538   0.115
  174   1HZ   LYS  19           HZ1      LYS  19 -18.681  10.901  -1.256
  175   2HZ   LYS  19           HZ2      LYS  19 -19.948  10.903  -0.123
  176   3HZ   LYS  19           HZ3      LYS  19 -20.171  10.187  -1.647
  177    H    HIS  20           HN       HIS  20 -17.518   3.020  -2.937
  178    HA   HIS  20           HA       HIS  20 -19.878   1.707  -2.029
  179   1HB   HIS  20           HB1      HIS  20 -17.716   0.705  -3.936
  180   2HB   HIS  20           HB2      HIS  20 -19.141   1.625  -4.413
  181    HD1  HIS  20           HD1      HIS  20 -21.081   0.135  -4.922
  182    HD2  HIS  20           HD2      HIS  20 -18.346  -1.825  -2.636
  183    HE1  HIS  20           HE1      HIS  20 -21.943  -2.144  -4.682
  184    H    ILE  21           HN       ILE  21 -16.487   0.571  -2.024
  185    HA   ILE  21           HA       ILE  21 -17.017  -1.870  -0.717
  186    HB   ILE  21           HB       ILE  21 -14.739  -0.749  -1.683
  187   1HG1  ILE  21          HG11      ILE  21 -14.924  -2.809   0.549
  188   2HG1  ILE  21          HG12      ILE  21 -13.471  -2.519  -0.398
  189   1HG2  ILE  21          HG21      ILE  21 -14.751   0.814   0.410
  190   2HG2  ILE  21          HG22      ILE  21 -13.250  -0.014   0.067
  191   3HG2  ILE  21          HG23      ILE  21 -14.311  -0.606   1.339
  192   1HD1  ILE  21           HD1      ILE  21 -14.270  -3.961  -1.946
  193   2HD1  ILE  21           HD2      ILE  21 -15.564  -2.819  -2.286
  194   3HD1  ILE  21           HD3      ILE  21 -15.805  -4.090  -1.094
  195    NH1  ARG  22           NH1      ARG  22 -13.051   3.410   4.806
  196    NH2  ARG  22           NH2      ARG  22 -11.682   3.636   2.989
  197    H    ARG  22           HN       ARG  22 -16.811   1.386   0.539
  198    HA   ARG  22           HA       ARG  22 -16.701   0.536   3.331
  199   1HB   ARG  22           HB1      ARG  22 -17.519   3.035   3.614
  200   2HB   ARG  22           HB2      ARG  22 -17.242   3.153   1.882
  201   1HG   ARG  22           HG1      ARG  22 -14.911   2.468   2.166
  202   2HG   ARG  22           HG2      ARG  22 -15.167   2.217   3.888
  203   1HD   ARG  22           HD1      ARG  22 -15.371   4.520   4.324
  204   2HD   ARG  22           HD2      ARG  22 -15.787   4.896   2.653
  205    HE   ARG  22           HE       ARG  22 -13.485   5.243   2.345
  206   1HH1  ARG  22          HH11      ARG  22 -13.929   3.601   5.246
  207   2HH1  ARG  22          HH12      ARG  22 -12.355   2.878   5.288
  208   1HH2  ARG  22          HH21      ARG  22 -11.536   3.995   2.067
  209   2HH2  ARG  22          HH22      ARG  22 -10.964   3.107   3.441
  210    H    THR  23           HN       THR  23 -19.200   0.870   0.975
  211    HA   THR  23           HA       THR  23 -21.325   1.286   2.896
  212    HB   THR  23           HB       THR  23 -21.624  -0.031   0.128
  213    HG1  THR  23           HG1      THR  23 -20.441   1.764  -0.221
  214   1HG2  THR  23          HG21      THR  23 -23.858   0.236   0.913
  215   2HG2  THR  23          HG22      THR  23 -23.590   1.884   0.367
  216   3HG2  THR  23          HG23      THR  23 -23.414   1.484   2.068
  217    H    HIS  24           HN       HIS  24 -19.284  -1.203   2.705
  218    HA   HIS  24           HA       HIS  24 -21.375  -3.282   3.252
  219   1HB   HIS  24           HB1      HIS  24 -19.218  -4.796   3.148
  220   2HB   HIS  24           HB2      HIS  24 -18.449  -3.387   2.424
  221    HD1  HIS  24           HD1      HIS  24 -21.600  -5.351   1.782
  222    HD2  HIS  24           HD2      HIS  24 -18.739  -3.310  -0.284
  223    HE1  HIS  24           HE1      HIS  24 -22.161  -5.650  -0.605
  224    H    THR  25           HN       THR  25 -19.755  -1.068   4.933
  225    HA   THR  25           HA       THR  25 -18.885  -2.847   7.136
  226    HB   THR  25           HB       THR  25 -18.337  -0.392   8.105
  227    HG1  THR  25           HG1      THR  25 -19.523  -0.028   5.752
  228   1HG2  THR  25          HG21      THR  25 -16.918  -1.188   5.520
  229   2HG2  THR  25          HG22      THR  25 -16.659  -2.105   7.001
  230   3HG2  THR  25          HG23      THR  25 -16.208  -0.405   6.929
  231    H    ASP  26           HN       ASP  26 -20.190   0.310   7.733
  232    HA   ASP  26           HA       ASP  26 -22.774  -0.707   8.635
  233   1HB   ASP  26           HB1      ASP  26 -22.246   0.289  11.018
  234   2HB   ASP  26           HB2      ASP  26 -20.558   0.096  10.551
  235    H    VAL  27           HN       VAL  27 -21.495   1.321   6.926
  236    HA   VAL  27           HA       VAL  27 -22.504   3.826   8.140
  237    HB   VAL  27           HB       VAL  27 -20.287   3.919   7.113
  238   1HG1  VAL  27          HG11      VAL  27 -21.667   2.699   4.717
  239   2HG1  VAL  27          HG12      VAL  27 -20.385   1.986   5.687
  240   3HG1  VAL  27          HG13      VAL  27 -20.043   3.373   4.659
  241   1HG2  VAL  27          HG21      VAL  27 -20.652   5.913   6.078
  242   2HG2  VAL  27          HG22      VAL  27 -22.358   5.617   6.398
  243   3HG2  VAL  27          HG23      VAL  27 -21.664   5.175   4.841
  244    NH1  ARG  28           NH1      ARG  28 -25.161  -3.283   3.859
  245    NH2  ARG  28           NH2      ARG  28 -25.741  -2.924   6.040
  246    H    ARG  28           HN       ARG  28 -24.509   2.139   7.651
  247    HA   ARG  28           HA       ARG  28 -25.899   3.346   5.312
  248   1HB   ARG  28           HB1      ARG  28 -27.045   1.005   5.205
  249   2HB   ARG  28           HB2      ARG  28 -25.712   0.465   6.221
  250   1HG   ARG  28           HG1      ARG  28 -24.226   1.678   4.407
  251   2HG   ARG  28           HG2      ARG  28 -25.638   1.460   3.387
  252   1HD   ARG  28           HD1      ARG  28 -23.814  -0.599   4.555
  253   2HD   ARG  28           HD2      ARG  28 -24.599  -0.562   2.978
  254    HE   ARG  28           HE       ARG  28 -26.711  -0.880   4.684
  255   1HH1  ARG  28          HH11      ARG  28 -25.043  -2.922   2.934
  256   2HH1  ARG  28          HH12      ARG  28 -24.968  -4.246   4.048
  257   1HH2  ARG  28          HH21      ARG  28 -26.058  -2.294   6.749
  258   2HH2  ARG  28          HH22      ARG  28 -25.558  -3.881   6.267
  259    HA   PRO  29           HA       PRO  29 -28.256   4.024   9.268
  260   1HB   PRO  29           HB1      PRO  29 -28.482   6.303   9.322
  261   2HB   PRO  29           HB2      PRO  29 -29.495   6.286   7.878
  262   1HG   PRO  29           HG1      PRO  29 -26.647   6.957   8.104
  263   2HG   PRO  29           HG2      PRO  29 -27.719   7.173   6.719
  264   1HD   PRO  29           HD1      PRO  29 -26.897   5.308   5.710
  265   2HD   PRO  29           HD2      PRO  29 -25.663   5.218   6.981
  266    OH   TYR  30           OH       TYR  30 -31.500   8.905   3.812
  267    H    TYR  30           HN       TYR  30 -29.291   3.651   5.957
  268    HA   TYR  30           HA       TYR  30 -32.123   3.439   6.756
  269   1HB   TYR  30           HB1      TYR  30 -32.475   2.876   4.334
  270   2HB   TYR  30           HB2      TYR  30 -30.740   2.821   4.096
  271    HD1  TYR  30           HD1      TYR  30 -33.422   5.105   5.345
  272    HD2  TYR  30           HD2      TYR  30 -29.614   4.806   3.469
  273    HE1  TYR  30           HE1      TYR  30 -33.413   7.527   4.968
  274    HE2  TYR  30           HE2      TYR  30 -29.603   7.230   3.111
  275    HH   TYR  30           HH       TYR  30 -31.335   9.331   4.657
  276    H    HIS  31           HN       HIS  31 -31.849   1.714   8.307
  277    HA   HIS  31           HA       HIS  31 -31.104  -0.937   7.208
  278   1HB   HIS  31           HB1      HIS  31 -31.134  -1.681   9.527
  279   2HB   HIS  31           HB2      HIS  31 -32.049  -0.264  10.030
  280    HD1  HIS  31           HD1      HIS  31 -28.655  -1.249   9.092
  281    HD2  HIS  31           HD2      HIS  31 -30.560   2.094  10.375
  282    HE1  HIS  31           HE1      HIS  31 -26.877   0.295   9.680
  283    H    CYS  32           HN       CYS  32 -32.518  -2.656   6.980
  284    HA   CYS  32           HA       CYS  32 -35.282  -2.014   6.545
  285   1HB   CYS  32           HB1      CYS  32 -33.718  -4.610   6.787
  286   2HB   CYS  32           HB2      CYS  32 -34.394  -3.896   5.345
  287    H    THR  33           HN       THR  33 -37.036  -2.214   7.859
  288    HA   THR  33           HA       THR  33 -36.639  -2.246  10.697
  289    HB   THR  33           HB       THR  33 -39.304  -2.869   9.317
  290    HG1  THR  33           HG1      THR  33 -37.957  -1.142   8.357
  291   1HG2  THR  33          HG21      THR  33 -38.794  -2.485  11.968
  292   2HG2  THR  33          HG22      THR  33 -40.230  -1.790  11.223
  293   3HG2  THR  33          HG23      THR  33 -38.798  -0.796  11.468
  294    OH   TYR  34           OH       TYR  34 -42.928  -4.631   8.350
  295    H    TYR  34           HN       TYR  34 -36.606  -4.778   8.533
  296    HA   TYR  34           HA       TYR  34 -37.379  -6.732  10.666
  297   1HB   TYR  34           HB1      TYR  34 -38.023  -8.277   8.864
  298   2HB   TYR  34           HB2      TYR  34 -37.397  -7.178   7.642
  299    HD1  TYR  34           HD2      TYR  34 -38.474  -4.794   7.572
  300    HD2  TYR  34           HD1      TYR  34 -40.284  -8.116   9.515
  301    HE1  TYR  34           HE2      TYR  34 -40.651  -3.678   7.451
  302    HE2  TYR  34           HE1      TYR  34 -42.463  -6.996   9.394
  303    HH   TYR  34           HH       TYR  34 -43.160  -4.530   7.423
  304    H    CYS  35           HN       CYS  35 -35.591  -7.015   7.613
  305    HA   CYS  35           HA       CYS  35 -33.738  -8.928   8.607
  306   1HB   CYS  35           HB1      CYS  35 -32.428  -8.428   6.623
  307   2HB   CYS  35           HB2      CYS  35 -33.154  -6.857   6.469
  308    H    ASN  36           HN       ASN  36 -31.265  -8.158   8.054
  309    HA   ASN  36           HA       ASN  36 -30.695  -6.028  10.076
  310   1HB   ASN  36           HB1      ASN  36 -28.962  -8.424   9.278
  311   2HB   ASN  36           HB2      ASN  36 -30.004  -8.402  10.699
  312   1HD2  ASN  36          HD21      ASN  36 -27.428  -8.773  11.358
  313   2HD2  ASN  36          HD22      ASN  36 -26.696  -7.354  11.932
  314    H    PHE  37           HN       PHE  37 -30.789  -6.613   6.893
  315    HA   PHE  37           HA       PHE  37 -28.193  -5.510   6.119
  316   1HB   PHE  37           HB1      PHE  37 -30.573  -5.614   4.259
  317   2HB   PHE  37           HB2      PHE  37 -29.875  -7.140   4.805
  318    HD1  PHE  37           HD2      PHE  37 -27.331  -7.460   4.496
  319    HD2  PHE  37           HD1      PHE  37 -29.524  -4.375   2.546
  320    HE1  PHE  37           HE2      PHE  37 -25.518  -7.203   2.858
  321    HE2  PHE  37           HE1      PHE  37 -27.709  -4.123   0.908
  322    HZ   PHE  37           HZ       PHE  37 -25.707  -5.536   1.065
  323    H    SER  38           HN       SER  38 -28.024  -3.540   4.852
  324    HA   SER  38           HA       SER  38 -30.227  -1.622   5.185
  325   1HB   SER  38           HB1      SER  38 -27.441  -1.057   6.316
  326   2HB   SER  38           HB2      SER  38 -28.837  -1.498   7.311
  327    HG   SER  38           HG1      SER  38 -29.482   0.482   7.110
  328    H    PHE  39           HN       PHE  39 -29.573   0.539   4.255
  329    HA   PHE  39           HA       PHE  39 -27.644   0.194   2.012
  330   1HB   PHE  39           HB1      PHE  39 -29.298   0.977   0.451
  331   2HB   PHE  39           HB2      PHE  39 -30.347   1.553   1.745
  332    HD1  PHE  39           HD2      PHE  39 -31.391  -0.151   3.302
  333    HD2  PHE  39           HD1      PHE  39 -29.450  -1.303  -0.300
  334    HE1  PHE  39           HE2      PHE  39 -32.489  -2.339   3.419
  335    HE2  PHE  39           HE1      PHE  39 -30.541  -3.502  -0.177
  336    HZ   PHE  39           HZ       PHE  39 -32.058  -4.023   1.690
  337    H    LYS  40           HN       LYS  40 -26.829   2.176   1.174
  338    HA   LYS  40           HA       LYS  40 -26.561   4.207   3.253
  339   1HB   LYS  40           HB1      LYS  40 -25.517   4.154   0.379
  340   2HB   LYS  40           HB2      LYS  40 -24.667   3.456   1.739
  341   1HG   LYS  40           HG1      LYS  40 -25.474   6.372   1.770
  342   2HG   LYS  40           HG2      LYS  40 -24.000   5.861   0.975
  343   1HD   LYS  40           HD1      LYS  40 -23.310   4.735   3.124
  344   2HD   LYS  40           HD2      LYS  40 -24.720   5.454   3.894
  345   1HE   LYS  40           HE1      LYS  40 -22.181   6.714   3.078
  346   2HE   LYS  40           HE2      LYS  40 -23.318   7.194   4.332
  347   1HZ   LYS  40           HZ1      LYS  40 -23.492   7.733   1.427
  348   2HZ   LYS  40           HZ2      LYS  40 -23.366   8.858   2.693
  349   3HZ   LYS  40           HZ3      LYS  40 -24.797   7.968   2.488
  350    H    THR  41           HN       THR  41 -28.486   3.694   0.463
  351    HA   THR  41           HA       THR  41 -29.434   6.532   0.594
  352    HB   THR  41           HB       THR  41 -29.881   6.399  -1.775
  353    HG1  THR  41           HG1      THR  41 -29.383   3.678  -1.904
  354   1HG2  THR  41          HG21      THR  41 -27.645   4.322  -1.515
  355   2HG2  THR  41          HG22      THR  41 -27.330   6.014  -1.146
  356   3HG2  THR  41          HG23      THR  41 -27.824   5.545  -2.768
  357    H    LYS  42           HN       LYS  42 -31.666   6.912   0.285
  358    HA   LYS  42           HA       LYS  42 -33.312   4.967   1.657
  359   1HB   LYS  42           HB1      LYS  42 -34.152   7.554   0.269
  360   2HB   LYS  42           HB2      LYS  42 -33.516   7.499   1.910
  361   1HG   LYS  42           HG1      LYS  42 -35.359   5.938   2.540
  362   2HG   LYS  42           HG2      LYS  42 -36.015   6.088   0.915
  363   1HD   LYS  42           HD1      LYS  42 -35.526   8.724   1.956
  364   2HD   LYS  42           HD2      LYS  42 -36.461   7.816   3.139
  365   1HE   LYS  42           HE1      LYS  42 -37.150   8.160   0.198
  366   2HE   LYS  42           HE2      LYS  42 -37.976   8.923   1.551
  367   1HZ   LYS  42           HZ1      LYS  42 -38.884   6.931   2.236
  368   2HZ   LYS  42           HZ2      LYS  42 -37.747   5.990   1.398
  369   3HZ   LYS  42           HZ3      LYS  42 -38.964   6.808   0.543
  370    H    GLY  43           HN       GLY  43 -32.569   5.733  -1.594
  371   1HA   GLY  43           HA1      GLY  43 -33.392   4.874  -3.620
  372   2HA   GLY  43           HA2      GLY  43 -34.990   4.922  -2.881
  373    H    ASN  44           HN       ASN  44 -31.992   3.053  -2.434
  374    HA   ASN  44           HA       ASN  44 -32.913   0.585  -3.319
  375   1HB   ASN  44           HB1      ASN  44 -31.262  -0.311  -1.473
  376   2HB   ASN  44           HB2      ASN  44 -30.954   1.390  -1.146
  377   1HD2  ASN  44          HD21      ASN  44 -28.735   0.237  -2.023
  378   2HD2  ASN  44          HD22      ASN  44 -28.446   0.507  -3.674
  379    H    LEU  45           HN       LEU  45 -33.352   2.066  -0.143
  380    HA   LEU  45           HA       LEU  45 -34.449  -0.119   1.242
  381   1HB   LEU  45           HB1      LEU  45 -35.578   2.699   1.432
  382   2HB   LEU  45           HB2      LEU  45 -33.942   2.374   1.969
  383    HG   LEU  45           HG       LEU  45 -35.660   2.275   3.818
  384   1HD1  LEU  45          HD11      LEU  45 -36.602  -0.308   2.545
  385   2HD1  LEU  45          HD12      LEU  45 -37.440   1.222   2.316
  386   3HD1  LEU  45          HD13      LEU  45 -37.286   0.533   3.926
  387   1HD2  LEU  45          HD21      LEU  45 -34.542  -0.504   3.514
  388   2HD2  LEU  45          HD22      LEU  45 -34.592   0.529   4.932
  389   3HD2  LEU  45          HD23      LEU  45 -33.445   0.858   3.647
  390    H    THR  46           HN       THR  46 -36.250   2.425  -0.485
  391    HA   THR  46           HA       THR  46 -38.805   1.309  -0.313
  392    HB   THR  46           HB       THR  46 -37.623   2.695  -2.796
  393    HG1  THR  46           HG1      THR  46 -37.635   3.456  -0.328
  394   1HG2  THR  46          HG21      THR  46 -40.416   2.519  -1.526
  395   2HG2  THR  46          HG22      THR  46 -39.976   1.974  -3.142
  396   3HG2  THR  46          HG23      THR  46 -40.002   3.696  -2.769
  397    H    LYS  47           HN       LYS  47 -36.137   0.422  -2.396
  398    HA   LYS  47           HA       LYS  47 -37.725  -1.308  -4.103
  399   1HB   LYS  47           HB1      LYS  47 -35.055  -2.225  -4.153
  400   2HB   LYS  47           HB2      LYS  47 -34.918  -0.507  -3.803
  401   1HG   LYS  47           HG1      LYS  47 -36.540  -0.106  -5.733
  402   2HG   LYS  47           HG2      LYS  47 -36.322  -1.801  -6.154
  403   1HD   LYS  47           HD1      LYS  47 -33.865  -1.423  -6.309
  404   2HD   LYS  47           HD2      LYS  47 -34.124   0.282  -5.959
  405   1HE   LYS  47           HE1      LYS  47 -35.882  -0.017  -7.990
  406   2HE   LYS  47           HE2      LYS  47 -34.715  -1.254  -8.441
  407   1HZ   LYS  47           HZ1      LYS  47 -34.516   1.454  -8.874
  408   2HZ   LYS  47           HZ2      LYS  47 -33.307   0.287  -9.116
  409   3HZ   LYS  47           HZ3      LYS  47 -33.396   1.121  -7.641
  410    H    HIS  48           HN       HIS  48 -35.480  -1.954  -1.392
  411    HA   HIS  48           HA       HIS  48 -35.859  -4.786  -1.419
  412   1HB   HIS  48           HB1      HIS  48 -35.120  -2.857   0.838
  413   2HB   HIS  48           HB2      HIS  48 -34.020  -3.845  -0.118
  414    HD1  HIS  48           HD1      HIS  48 -34.777  -6.527   0.155
  415    HD2  HIS  48           HD2      HIS  48 -35.704  -4.037   3.263
  416    HE1  HIS  48           HE1      HIS  48 -35.159  -7.997   2.072
  417    H    MET  49           HN       MET  49 -37.955  -2.276  -0.513
  418    HA   MET  49           HA       MET  49 -39.529  -4.023   1.288
  419   1HB   MET  49           HB1      MET  49 -41.023  -1.854   1.274
  420   2HB   MET  49           HB2      MET  49 -39.657  -1.101   0.459
  421   1HG   MET  49           HG1      MET  49 -39.005  -0.680   2.598
  422   2HG   MET  49           HG2      MET  49 -38.312  -2.272   2.433
  423   1HE   MET  49           HE1      MET  49 -39.309  -4.009   5.381
  424   2HE   MET  49           HE2      MET  49 -37.995  -3.036   4.722
  425   3HE   MET  49           HE3      MET  49 -38.793  -4.240   3.710
  426    H    LYS  50           HN       LYS  50 -39.795  -2.410  -1.847
  427    HA   LYS  50           HA       LYS  50 -42.457  -2.948  -2.485
  428   1HB   LYS  50           HB1      LYS  50 -40.083  -3.320  -4.375
  429   2HB   LYS  50           HB2      LYS  50 -40.739  -1.748  -3.936
  430   1HG   LYS  50           HG1      LYS  50 -42.972  -2.492  -4.801
  431   2HG   LYS  50           HG2      LYS  50 -42.226  -3.993  -5.339
  432   1HD   LYS  50           HD1      LYS  50 -40.733  -2.777  -6.831
  433   2HD   LYS  50           HD2      LYS  50 -41.302  -1.233  -6.205
  434   1HE   LYS  50           HE1      LYS  50 -43.634  -1.909  -6.975
  435   2HE   LYS  50           HE2      LYS  50 -42.883  -3.267  -7.805
  436   1HZ   LYS  50           HZ1      LYS  50 -41.665  -1.820  -9.180
  437   2HZ   LYS  50           HZ2      LYS  50 -42.059  -0.459  -8.245
  438   3HZ   LYS  50           HZ3      LYS  50 -43.257  -1.228  -9.172
  439    H    SER  51           HN       SER  51 -39.680  -5.134  -2.765
  440    HA   SER  51           HA       SER  51 -40.928  -7.301  -4.036
  441   1HB   SER  51           HB1      SER  51 -38.969  -7.527  -1.688
  442   2HB   SER  51           HB2      SER  51 -38.469  -7.152  -3.348
  443    HG   SER  51           HG1      SER  51 -38.442  -9.365  -3.152
  444    H    LYS  52           HN       LYS  52 -41.890  -9.226  -3.219
  445    HA   LYS  52           HA       LYS  52 -43.884  -8.729  -1.198
  446   1HB   LYS  52           HB1      LYS  52 -44.352 -11.206  -1.503
  447   2HB   LYS  52           HB2      LYS  52 -42.918 -11.314  -2.516
  448   1HG   LYS  52           HG1      LYS  52 -43.854  -9.876  -4.176
  449   2HG   LYS  52           HG2      LYS  52 -45.134  -9.338  -3.095
  450   1HD   LYS  52           HD1      LYS  52 -45.981 -10.992  -4.739
  451   2HD   LYS  52           HD2      LYS  52 -46.106 -11.605  -3.094
  452   1HE   LYS  52           HE1      LYS  52 -43.603 -12.170  -4.650
  453   2HE   LYS  52           HE2      LYS  52 -45.049 -13.104  -5.015
  454   1HZ   LYS  52           HZ1      LYS  52 -45.179 -13.835  -2.774
  455   2HZ   LYS  52           HZ2      LYS  52 -43.929 -12.794  -2.289
  456   3HZ   LYS  52           HZ3      LYS  52 -43.592 -14.108  -3.310
  457    H    ALA  53           HN       ALA  53 -40.745  -8.994  -0.700
  458    HA   ALA  53           HA       ALA  53 -40.165 -11.022   1.091
  459   1HB   ALA  53           HB1      ALA  53 -38.711  -9.283   2.273
  460   2HB   ALA  53           HB2      ALA  53 -39.477  -8.049   1.278
  461   3HB   ALA  53           HB3      ALA  53 -38.503  -9.308   0.524
  462    H    HIS  54           HN       HIS  54 -40.501  -8.016   2.784
  463    HA   HIS  54           HA       HIS  54 -42.878  -8.980   4.242
  464   1HB   HIS  54           HB1      HIS  54 -41.333  -9.964   5.698
  465   2HB   HIS  54           HB2      HIS  54 -41.397  -8.350   6.398
  466    HD1  HIS  54           HD1      HIS  54 -39.112 -10.618   4.758
  467    HD2  HIS  54           HD2      HIS  54 -39.163  -6.614   5.588
  468    HE1  HIS  54           HE1      HIS  54 -36.793  -9.867   4.510
  469    H    SER  55           HN       SER  55 -43.862  -7.121   3.370
  470    HA   SER  55           HA       SER  55 -43.396  -4.727   5.008
  471   1HB   SER  55           HB1      SER  55 -41.867  -4.182   3.198
  472   2HB   SER  55           HB2      SER  55 -43.363  -3.329   2.769
  473    HG   SER  55           HG1      SER  55 -42.343  -5.768   1.795
  474    H    LYS  56           HN       LYS  56 -45.137  -6.183   2.303
  475    HA   LYS  56           HA       LYS  56 -47.550  -4.593   3.069
  476   1HB   LYS  56           HB1      LYS  56 -48.384  -5.264   0.797
  477   2HB   LYS  56           HB2      LYS  56 -46.908  -6.187   0.538
  478   1HG   LYS  56           HG1      LYS  56 -45.652  -3.986   1.028
  479   2HG   LYS  56           HG2      LYS  56 -47.210  -3.191   0.824
  480   1HD   LYS  56           HD1      LYS  56 -47.425  -4.173  -1.433
  481   2HD   LYS  56           HD2      LYS  56 -45.879  -4.990  -1.230
  482   1HE   LYS  56           HE1      LYS  56 -44.790  -2.760  -0.905
  483   2HE   LYS  56           HE2      LYS  56 -46.337  -1.988  -1.233
  484   1HZ   LYS  56           HZ1      LYS  56 -46.316  -3.231  -3.395
  485   2HZ   LYS  56           HZ2      LYS  56 -44.695  -3.620  -3.073
  486   3HZ   LYS  56           HZ3      LYS  56 -45.160  -1.995  -3.243
  487    H    LYS  57           HN       LYS  57 -46.673  -6.903   4.572
  488    HA   LYS  57           HA       LYS  57 -49.171  -8.291   4.713
  489   1HB   LYS  57           HB1      LYS  57 -46.915 -10.141   3.931
  490   2HB   LYS  57           HB2      LYS  57 -47.765  -9.279   2.654
  491   1HG   LYS  57           HG1      LYS  57 -48.829 -11.462   3.052
  492   2HG   LYS  57           HG2      LYS  57 -49.924 -10.164   3.511
  493   1HD   LYS  57           HD1      LYS  57 -49.577 -10.520   5.817
  494   2HD   LYS  57           HD2      LYS  57 -48.066 -11.383   5.551
  495   1HE   LYS  57           HE1      LYS  57 -49.283 -13.268   4.557
  496   2HE   LYS  57           HE2      LYS  57 -50.803 -12.397   4.712
  497   1HZ   LYS  57           HZ1      LYS  57 -49.651 -12.376   7.218
  498   2HZ   LYS  57           HZ2      LYS  57 -49.440 -13.956   6.634
  499   3HZ   LYS  57                 LYS  57 -50.996 -13.280   6.710
   
  Start of MODEL           3
 Raw file had 499 H/Q atoms
  Start of MODEL    3
    1   1H    LYS   1           HT1      LYS   1  -9.616  -4.256 -12.086
    2   2H    LYS   1           HT2      LYS   1  -9.773  -2.641 -12.586
    3   3H    LYS   1           HT3      LYS   1 -10.969  -3.347 -11.609
    4    HA   LYS   1           HA       LYS   1  -8.771  -3.732 -10.119
    5   1HB   LYS   1           HB1      LYS   1  -7.593  -1.544 -10.102
    6   2HB   LYS   1           HB2      LYS   1  -8.621  -0.957 -11.403
    7   1HG   LYS   1           HG1      LYS   1  -7.700  -2.531 -12.963
    8   2HG   LYS   1           HG2      LYS   1  -6.899  -3.433 -11.681
    9   1HD   LYS   1           HD1      LYS   1  -6.187  -0.567 -11.778
   10   2HD   LYS   1           HD2      LYS   1  -5.685  -1.487 -13.193
   11   1HE   LYS   1           HE1      LYS   1  -4.404  -3.009 -11.883
   12   2HE   LYS   1           HE2      LYS   1  -5.176  -2.497 -10.388
   13   1HZ   LYS   1           HZ1      LYS   1  -4.102  -0.362 -10.577
   14   2HZ   LYS   1           HZ2      LYS   1  -3.398  -0.807 -12.058
   15   3HZ   LYS   1           HZ3      LYS   1  -2.940  -1.599 -10.628
   16    OH   TYR   2           OH       TYR   2  -7.767   2.537  -8.752
   17    H    TYR   2           HN       TYR   2 -11.746  -2.860 -10.669
   18    HA   TYR   2           HA       TYR   2 -12.104  -1.817  -7.946
   19   1HB   TYR   2           HB1      TYR   2 -13.423   0.161  -8.751
   20   2HB   TYR   2           HB2      TYR   2 -12.983  -0.237 -10.411
   21    HD1  TYR   2           HD2      TYR   2 -11.556   0.692  -7.099
   22    HD2  TYR   2           HD1      TYR   2 -10.863   0.416 -11.286
   23    HE1  TYR   2           HE2      TYR   2  -9.445   1.909  -6.829
   24    HE2  TYR   2           HE1      TYR   2  -8.750   1.631 -11.016
   25    HH   TYR   2           HH       TYR   2  -7.971   3.417  -8.431
   26    H    ILE   3           HN       ILE   3 -12.865  -4.232  -9.006
   27    HA   ILE   3           HA       ILE   3 -15.803  -3.953  -9.451
   28    HB   ILE   3           HB       ILE   3 -13.868  -6.276  -9.933
   29   1HG1  ILE   3          HG11      ILE   3 -15.440  -4.452 -11.800
   30   2HG1  ILE   3          HG12      ILE   3 -14.606  -5.905 -12.330
   31   1HG2  ILE   3          HG21      ILE   3 -16.902  -6.014 -10.192
   32   2HG2  ILE   3          HG22      ILE   3 -16.003  -7.237  -9.299
   33   3HG2  ILE   3          HG23      ILE   3 -16.003  -7.256 -11.058
   34   1HD1  ILE   3           HD1      ILE   3 -13.484  -3.274 -11.527
   35   2HD1  ILE   3           HD2      ILE   3 -12.875  -4.444 -12.687
   36   3HD1  ILE   3           HD3      ILE   3 -12.586  -4.679 -10.970
   37    H    CYS   4           HN       CYS   4 -16.830  -3.993  -7.493
   38    HA   CYS   4           HA       CYS   4 -15.810  -5.123  -5.136
   39   1HB   CYS   4           HB1      CYS   4 -18.671  -4.801  -6.071
   40   2HB   CYS   4           HB2      CYS   4 -17.787  -3.739  -5.012
   41    H    GLU   5           HN       GLU   5 -15.185  -7.103  -4.789
   42    HA   GLU   5           HA       GLU   5 -15.798  -9.341  -6.383
   43   1HB   GLU   5           HB1      GLU   5 -14.998 -10.629  -4.263
   44   2HB   GLU   5           HB2      GLU   5 -14.797  -9.042  -3.528
   45   1HG   GLU   5           HG1      GLU   5 -13.276  -8.371  -5.350
   46   2HG   GLU   5           HG2      GLU   5 -13.503  -9.936  -6.129
   47    H    GLU   6           HN       GLU   6 -17.649  -7.878  -3.866
   48    HA   GLU   6           HA       GLU   6 -19.223 -10.291  -3.401
   49   1HB   GLU   6           HB1      GLU   6 -19.964  -7.508  -2.461
   50   2HB   GLU   6           HB2      GLU   6 -18.647  -8.381  -1.690
   51   1HG   GLU   6           HG1      GLU   6 -20.193 -10.286  -1.255
   52   2HG   GLU   6           HG2      GLU   6 -21.509  -9.361  -1.972
   53    H    CYS   7           HN       CYS   7 -20.211  -6.980  -4.270
   54    HA   CYS   7           HA       CYS   7 -22.616  -8.015  -5.558
   55   1HB   CYS   7           HB1      CYS   7 -23.190  -5.732  -5.911
   56   2HB   CYS   7           HB2      CYS   7 -21.530  -5.218  -5.893
   57    H    GLY   8           HN       GLY   8 -19.736  -6.254  -6.667
   58   1HA   GLY   8           HA1      GLY   8 -20.179  -7.427  -9.385
   59   2HA   GLY   8           HA2      GLY   8 -18.593  -7.045  -8.725
   60    H    ILE   9           HN       ILE   9 -20.166  -4.561  -7.583
   61    HA   ILE   9           HA       ILE   9 -20.979  -2.915  -9.690
   62    HB   ILE   9           HB       ILE   9 -20.998  -2.456  -7.134
   63   1HG1  ILE   9          HG11      ILE   9 -20.442  -0.496  -9.323
   64   2HG1  ILE   9          HG12      ILE   9 -20.435   0.100  -7.667
   65   1HG2  ILE   9          HG21      ILE   9 -18.386  -2.750  -7.101
   66   2HG2  ILE   9          HG22      ILE   9 -19.054  -1.424  -6.174
   67   3HG2  ILE   9          HG23      ILE   9 -18.329  -1.115  -7.741
   68   1HD1  ILE   9           HD1      ILE   9 -22.685  -1.649  -8.662
   69   2HD1  ILE   9           HD2      ILE   9 -22.702   0.088  -8.952
   70   3HD1  ILE   9           HD3      ILE   9 -22.685  -0.529  -7.303
   71    NH1  ARG  10           NH2      ARG  10 -16.625  -2.977 -17.558
   72    NH2  ARG  10           NH1      ARG  10 -14.817  -1.589 -17.412
   73    H    ARG  10           HN       ARG  10 -19.967  -2.027 -11.369
   74    HA   ARG  10           HA       ARG  10 -17.000  -2.222 -11.467
   75   1HB   ARG  10           HB1      ARG  10 -18.995  -1.561 -13.684
   76   2HB   ARG  10           HB2      ARG  10 -18.435  -3.190 -13.322
   77   1HG   ARG  10           HG1      ARG  10 -16.129  -1.512 -13.519
   78   2HG   ARG  10           HG2      ARG  10 -17.144  -1.183 -14.919
   79   1HD   ARG  10           HD1      ARG  10 -17.300  -3.659 -15.323
   80   2HD   ARG  10           HD2      ARG  10 -16.154  -3.906 -14.005
   81    HE   ARG  10           HE       ARG  10 -14.424  -3.117 -15.424
   82   1HH1  ARG  10          HH21      ARG  10 -17.204  -3.676 -17.138
   83   2HH1  ARG  10          HH22      ARG  10 -16.833  -2.642 -18.476
   84   1HH2  ARG  10          HH11      ARG  10 -14.039  -1.249 -16.883
   85   2HH2  ARG  10          HH12      ARG  10 -14.993  -1.232 -18.329
   86    H    ABA  11           HN       ABU  11 -16.140  -0.437 -10.541
   87    HA   ABA  11           HA       ABU  11 -16.994   2.205 -11.682
   88   1HB   ABA  11           HB1      ABU  11 -16.614   3.215  -9.496
   89   2HB   ABA  11           HB2      ABU  11 -15.962   1.725  -8.858
   90   1HG   ABA  11           HG1      ABU  11 -18.214   0.648  -9.271
   91   2HG   ABA  11           HG2      ABU  11 -18.830   2.240  -9.697
   92   3HG   ABA  11           HG3      ABU  11 -18.247   1.929  -8.066
   93    H    LYS  12           HN       LYS  12 -15.347   2.290 -13.157
   94    HA   LYS  12           HA       LYS  12 -12.675   1.577 -12.850
   95   1HB   LYS  12           HB1      LYS  12 -12.233   3.316 -14.616
   96   2HB   LYS  12           HB2      LYS  12 -13.851   3.958 -14.353
   97   1HG   LYS  12           HG1      LYS  12 -14.844   1.813 -15.004
   98   2HG   LYS  12           HG2      LYS  12 -13.245   1.098 -15.174
   99   1HD   LYS  12           HD1      LYS  12 -12.714   2.781 -16.939
  100   2HD   LYS  12           HD2      LYS  12 -14.352   3.410 -16.802
  101   1HE   LYS  12           HE1      LYS  12 -14.406   1.866 -18.630
  102   2HE   LYS  12           HE2      LYS  12 -15.161   1.029 -17.280
  103   1HZ   LYS  12           HZ1      LYS  12 -13.528  -0.323 -18.506
  104   2HZ   LYS  12           HZ2      LYS  12 -13.153  -0.152 -16.859
  105   3HZ   LYS  12           HZ3      LYS  12 -12.305   0.750 -18.020
  106    H    LYS  13           HN       LYS  13 -14.305   4.209 -11.309
  107    HA   LYS  13           HA       LYS  13 -11.710   5.495 -10.678
  108   1HB   LYS  13           HB1      LYS  13 -13.235   7.295  -9.677
  109   2HB   LYS  13           HB2      LYS  13 -14.597   6.361 -10.288
  110   1HG   LYS  13           HG1      LYS  13 -14.306   7.600 -12.183
  111   2HG   LYS  13           HG2      LYS  13 -12.994   6.472 -12.508
  112   1HD   LYS  13           HD1      LYS  13 -11.499   8.049 -11.140
  113   2HD   LYS  13           HD2      LYS  13 -12.813   9.216 -11.241
  114   1HE   LYS  13           HE1      LYS  13 -11.406   7.915 -13.597
  115   2HE   LYS  13           HE2      LYS  13 -11.203   9.581 -13.070
  116   1HZ   LYS  13           HZ1      LYS  13 -13.016  10.182 -14.154
  117   2HZ   LYS  13           HZ2      LYS  13 -13.946   8.948 -13.449
  118   3HZ   LYS  13           HZ3      LYS  13 -13.051   8.637 -14.859
  119    HA   PRO  14           HA       PRO  14 -11.648   3.689  -6.591
  120   1HB   PRO  14           HB1      PRO  14  -9.578   4.488  -5.950
  121   2HB   PRO  14           HB2      PRO  14 -10.383   5.918  -5.302
  122   1HG   PRO  14           HG1      PRO  14  -8.620   5.857  -7.525
  123   2HG   PRO  14           HG2      PRO  14  -9.640   7.215  -7.044
  124   1HD   PRO  14           HD1      PRO  14 -10.828   6.901  -8.978
  125   2HD   PRO  14           HD2      PRO  14  -9.953   5.392  -9.305
  126    H    SER  15           HN       SER  15 -11.955   7.225  -6.215
  127    HA   SER  15           HA       SER  15 -13.407   7.517  -3.952
  128   1HB   SER  15           HB1      SER  15 -12.902   9.337  -5.703
  129   2HB   SER  15           HB2      SER  15 -14.521   9.472  -4.988
  130    HG   SER  15           HG1      SER  15 -14.684   9.486  -7.244
  131    H    MET  16           HN       MET  16 -14.830   6.444  -7.015
  132    HA   MET  16           HA       MET  16 -17.494   6.210  -5.918
  133   1HB   MET  16           HB1      MET  16 -17.714   4.650  -8.033
  134   2HB   MET  16           HB2      MET  16 -16.077   5.184  -8.399
  135   1HG   MET  16           HG1      MET  16 -17.164   6.865  -9.463
  136   2HG   MET  16           HG2      MET  16 -17.158   7.565  -7.866
  137   1HE   MET  16           HE1      MET  16 -18.874   5.566 -10.446
  138   2HE   MET  16           HE2      MET  16 -19.347   7.198 -10.914
  139   3HE   MET  16           HE3      MET  16 -20.571   6.042 -10.391
  140    H    LEU  17           HN       LEU  17 -15.004   3.755  -6.736
  141    HA   LEU  17           HA       LEU  17 -16.494   1.582  -5.612
  142   1HB   LEU  17           HB1      LEU  17 -13.458   1.714  -5.688
  143   2HB   LEU  17           HB2      LEU  17 -14.366   1.580  -7.176
  144    HG   LEU  17           HG       LEU  17 -13.588  -0.645  -6.278
  145   1HD1  LEU  17          HD11      LEU  17 -15.657  -0.285  -4.102
  146   2HD1  LEU  17          HD12      LEU  17 -13.951   0.060  -3.849
  147   3HD1  LEU  17          HD13      LEU  17 -14.468  -1.565  -4.274
  148   1HD2  LEU  17          HD21      LEU  17 -15.520  -1.804  -6.903
  149   2HD2  LEU  17          HD22      LEU  17 -15.793  -0.236  -7.639
  150   3HD2  LEU  17          HD23      LEU  17 -16.602  -0.651  -6.139
  151    H    LYS  18           HN       LYS  18 -13.635   3.287  -4.386
  152    HA   LYS  18           HA       LYS  18 -13.302   2.305  -1.888
  153   1HB   LYS  18           HB1      LYS  18 -12.814   4.696  -1.135
  154   2HB   LYS  18           HB2      LYS  18 -13.480   5.252  -2.666
  155   1HG   LYS  18           HG1      LYS  18 -11.278   5.074  -3.313
  156   2HG   LYS  18           HG2      LYS  18 -11.758   3.408  -3.610
  157   1HD   LYS  18           HD1      LYS  18 -11.003   2.807  -1.313
  158   2HD   LYS  18           HD2      LYS  18 -10.474   4.467  -1.069
  159   1HE   LYS  18           HE1      LYS  18  -8.776   4.289  -2.718
  160   2HE   LYS  18           HE2      LYS  18  -9.489   2.841  -3.417
  161   1HZ   LYS  18           HZ1      LYS  18  -7.836   3.137  -1.032
  162   2HZ   LYS  18           HZ2      LYS  18  -7.851   1.904  -2.201
  163   3HZ   LYS  18           HZ3      LYS  18  -9.048   1.947  -0.997
  164    H    LYS  19           HN       LYS  19 -15.798   4.704  -2.699
  165    HA   LYS  19           HA       LYS  19 -16.921   4.733  -0.073
  166   1HB   LYS  19           HB1      LYS  19 -18.906   5.772  -1.280
  167   2HB   LYS  19           HB2      LYS  19 -18.101   5.421  -2.804
  168   1HG   LYS  19           HG1      LYS  19 -17.247   7.531  -2.509
  169   2HG   LYS  19           HG2      LYS  19 -16.082   6.680  -1.500
  170   1HD   LYS  19           HD1      LYS  19 -17.554   7.078   0.475
  171   2HD   LYS  19           HD2      LYS  19 -18.647   7.998  -0.553
  172   1HE   LYS  19           HE1      LYS  19 -17.360   9.834  -0.313
  173   2HE   LYS  19           HE2      LYS  19 -15.975   8.966  -0.967
  174   1HZ   LYS  19           HZ1      LYS  19 -15.708   9.878   1.330
  175   2HZ   LYS  19           HZ2      LYS  19 -15.365   8.224   1.161
  176   3HZ   LYS  19           HZ3      LYS  19 -16.835   8.721   1.854
  177    H    HIS  20           HN       HIS  20 -17.696   2.959  -3.025
  178    HA   HIS  20           HA       HIS  20 -20.053   1.679  -2.100
  179   1HB   HIS  20           HB1      HIS  20 -17.917   0.705  -4.041
  180   2HB   HIS  20           HB2      HIS  20 -19.369   1.600  -4.478
  181    HD1  HIS  20           HD1      HIS  20 -21.294   0.076  -4.974
  182    HD2  HIS  20           HD2      HIS  20 -18.456  -1.869  -2.803
  183    HE1  HIS  20           HE1      HIS  20 -22.090  -2.234  -4.781
  184    H    ILE  21           HN       ILE  21 -16.668   0.544  -2.028
  185    HA   ILE  21           HA       ILE  21 -17.233  -1.946  -0.818
  186    HB   ILE  21           HB       ILE  21 -14.942  -0.829  -1.740
  187   1HG1  ILE  21          HG11      ILE  21 -15.123  -2.930   0.454
  188   2HG1  ILE  21          HG12      ILE  21 -13.691  -2.644  -0.524
  189   1HG2  ILE  21          HG21      ILE  21 -14.947   0.677   0.397
  190   2HG2  ILE  21          HG22      ILE  21 -13.452  -0.145   0.028
  191   3HG2  ILE  21          HG23      ILE  21 -14.514  -0.769   1.283
  192   1HD1  ILE  21           HD1      ILE  21 -16.195  -4.038  -1.228
  193   2HD1  ILE  21           HD2      ILE  21 -14.591  -4.200  -1.931
  194   3HD1  ILE  21           HD3      ILE  21 -15.654  -2.901  -2.455
  195    NH1  ARG  22           NH2      ARG  22 -16.957   5.413   5.777
  196    NH2  ARG  22           NH1      ARG  22 -14.740   5.845   6.125
  197    H    ARG  22           HN       ARG  22 -16.966   1.258   0.581
  198    HA   ARG  22           HA       ARG  22 -16.874   0.279   3.337
  199   1HB   ARG  22           HB1      ARG  22 -17.613   2.758   3.762
  200   2HB   ARG  22           HB2      ARG  22 -17.442   2.971   2.025
  201   1HG   ARG  22           HG1      ARG  22 -15.105   2.400   2.098
  202   2HG   ARG  22           HG2      ARG  22 -15.226   1.838   3.761
  203   1HD   ARG  22           HD1      ARG  22 -16.025   4.665   3.145
  204   2HD   ARG  22           HD2      ARG  22 -14.310   4.272   3.244
  205    HE   ARG  22           HE       ARG  22 -15.206   3.169   5.550
  206   1HH1  ARG  22          HH21      ARG  22 -17.664   4.812   5.404
  207   2HH1  ARG  22          HH22      ARG  22 -17.214   6.258   6.245
  208   1HH2  ARG  22          HH11      ARG  22 -13.785   5.568   6.012
  209   2HH2  ARG  22          HH12      ARG  22 -14.961   6.697   6.599
  210    H    THR  23           HN       THR  23 -19.451   1.013   1.078
  211    HA   THR  23           HA       THR  23 -21.481   1.296   3.079
  212    HB   THR  23           HB       THR  23 -21.967   0.107   0.282
  213    HG1  THR  23           HG1      THR  23 -20.461   1.966   0.464
  214   1HG2  THR  23          HG21      THR  23 -23.743   2.201   0.685
  215   2HG2  THR  23          HG22      THR  23 -23.561   1.656   2.346
  216   3HG2  THR  23          HG23      THR  23 -24.144   0.546   1.118
  217    H    HIS  24           HN       HIS  24 -19.570  -1.325   2.477
  218    HA   HIS  24           HA       HIS  24 -21.707  -3.339   2.962
  219   1HB   HIS  24           HB1      HIS  24 -19.515  -4.855   3.006
  220   2HB   HIS  24           HB2      HIS  24 -18.750  -3.438   2.298
  221    HD1  HIS  24           HD1      HIS  24 -21.706  -5.636   1.536
  222    HD2  HIS  24           HD2      HIS  24 -19.046  -3.236  -0.400
  223    HE1  HIS  24           HE1      HIS  24 -22.138  -5.968  -0.876
  224    H    THR  25           HN       THR  25 -19.943  -1.270   4.815
  225    HA   THR  25           HA       THR  25 -19.421  -3.192   6.999
  226    HB   THR  25           HB       THR  25 -18.620  -0.912   8.096
  227    HG1  THR  25           HG1      THR  25 -18.253   0.191   5.732
  228   1HG2  THR  25          HG21      THR  25 -16.646  -0.749   6.404
  229   2HG2  THR  25          HG22      THR  25 -17.439  -2.048   5.519
  230   3HG2  THR  25          HG23      THR  25 -16.854  -2.327   7.156
  231    H    ASP  26           HN       ASP  26 -20.308  -0.013   7.812
  232    HA   ASP  26           HA       ASP  26 -23.107  -0.593   8.346
  233   1HB   ASP  26           HB1      ASP  26 -22.681  -0.104  10.893
  234   2HB   ASP  26           HB2      ASP  26 -21.005  -0.529  10.552
  235    H    VAL  27           HN       VAL  27 -21.382   1.294   7.001
  236    HA   VAL  27           HA       VAL  27 -21.737   3.779   8.554
  237    HB   VAL  27           HB       VAL  27 -19.628   3.465   7.359
  238   1HG1  VAL  27          HG11      VAL  27 -20.270   1.859   5.702
  239   2HG1  VAL  27          HG12      VAL  27 -19.678   3.269   4.834
  240   3HG1  VAL  27          HG13      VAL  27 -21.407   2.978   4.965
  241   1HG2  VAL  27          HG21      VAL  27 -20.769   5.354   5.416
  242   2HG2  VAL  27          HG22      VAL  27 -19.512   5.611   6.622
  243   3HG2  VAL  27          HG23      VAL  27 -21.208   5.713   7.084
  244    NH1  ARG  28           NH2      ARG  28 -25.728  -2.234   4.755
  245    NH2  ARG  28           NH1      ARG  28 -23.496  -2.238   5.243
  246    H    ARG  28           HN       ARG  28 -24.141   2.651   7.957
  247    HA   ARG  28           HA       ARG  28 -25.256   4.415   5.818
  248   1HB   ARG  28           HB1      ARG  28 -27.133   2.638   5.837
  249   2HB   ARG  28           HB2      ARG  28 -26.050   1.655   6.813
  250   1HG   ARG  28           HG1      ARG  28 -24.314   2.121   4.919
  251   2HG   ARG  28           HG2      ARG  28 -25.719   2.559   3.958
  252   1HD   ARG  28           HD1      ARG  28 -25.606   0.279   3.501
  253   2HD   ARG  28           HD2      ARG  28 -26.665   0.259   4.911
  254    HE   ARG  28           HE       ARG  28 -24.054   0.099   5.925
  255   1HH1  ARG  28          HH21      ARG  28 -26.580  -1.723   4.651
  256   2HH1  ARG  28          HH22      ARG  28 -25.714  -3.222   4.598
  257   1HH2  ARG  28          HH11      ARG  28 -22.676  -1.728   5.505
  258   2HH2  ARG  28          HH12      ARG  28 -23.445  -3.225   5.094
  259    HA   PRO  29           HA       PRO  29 -26.958   5.765   9.930
  260   1HB   PRO  29           HB1      PRO  29 -26.117   7.892  10.110
  261   2HB   PRO  29           HB2      PRO  29 -27.194   8.440   8.825
  262   1HG   PRO  29           HG1      PRO  29 -24.327   7.963   8.680
  263   2HG   PRO  29           HG2      PRO  29 -25.386   8.607   7.425
  264   1HD   PRO  29           HD1      PRO  29 -25.366   6.616   6.322
  265   2HD   PRO  29           HD2      PRO  29 -24.186   6.016   7.497
  266    OH   TYR  30           OH       TYR  30 -27.585  11.570   4.685
  267    H    TYR  30           HN       TYR  30 -28.065   5.872   6.693
  268    HA   TYR  30           HA       TYR  30 -30.713   6.935   7.459
  269   1HB   TYR  30           HB1      TYR  30 -31.223   6.651   5.029
  270   2HB   TYR  30           HB2      TYR  30 -29.698   5.810   4.799
  271    HD1  TYR  30           HD1      TYR  30 -30.926   9.001   6.333
  272    HD2  TYR  30           HD2      TYR  30 -27.915   7.109   4.000
  273    HE1  TYR  30           HE1      TYR  30 -29.801  11.158   6.034
  274    HE2  TYR  30           HE2      TYR  30 -26.789   9.265   3.706
  275    HH   TYR  30           HH       TYR  30 -26.754  11.539   5.166
  276    H    HIS  31           HN       HIS  31 -31.507   5.372   8.865
  277    HA   HIS  31           HA       HIS  31 -31.912   2.634   7.735
  278   1HB   HIS  31           HB1      HIS  31 -32.253   1.928  10.063
  279   2HB   HIS  31           HB2      HIS  31 -32.286   3.602  10.608
  280    HD1  HIS  31           HD1      HIS  31 -29.934   1.047   9.474
  281    HD2  HIS  31           HD2      HIS  31 -29.779   4.873  10.809
  282    HE1  HIS  31           HE1      HIS  31 -27.582   1.463   9.898
  283    H    CYS  32           HN       CYS  32 -33.938   1.807   7.434
  284    HA   CYS  32           HA       CYS  32 -36.125   3.655   7.218
  285   1HB   CYS  32           HB1      CYS  32 -35.903   0.623   7.191
  286   2HB   CYS  32           HB2      CYS  32 -36.190   1.690   5.839
  287    H    THR  33           HN       THR  33 -38.125   3.622   8.416
  288    HA   THR  33           HA       THR  33 -37.613   3.192  11.301
  289    HB   THR  33           HB       THR  33 -39.893   4.588   9.775
  290    HG1  THR  33           HG1      THR  33 -38.363   5.957  11.542
  291   1HG2  THR  33          HG21      THR  33 -39.421   3.940  12.699
  292   2HG2  THR  33          HG22      THR  33 -40.955   4.151  11.861
  293   3HG2  THR  33          HG23      THR  33 -40.001   5.559  12.319
  294    OH   TYR  34           OH       TYR  34 -44.169   4.466   9.372
  295    H    TYR  34           HN       TYR  34 -38.304   1.088   9.176
  296    HA   TYR  34           HA       TYR  34 -40.325  -0.294  10.869
  297   1HB   TYR  34           HB1      TYR  34 -41.527  -1.037   8.810
  298   2HB   TYR  34           HB2      TYR  34 -40.409  -0.116   7.814
  299    HD1  TYR  34           HD2      TYR  34 -40.330   2.423   8.119
  300    HD2  TYR  34           HD1      TYR  34 -43.410   0.025   9.810
  301    HE1  TYR  34           HE2      TYR  34 -41.745   4.410   8.361
  302    HE2  TYR  34           HE1      TYR  34 -44.822   2.016  10.052
  303    HH   TYR  34           HH       TYR  34 -44.593   4.420  10.231
  304    H    CYS  35           HN       CYS  35 -38.082  -0.542   8.164
  305    HA   CYS  35           HA       CYS  35 -37.722  -3.428   8.665
  306   1HB   CYS  35           HB1      CYS  35 -36.395  -3.363   6.612
  307   2HB   CYS  35           HB2      CYS  35 -36.345  -1.625   6.644
  308    H    ASN  36           HN       ASN  36 -35.221  -3.933   8.069
  309    HA   ASN  36           HA       ASN  36 -33.635  -2.487  10.156
  310   1HB   ASN  36           HB1      ASN  36 -33.412  -5.367   9.131
  311   2HB   ASN  36           HB2      ASN  36 -34.095  -4.891  10.684
  312   1HD2  ASN  36          HD21      ASN  36 -31.911  -2.686  10.795
  313   2HD2  ASN  36          HD22      ASN  36 -30.528  -3.522  11.313
  314    H    PHE  37           HN       PHE  37 -34.064  -2.411   7.034
  315    HA   PHE  37           HA       PHE  37 -31.292  -2.770   6.121
  316   1HB   PHE  37           HB1      PHE  37 -33.432  -1.406   4.485
  317   2HB   PHE  37           HB2      PHE  37 -33.615  -3.125   4.824
  318    HD1  PHE  37           HD2      PHE  37 -31.662  -4.679   4.227
  319    HD2  PHE  37           HD1      PHE  37 -31.908  -0.666   2.825
  320    HE1  PHE  37           HE2      PHE  37 -30.041  -5.196   2.456
  321    HE2  PHE  37           HE1      PHE  37 -30.286  -1.187   1.055
  322    HZ   PHE  37           HZ       PHE  37 -29.351  -3.451   0.870
  323    H    SER  38           HN       SER  38 -30.043  -1.063   5.212
  324    HA   SER  38           HA       SER  38 -30.938   1.677   5.870
  325   1HB   SER  38           HB1      SER  38 -28.162   0.717   6.660
  326   2HB   SER  38           HB2      SER  38 -29.525   0.600   7.780
  327    HG   SER  38           HG1      SER  38 -28.970   2.962   6.339
  328    H    PHE  39           HN       PHE  39 -29.864   3.306   4.749
  329    HA   PHE  39           HA       PHE  39 -28.276   2.341   2.401
  330   1HB   PHE  39           HB1      PHE  39 -29.443   3.965   1.066
  331   2HB   PHE  39           HB2      PHE  39 -30.020   4.829   2.489
  332    HD1  PHE  39           HD2      PHE  39 -31.696   3.684   4.009
  333    HD2  PHE  39           HD1      PHE  39 -30.677   2.094   0.197
  334    HE1  PHE  39           HE2      PHE  39 -33.720   2.298   4.049
  335    HE2  PHE  39           HE1      PHE  39 -32.701   0.702   0.243
  336    HZ   PHE  39           HZ       PHE  39 -34.221   0.802   2.171
  337    H    LYS  40           HN       LYS  40 -26.712   3.818   1.559
  338    HA   LYS  40           HA       LYS  40 -25.362   5.318   3.687
  339   1HB   LYS  40           HB1      LYS  40 -24.709   4.640   0.785
  340   2HB   LYS  40           HB2      LYS  40 -23.996   3.939   2.217
  341   1HG   LYS  40           HG1      LYS  40 -23.634   6.815   1.294
  342   2HG   LYS  40           HG2      LYS  40 -22.435   5.541   1.196
  343   1HD   LYS  40           HD1      LYS  40 -22.656   5.297   3.721
  344   2HD   LYS  40           HD2      LYS  40 -23.568   6.798   3.704
  345   1HE   LYS  40           HE1      LYS  40 -21.199   7.268   4.141
  346   2HE   LYS  40           HE2      LYS  40 -21.660   7.922   2.576
  347   1HZ   LYS  40           HZ1      LYS  40 -19.546   6.332   3.011
  348   2HZ   LYS  40           HZ2      LYS  40 -20.309   6.533   1.507
  349   3HZ   LYS  40           HZ3      LYS  40 -20.705   5.206   2.490
  350    H    THR  41           HN       THR  41 -27.557   5.944   1.187
  351    HA   THR  41           HA       THR  41 -26.948   8.870   1.359
  352    HB   THR  41           HB       THR  41 -27.505   9.072  -0.978
  353    HG1  THR  41           HG1      THR  41 -29.446   7.867  -0.678
  354   1HG2  THR  41          HG21      THR  41 -26.167   7.373  -2.097
  355   2HG2  THR  41          HG22      THR  41 -26.592   6.147  -0.906
  356   3HG2  THR  41          HG23      THR  41 -25.459   7.429  -0.486
  357    H    LYS  42           HN       LYS  42 -28.731  10.285   1.213
  358    HA   LYS  42           HA       LYS  42 -31.035   9.296   2.660
  359   1HB   LYS  42           HB1      LYS  42 -30.358  12.026   1.477
  360   2HB   LYS  42           HB2      LYS  42 -30.139  11.539   3.154
  361   1HG   LYS  42           HG1      LYS  42 -32.666  11.079   3.193
  362   2HG   LYS  42           HG2      LYS  42 -32.742  11.942   1.660
  363   1HD   LYS  42           HD1      LYS  42 -31.201  13.624   3.244
  364   2HD   LYS  42           HD2      LYS  42 -32.393  12.998   4.377
  365   1HE   LYS  42           HE1      LYS  42 -33.393  14.936   3.386
  366   2HE   LYS  42           HE2      LYS  42 -34.162  13.556   2.615
  367   1HZ   LYS  42           HZ1      LYS  42 -31.775  14.816   1.431
  368   2HZ   LYS  42           HZ2      LYS  42 -33.327  15.447   1.151
  369   3HZ   LYS  42           HZ3      LYS  42 -32.958  13.857   0.680
  370    H    GLY  43           HN       GLY  43 -30.177   9.680  -0.601
  371   1HA   GLY  43           HA1      GLY  43 -31.423   9.503  -2.587
  372   2HA   GLY  43           HA2      GLY  43 -32.764  10.249  -1.722
  373    H    ASN  44           HN       ASN  44 -30.991   7.162  -1.731
  374    HA   ASN  44           HA       ASN  44 -33.033   5.488  -2.545
  375   1HB   ASN  44           HB1      ASN  44 -31.872   3.791  -0.891
  376   2HB   ASN  44           HB2      ASN  44 -30.769   5.118  -0.552
  377   1HD2  ASN  44          HD21      ASN  44 -31.122   6.132  -3.410
  378   2HD2  ASN  44          HD22      ASN  44 -30.162   5.095  -4.352
  379    H    LEU  45           HN       LEU  45 -32.605   6.973   0.590
  380    HA   LEU  45           HA       LEU  45 -34.444   5.402   2.077
  381   1HB   LEU  45           HB1      LEU  45 -34.139   8.413   2.393
  382   2HB   LEU  45           HB2      LEU  45 -32.802   7.348   2.792
  383    HG   LEU  45           HG       LEU  45 -34.183   7.901   4.789
  384   1HD1  LEU  45          HD11      LEU  45 -36.471   7.322   4.986
  385   2HD1  LEU  45          HD12      LEU  45 -36.435   6.291   3.566
  386   3HD1  LEU  45          HD13      LEU  45 -36.344   8.035   3.383
  387   1HD2  LEU  45          HD21      LEU  45 -34.770   4.998   4.347
  388   2HD2  LEU  45          HD22      LEU  45 -33.975   5.794   5.697
  389   3HD2  LEU  45          HD23      LEU  45 -33.101   5.516   4.200
  390    H    THR  46           HN       THR  46 -34.998   8.574   0.550
  391    HA   THR  46           HA       THR  46 -37.784   8.662   0.914
  392    HB   THR  46           HB       THR  46 -36.217   9.677  -1.535
  393    HG1  THR  46           HG1      THR  46 -35.977  10.136   1.058
  394   1HG2  THR  46          HG21      THR  46 -38.793  10.530  -0.096
  395   2HG2  THR  46          HG22      THR  46 -38.653  10.058  -1.787
  396   3HG2  THR  46          HG23      THR  46 -37.951  11.575  -1.236
  397    H    LYS  47           HN       LYS  47 -35.868   6.952  -1.465
  398    HA   LYS  47           HA       LYS  47 -38.104   6.277  -3.177
  399   1HB   LYS  47           HB1      LYS  47 -35.406   4.885  -2.807
  400   2HB   LYS  47           HB2      LYS  47 -35.713   6.206  -3.929
  401   1HG   LYS  47           HG1      LYS  47 -37.624   4.668  -4.837
  402   2HG   LYS  47           HG2      LYS  47 -36.751   3.377  -4.018
  403   1HD   LYS  47           HD1      LYS  47 -34.701   3.967  -5.267
  404   2HD   LYS  47           HD2      LYS  47 -35.565   5.269  -6.077
  405   1HE   LYS  47           HE1      LYS  47 -37.213   3.515  -6.903
  406   2HE   LYS  47           HE2      LYS  47 -36.105   2.294  -6.289
  407   1HZ   LYS  47           HZ1      LYS  47 -36.015   3.480  -8.744
  408   2HZ   LYS  47           HZ2      LYS  47 -34.789   2.545  -8.032
  409   3HZ   LYS  47           HZ3      LYS  47 -34.763   4.237  -7.881
  410    H    HIS  48           HN       HIS  48 -36.403   4.549  -0.573
  411    HA   HIS  48           HA       HIS  48 -37.987   2.157  -0.830
  412   1HB   HIS  48           HB1      HIS  48 -36.357   3.311   1.485
  413   2HB   HIS  48           HB2      HIS  48 -35.862   2.045   0.366
  414    HD1  HIS  48           HD1      HIS  48 -37.490  -0.129   0.561
  415    HD2  HIS  48           HD2      HIS  48 -37.543   2.369   3.798
  416    HE1  HIS  48           HE1      HIS  48 -38.464  -1.445   2.379
  417    H    MET  49           HN       MET  49 -38.619   5.230   0.559
  418    HA   MET  49           HA       MET  49 -40.767   4.166   2.289
  419   1HB   MET  49           HB1      MET  49 -41.093   6.762   2.626
  420   2HB   MET  49           HB2      MET  49 -39.557   6.904   1.778
  421   1HG   MET  49           HG1      MET  49 -39.085   6.814   4.128
  422   2HG   MET  49           HG2      MET  49 -38.557   5.317   3.407
  423   1HE   MET  49           HE1      MET  49 -38.270   5.482   6.018
  424   2HE   MET  49           HE2      MET  49 -39.381   4.639   7.098
  425   3HE   MET  49           HE3      MET  49 -39.620   6.350   6.747
  426    H    LYS  50           HN       LYS  50 -40.406   6.192  -0.594
  427    HA   LYS  50           HA       LYS  50 -43.085   6.917  -0.989
  428   1HB   LYS  50           HB1      LYS  50 -41.367   5.958  -3.301
  429   2HB   LYS  50           HB2      LYS  50 -40.903   7.402  -2.408
  430   1HG   LYS  50           HG1      LYS  50 -43.106   8.410  -2.862
  431   2HG   LYS  50           HG2      LYS  50 -43.607   6.956  -3.719
  432   1HD   LYS  50           HD1      LYS  50 -42.028   7.316  -5.468
  433   2HD   LYS  50           HD2      LYS  50 -41.137   8.505  -4.525
  434   1HE   LYS  50           HE1      LYS  50 -42.526   9.639  -6.207
  435   2HE   LYS  50           HE2      LYS  50 -43.114  10.012  -4.591
  436   1HZ   LYS  50           HZ1      LYS  50 -44.231   7.926  -6.380
  437   2HZ   LYS  50           HZ2      LYS  50 -44.910   9.460  -6.111
  438   3HZ   LYS  50           HZ3      LYS  50 -44.814   8.338  -4.839
  439    H    SER  51           HN       SER  51 -41.474   3.874  -1.773
  440    HA   SER  51           HA       SER  51 -43.511   2.662  -3.293
  441   1HB   SER  51           HB1      SER  51 -41.529   1.493  -1.274
  442   2HB   SER  51           HB2      SER  51 -41.398   1.485  -3.044
  443    HG   SER  51           HG1      SER  51 -42.820  -0.080  -3.154
  444    H    LYS  52           HN       LYS  52 -45.023   0.969  -2.619
  445    HA   LYS  52           HA       LYS  52 -46.734   1.932  -0.495
  446   1HB   LYS  52           HB1      LYS  52 -48.038  -0.193  -1.057
  447   2HB   LYS  52           HB2      LYS  52 -46.738  -0.632  -2.156
  448   1HG   LYS  52           HG1      LYS  52 -48.481   0.478  -3.447
  449   2HG   LYS  52           HG2      LYS  52 -47.082   1.539  -3.368
  450   1HD   LYS  52           HD1      LYS  52 -48.195   3.111  -2.144
  451   2HD   LYS  52           HD2      LYS  52 -48.986   1.908  -1.136
  452   1HE   LYS  52           HE1      LYS  52 -49.774   2.589  -3.988
  453   2HE   LYS  52           HE2      LYS  52 -50.622   3.133  -2.546
  454   1HZ   LYS  52           HZ1      LYS  52 -51.795   1.275  -3.228
  455   2HZ   LYS  52           HZ2      LYS  52 -50.794   0.662  -2.001
  456   3HZ   LYS  52           HZ3      LYS  52 -50.396   0.401  -3.630
  457    H    ALA  53           HN       ALA  53 -43.897   0.508  -0.159
  458    HA   ALA  53           HA       ALA  53 -44.133  -1.790   1.391
  459   1HB   ALA  53           HB1      ALA  53 -42.241   0.500   1.240
  460   2HB   ALA  53           HB2      ALA  53 -41.895  -1.226   1.293
  461   3HB   ALA  53           HB3      ALA  53 -42.215  -0.345   2.784
  462    H    HIS  54           HN       HIS  54 -43.631   1.306   3.043
  463    HA   HIS  54           HA       HIS  54 -46.010   1.121   4.614
  464   1HB   HIS  54           HB1      HIS  54 -45.102  -0.603   5.886
  465   2HB   HIS  54           HB2      HIS  54 -44.447   0.764   6.772
  466    HD1  HIS  54           HD1      HIS  54 -43.405  -2.114   4.890
  467    HD2  HIS  54           HD2      HIS  54 -41.649   1.407   6.006
  468    HE1  HIS  54           HE1      HIS  54 -40.991  -2.484   4.663
  469    H    SER  55           HN       SER  55 -46.343   3.225   4.585
  470    HA   SER  55           HA       SER  55 -44.415   4.964   5.972
  471   1HB   SER  55           HB1      SER  55 -44.657   6.676   4.067
  472   2HB   SER  55           HB2      SER  55 -45.420   5.394   3.106
  473    HG   SER  55           HG1      SER  55 -43.066   5.549   2.926
  474    H    LYS  56           HN       LYS  56 -45.815   5.356   7.574
  475    HA   LYS  56           HA       LYS  56 -48.617   5.936   7.194
  476   1HB   LYS  56           HB1      LYS  56 -48.579   6.454   9.604
  477   2HB   LYS  56           HB2      LYS  56 -46.827   6.603   9.580
  478   1HG   LYS  56           HG1      LYS  56 -46.653   4.211   8.904
  479   2HG   LYS  56           HG2      LYS  56 -48.402   4.068   8.998
  480   1HD   LYS  56           HD1      LYS  56 -46.875   5.119  11.376
  481   2HD   LYS  56           HD2      LYS  56 -46.913   3.387  11.075
  482   1HE   LYS  56           HE1      LYS  56 -49.540   4.767  10.897
  483   2HE   LYS  56           HE2      LYS  56 -48.825   4.702  12.501
  484   1HZ   LYS  56           HZ1      LYS  56 -49.128   2.331  10.755
  485   2HZ   LYS  56           HZ2      LYS  56 -50.272   2.791  11.922
  486   3HZ   LYS  56           HZ3      LYS  56 -48.701   2.359  12.398
  487    H    LYS  57           HN       LYS  57 -47.729   7.598   5.451
  488    HA   LYS  57           HA       LYS  57 -46.752  10.116   6.176
  489   1HB   LYS  57           HB1      LYS  57 -47.121   9.331   3.819
  490   2HB   LYS  57           HB2      LYS  57 -47.843  10.914   4.087
  491   1HG   LYS  57           HG1      LYS  57 -49.985  10.117   3.896
  492   2HG   LYS  57           HG2      LYS  57 -49.600   8.600   4.701
  493   1HD   LYS  57           HD1      LYS  57 -50.132   8.192   2.332
  494   2HD   LYS  57           HD2      LYS  57 -48.442   7.816   2.643
  495   1HE   LYS  57           HE1      LYS  57 -47.690   9.809   1.599
  496   2HE   LYS  57           HE2      LYS  57 -49.276  10.562   1.698
  497   1HZ   LYS  57           HZ1      LYS  57 -50.063   8.797   0.146
  498   2HZ   LYS  57           HZ2      LYS  57 -48.442   8.338  -0.068
  499   3HZ   LYS  57                 LYS  57 -48.952   9.893  -0.523
   
  Start of MODEL           4
 Raw file had 499 H/Q atoms
  Start of MODEL    4
    1   1H    LYS   1           HT1      LYS   1  -6.910  -2.888 -10.698
    2   2H    LYS   1           HT2      LYS   1  -7.281  -2.015  -9.289
    3   3H    LYS   1           HT3      LYS   1  -7.895  -1.508 -10.789
    4    HA   LYS   1           HA       LYS   1  -9.302  -3.382 -10.971
    5   1HB   LYS   1           HB1      LYS   1  -9.014  -5.309  -9.720
    6   2HB   LYS   1           HB2      LYS   1  -8.669  -4.413  -8.245
    7   1HG   LYS   1           HG1      LYS   1  -6.387  -3.983  -8.971
    8   2HG   LYS   1           HG2      LYS   1  -6.713  -4.690 -10.550
    9   1HD   LYS   1           HD1      LYS   1  -7.012  -6.884  -9.596
   10   2HD   LYS   1           HD2      LYS   1  -7.008  -6.238  -7.959
   11   1HE   LYS   1           HE1      LYS   1  -4.697  -5.793  -8.004
   12   2HE   LYS   1           HE2      LYS   1  -4.635  -5.792  -9.762
   13   1HZ   LYS   1           HZ1      LYS   1  -4.908  -8.135  -9.806
   14   2HZ   LYS   1           HZ2      LYS   1  -5.214  -8.201  -8.137
   15   3HZ   LYS   1           HZ3      LYS   1  -3.665  -7.789  -8.700
   16    OH   TYR   2           OH       TYR   2  -7.173   2.389  -8.410
   17    H    TYR   2           HN       TYR   2 -11.276  -2.696 -10.498
   18    HA   TYR   2           HA       TYR   2 -11.851  -1.684  -7.768
   19   1HB   TYR   2           HB1      TYR   2 -12.935   0.349  -8.724
   20   2HB   TYR   2           HB2      TYR   2 -12.413  -0.131 -10.338
   21    HD1  TYR   2           HD2      TYR   2 -11.197   0.879  -6.988
   22    HD2  TYR   2           HD1      TYR   2 -10.162   0.264 -11.064
   23    HE1  TYR   2           HE2      TYR   2  -9.053   2.010  -6.614
   24    HE2  TYR   2           HE1      TYR   2  -8.010   1.376 -10.688
   25    HH   TYR   2           HH       TYR   2  -7.201   2.803  -7.545
   26    H    ILE   3           HN       ILE   3 -12.895  -3.897  -8.080
   27    HA   ILE   3           HA       ILE   3 -15.706  -3.423  -8.930
   28    HB   ILE   3           HB       ILE   3 -14.216  -6.019  -9.521
   29   1HG1  ILE   3          HG11      ILE   3 -13.088  -4.247 -10.768
   30   2HG1  ILE   3          HG12      ILE   3 -14.630  -3.614 -11.331
   31   1HG2  ILE   3          HG21      ILE   3 -16.156  -6.540 -10.813
   32   2HG2  ILE   3          HG22      ILE   3 -16.625  -4.849 -10.963
   33   3HG2  ILE   3          HG23      ILE   3 -16.845  -5.692  -9.432
   34   1HD1  ILE   3           HD1      ILE   3 -13.297  -5.206 -12.914
   35   2HD1  ILE   3           HD2      ILE   3 -15.026  -5.477 -12.725
   36   3HD1  ILE   3           HD3      ILE   3 -13.876  -6.488 -11.855
   37    H    CYS   4           HN       CYS   4 -17.019  -3.917  -7.288
   38    HA   CYS   4           HA       CYS   4 -16.020  -5.183  -4.927
   39   1HB   CYS   4           HB1      CYS   4 -18.833  -4.642  -5.894
   40   2HB   CYS   4           HB2      CYS   4 -17.909  -3.676  -4.779
   41    H    GLU   5           HN       GLU   5 -15.594  -7.214  -4.656
   42    HA   GLU   5           HA       GLU   5 -16.368  -9.260  -6.483
   43   1HB   GLU   5           HB1      GLU   5 -15.366 -10.794  -4.783
   44   2HB   GLU   5           HB2      GLU   5 -15.355  -9.482  -3.611
   45   1HG   GLU   5           HG1      GLU   5 -13.456  -8.607  -4.487
   46   2HG   GLU   5           HG2      GLU   5 -14.100  -8.688  -6.125
   47    H    GLU   6           HN       GLU   6 -18.048  -7.832  -3.889
   48    HA   GLU   6           HA       GLU   6 -19.697 -10.201  -3.413
   49   1HB   GLU   6           HB1      GLU   6 -20.207  -7.419  -2.311
   50   2HB   GLU   6           HB2      GLU   6 -18.953  -8.446  -1.625
   51   1HG   GLU   6           HG1      GLU   6 -20.638 -10.219  -1.215
   52   2HG   GLU   6           HG2      GLU   6 -21.890  -9.182  -1.891
   53    H    CYS   7           HN       CYS   7 -20.587  -6.808  -4.035
   54    HA   CYS   7           HA       CYS   7 -23.117  -7.618  -5.197
   55   1HB   CYS   7           HB1      CYS   7 -23.471  -5.283  -5.587
   56   2HB   CYS   7           HB2      CYS   7 -21.767  -4.945  -5.622
   57    H    GLY   8           HN       GLY   8 -20.099  -6.304  -6.508
   58   1HA   GLY   8           HA1      GLY   8 -20.859  -7.435  -9.166
   59   2HA   GLY   8           HA2      GLY   8 -19.204  -7.154  -8.631
   60    H    ILE   9           HN       ILE   9 -20.309  -4.529  -7.443
   61    HA   ILE   9           HA       ILE   9 -21.193  -2.890  -9.574
   62    HB   ILE   9           HB       ILE   9 -21.087  -2.424  -6.995
   63   1HG1  ILE   9          HG11      ILE   9 -20.655  -0.503  -9.250
   64   2HG1  ILE   9          HG12      ILE   9 -20.564   0.119  -7.606
   65   1HG2  ILE   9          HG21      ILE   9 -18.473  -2.719  -7.124
   66   2HG2  ILE   9          HG22      ILE   9 -19.088  -1.380  -6.170
   67   3HG2  ILE   9          HG23      ILE   9 -18.462  -1.092  -7.787
   68   1HD1  ILE   9           HD1      ILE   9 -22.789  -0.577  -7.106
   69   2HD1  ILE   9           HD2      ILE   9 -22.861  -1.624  -8.519
   70   3HD1  ILE   9           HD3      ILE   9 -22.892   0.125  -8.718
   71    NH1  ARG  10           NH2      ARG  10 -15.296  -1.337 -16.732
   72    NH2  ARG  10           NH1      ARG  10 -16.568  -3.021 -17.609
   73    H    ARG  10           HN       ARG  10 -20.168  -1.778 -11.136
   74    HA   ARG  10           HA       ARG  10 -17.229  -2.238 -11.402
   75   1HB   ARG  10           HB1      ARG  10 -19.248  -1.424 -13.540
   76   2HB   ARG  10           HB2      ARG  10 -18.835  -3.097 -13.191
   77   1HG   ARG  10           HG1      ARG  10 -16.411  -1.559 -13.488
   78   2HG   ARG  10           HG2      ARG  10 -17.444  -1.290 -14.886
   79   1HD   ARG  10           HD1      ARG  10 -17.703  -3.762 -15.135
   80   2HD   ARG  10           HD2      ARG  10 -16.586  -3.989 -13.790
   81    HE   ARG  10           HE       ARG  10 -14.850  -3.614 -15.328
   82   1HH1  ARG  10          HH21      ARG  10 -14.761  -0.978 -15.968
   83   2HH1  ARG  10          HH22      ARG  10 -15.400  -0.798 -17.568
   84   1HH2  ARG  10          HH11      ARG  10 -16.985  -3.924 -17.502
   85   2HH2  ARG  10          HH12      ARG  10 -16.692  -2.511 -18.459
   86    H    ABA  11           HN       ABU  11 -16.113  -0.526 -10.710
   87    HA   ABA  11           HA       ABU  11 -16.923   2.160 -11.737
   88   1HB   ABA  11           HB1      ABU  11 -16.400   3.135  -9.549
   89   2HB   ABA  11           HB2      ABU  11 -15.878   1.584  -8.938
   90   1HG   ABA  11           HG1      ABU  11 -18.694   2.287  -9.812
   91   2HG   ABA  11           HG2      ABU  11 -18.156   2.050  -8.151
   92   3HG   ABA  11           HG3      ABU  11 -18.179   0.693  -9.273
   93    H    LYS  12           HN       LYS  12 -15.312   2.268 -13.226
   94    HA   LYS  12           HA       LYS  12 -12.663   1.388 -12.954
   95   1HB   LYS  12           HB1      LYS  12 -12.200   3.150 -14.753
   96   2HB   LYS  12           HB2      LYS  12 -13.860   3.695 -14.541
   97   1HG   LYS  12           HG1      LYS  12 -14.668   1.409 -15.084
   98   2HG   LYS  12           HG2      LYS  12 -13.005   0.884 -15.320
   99   1HD   LYS  12           HD1      LYS  12 -13.945   3.291 -16.839
  100   2HD   LYS  12           HD2      LYS  12 -14.494   1.709 -17.377
  101   1HE   LYS  12           HE1      LYS  12 -12.333   0.985 -17.891
  102   2HE   LYS  12           HE2      LYS  12 -11.581   2.104 -16.761
  103   1HZ   LYS  12           HZ1      LYS  12 -13.062   3.283 -18.969
  104   2HZ   LYS  12           HZ2      LYS  12 -11.610   2.497 -19.367
  105   3HZ   LYS  12           HZ3      LYS  12 -11.606   3.775 -18.249
  106    H    LYS  13           HN       LYS  13 -14.154   4.000 -11.327
  107    HA   LYS  13           HA       LYS  13 -11.499   5.250 -10.819
  108   1HB   LYS  13           HB1      LYS  13 -12.990   7.127  -9.830
  109   2HB   LYS  13           HB2      LYS  13 -14.348   6.256 -10.531
  110   1HG   LYS  13           HG1      LYS  13 -13.880   7.528 -12.376
  111   2HG   LYS  13           HG2      LYS  13 -12.643   6.307 -12.660
  112   1HD   LYS  13           HD1      LYS  13 -11.022   7.694 -11.359
  113   2HD   LYS  13           HD2      LYS  13 -12.262   8.929 -11.172
  114   1HE   LYS  13           HE1      LYS  13 -10.886   9.561 -13.061
  115   2HE   LYS  13           HE2      LYS  13 -12.435   9.018 -13.694
  116   1HZ   LYS  13           HZ1      LYS  13  -9.814   7.735 -13.835
  117   2HZ   LYS  13           HZ2      LYS  13 -11.031   7.853 -15.013
  118   3HZ   LYS  13           HZ3      LYS  13 -11.182   6.733 -13.745
  119    HA   PRO  14           HA       PRO  14 -11.468   3.669  -6.662
  120   1HB   PRO  14           HB1      PRO  14  -9.423   4.533  -6.032
  121   2HB   PRO  14           HB2      PRO  14 -10.267   5.960  -5.429
  122   1HG   PRO  14           HG1      PRO  14  -8.480   5.892  -7.626
  123   2HG   PRO  14           HG2      PRO  14  -9.559   7.225  -7.214
  124   1HD   PRO  14           HD1      PRO  14 -10.682   6.794  -9.168
  125   2HD   PRO  14           HD2      PRO  14  -9.769   5.288  -9.398
  126    H    SER  15           HN       SER  15 -11.770   7.197  -6.267
  127    HA   SER  15           HA       SER  15 -13.283   7.505  -4.063
  128   1HB   SER  15           HB1      SER  15 -12.836   9.446  -5.496
  129   2HB   SER  15           HB2      SER  15 -14.602   9.339  -5.359
  130    HG   SER  15           HG1      SER  15 -14.731   8.542  -7.343
  131    H    MET  16           HN       MET  16 -14.662   6.436  -7.149
  132    HA   MET  16           HA       MET  16 -17.339   6.220  -6.097
  133   1HB   MET  16           HB1      MET  16 -17.536   4.638  -8.193
  134   2HB   MET  16           HB2      MET  16 -15.889   5.158  -8.542
  135   1HG   MET  16           HG1      MET  16 -16.773   7.547  -8.219
  136   2HG   MET  16           HG2      MET  16 -18.370   6.852  -8.310
  137   1HE   MET  16           HE1      MET  16 -18.968   5.885 -11.847
  138   2HE   MET  16           HE2      MET  16 -19.659   6.396 -10.307
  139   3HE   MET  16           HE3      MET  16 -18.678   4.933 -10.390
  140    H    LEU  17           HN       LEU  17 -14.824   3.763  -6.805
  141    HA   LEU  17           HA       LEU  17 -16.362   1.626  -5.638
  142   1HB   LEU  17           HB1      LEU  17 -13.324   1.691  -5.811
  143   2HB   LEU  17           HB2      LEU  17 -14.286   1.531  -7.259
  144    HG   LEU  17           HG       LEU  17 -13.518  -0.681  -6.340
  145   1HD1  LEU  17          HD11      LEU  17 -15.463  -0.234  -4.075
  146   2HD1  LEU  17          HD12      LEU  17 -13.746   0.113  -3.922
  147   3HD1  LEU  17          HD13      LEU  17 -14.286  -1.522  -4.268
  148   1HD2  LEU  17          HD21      LEU  17 -15.501  -1.834  -6.813
  149   2HD2  LEU  17          HD22      LEU  17 -15.787  -0.291  -7.595
  150   3HD2  LEU  17          HD23      LEU  17 -16.523  -0.632  -6.041
  151    H    LYS  18           HN       LYS  18 -13.426   3.292  -4.516
  152    HA   LYS  18           HA       LYS  18 -13.056   2.347  -2.004
  153   1HB   LYS  18           HB1      LYS  18 -13.016   5.181  -3.078
  154   2HB   LYS  18           HB2      LYS  18 -11.658   4.173  -2.594
  155   1HG   LYS  18           HG1      LYS  18 -12.705   4.316  -0.205
  156   2HG   LYS  18           HG2      LYS  18 -13.591   5.695  -0.848
  157   1HD   LYS  18           HD1      LYS  18 -11.405   6.687  -1.579
  158   2HD   LYS  18           HD2      LYS  18 -10.577   5.357  -0.776
  159   1HE   LYS  18           HE1      LYS  18 -10.707   6.487   1.172
  160   2HE   LYS  18           HE2      LYS  18 -12.461   6.391   1.085
  161   1HZ   LYS  18           HZ1      LYS  18 -12.492   8.409  -0.214
  162   2HZ   LYS  18           HZ2      LYS  18 -10.796   8.493  -0.181
  163   3HZ   LYS  18           HZ3      LYS  18 -11.682   8.671   1.256
  164    H    LYS  19           HN       LYS  19 -15.562   4.716  -2.854
  165    HA   LYS  19           HA       LYS  19 -16.590   4.843  -0.176
  166   1HB   LYS  19           HB1      LYS  19 -18.701   5.629  -1.722
  167   2HB   LYS  19           HB2      LYS  19 -17.406   5.793  -2.901
  168   1HG   LYS  19           HG1      LYS  19 -16.141   7.214  -1.322
  169   2HG   LYS  19           HG2      LYS  19 -17.428   7.044  -0.133
  170   1HD   LYS  19           HD1      LYS  19 -19.017   8.017  -1.855
  171   2HD   LYS  19           HD2      LYS  19 -17.612   8.370  -2.856
  172   1HE   LYS  19           HE1      LYS  19 -16.693   9.516  -0.669
  173   2HE   LYS  19           HE2      LYS  19 -18.388   9.555  -0.202
  174   1HZ   LYS  19           HZ1      LYS  19 -18.291  11.494  -1.314
  175   2HZ   LYS  19           HZ2      LYS  19 -18.595  10.490  -2.651
  176   3HZ   LYS  19           HZ3      LYS  19 -17.010  11.004  -2.316
  177    H    HIS  20           HN       HIS  20 -17.434   3.046  -3.088
  178    HA   HIS  20           HA       HIS  20 -19.808   1.834  -2.132
  179   1HB   HIS  20           HB1      HIS  20 -17.687   0.713  -4.011
  180   2HB   HIS  20           HB2      HIS  20 -19.078   1.670  -4.510
  181    HD1  HIS  20           HD1      HIS  20 -21.080   0.245  -4.965
  182    HD2  HIS  20           HD2      HIS  20 -18.386  -1.770  -2.680
  183    HE1  HIS  20           HE1      HIS  20 -22.016  -1.996  -4.676
  184    H    ILE  21           HN       ILE  21 -16.481   0.550  -2.157
  185    HA   ILE  21           HA       ILE  21 -17.091  -1.821  -0.745
  186    HB   ILE  21           HB       ILE  21 -14.816  -0.884  -1.884
  187   1HG1  ILE  21          HG11      ILE  21 -14.997  -2.835   0.441
  188   2HG1  ILE  21          HG12      ILE  21 -13.576  -2.667  -0.580
  189   1HG2  ILE  21          HG21      ILE  21 -13.183  -0.161  -0.263
  190   2HG2  ILE  21          HG22      ILE  21 -14.193  -0.634   1.097
  191   3HG2  ILE  21          HG23      ILE  21 -14.613   0.766   0.129
  192   1HD1  ILE  21           HD1      ILE  21 -15.793  -2.918  -2.345
  193   2HD1  ILE  21           HD2      ILE  21 -16.004  -4.145  -1.102
  194   3HD1  ILE  21           HD3      ILE  21 -14.523  -4.099  -2.052
  195    NH1  ARG  22           NH2      ARG  22 -12.200   2.379   3.598
  196    NH2  ARG  22           NH1      ARG  22 -11.596   3.911   2.013
  197    H    ARG  22           HN       ARG  22 -16.621   1.453   0.395
  198    HA   ARG  22           HA       ARG  22 -16.376   0.675   3.197
  199   1HB   ARG  22           HB1      ARG  22 -17.030   3.220   3.458
  200   2HB   ARG  22           HB2      ARG  22 -16.874   3.275   1.705
  201   1HG   ARG  22           HG1      ARG  22 -14.572   2.428   1.856
  202   2HG   ARG  22           HG2      ARG  22 -14.720   2.280   3.603
  203   1HD   ARG  22           HD1      ARG  22 -15.309   4.811   3.564
  204   2HD   ARG  22           HD2      ARG  22 -14.634   4.799   1.936
  205    HE   ARG  22           HE       ARG  22 -13.032   5.009   4.171
  206   1HH1  ARG  22          HH21      ARG  22 -12.786   2.130   4.368
  207   2HH1  ARG  22          HH22      ARG  22 -11.507   1.737   3.269
  208   1HH2  ARG  22          HH11      ARG  22 -11.732   4.809   1.595
  209   2HH2  ARG  22          HH12      ARG  22 -10.894   3.294   1.658
  210    H    THR  23           HN       THR  23 -18.987   0.972   1.010
  211    HA   THR  23           HA       THR  23 -21.010   1.639   2.980
  212    HB   THR  23           HB       THR  23 -21.557   0.036   0.427
  213    HG1  THR  23           HG1      THR  23 -20.059   2.172   0.640
  214   1HG2  THR  23          HG21      THR  23 -22.957   2.591   1.131
  215   2HG2  THR  23          HG22      THR  23 -23.237   1.285   2.279
  216   3HG2  THR  23          HG23      THR  23 -23.661   1.073   0.583
  217    H    HIS  24           HN       HIS  24 -19.282  -1.241   2.247
  218    HA   HIS  24           HA       HIS  24 -21.378  -3.024   3.311
  219   1HB   HIS  24           HB1      HIS  24 -19.405  -4.720   3.178
  220   2HB   HIS  24           HB2      HIS  24 -18.483  -3.419   2.431
  221    HD1  HIS  24           HD1      HIS  24 -21.772  -5.134   1.806
  222    HD2  HIS  24           HD2      HIS  24 -18.794  -3.284  -0.279
  223    HE1  HIS  24           HE1      HIS  24 -22.356  -5.411  -0.580
  224    H    THR  25           HN       THR  25 -19.700  -0.801   4.793
  225    HA   THR  25           HA       THR  25 -18.526  -2.372   6.975
  226    HB   THR  25           HB       THR  25 -18.231   0.042   7.923
  227    HG1  THR  25           HG1      THR  25 -18.681   1.516   6.058
  228   1HG2  THR  25          HG21      THR  25 -16.660   0.773   6.092
  229   2HG2  THR  25          HG22      THR  25 -17.364  -0.436   5.022
  230   3HG2  THR  25          HG23      THR  25 -16.435  -0.940   6.431
  231    H    ASP  26           HN       ASP  26 -20.209   0.455   7.822
  232    HA   ASP  26           HA       ASP  26 -22.594  -0.966   8.777
  233   1HB   ASP  26           HB1      ASP  26 -22.196  -0.201  11.148
  234   2HB   ASP  26           HB2      ASP  26 -20.618   0.418  10.666
  235    H    VAL  27           HN       VAL  27 -21.803   1.151   6.969
  236    HA   VAL  27           HA       VAL  27 -23.069   3.529   8.212
  237    HB   VAL  27           HB       VAL  27 -20.905   3.851   7.073
  238   1HG1  VAL  27          HG11      VAL  27 -22.284   2.799   4.587
  239   2HG1  VAL  27          HG12      VAL  27 -21.121   1.897   5.542
  240   3HG1  VAL  27          HG13      VAL  27 -20.618   3.353   4.698
  241   1HG2  VAL  27          HG21      VAL  27 -21.560   5.845   6.200
  242   2HG2  VAL  27          HG22      VAL  27 -23.197   5.341   6.605
  243   3HG2  VAL  27          HG23      VAL  27 -22.570   5.073   4.984
  244    NH1  ARG  28           NH1      ARG  28 -25.591  -3.172   2.389
  245    NH2  ARG  28           NH2      ARG  28 -23.357  -3.077   1.920
  246    H    ARG  28           HN       ARG  28 -24.791   1.471   7.723
  247    HA   ARG  28           HA       ARG  28 -26.429   2.503   5.440
  248   1HB   ARG  28           HB1      ARG  28 -27.303   0.060   5.388
  249   2HB   ARG  28           HB2      ARG  28 -25.914  -0.341   6.389
  250   1HG   ARG  28           HG1      ARG  28 -24.641   1.049   4.483
  251   2HG   ARG  28           HG2      ARG  28 -26.014   0.500   3.530
  252   1HD   ARG  28           HD1      ARG  28 -25.490  -1.839   4.603
  253   2HD   ARG  28           HD2      ARG  28 -23.901  -1.143   4.912
  254    HE   ARG  28           HE       ARG  28 -24.115  -0.581   2.301
  255   1HH1  ARG  28          HH11      ARG  28 -26.409  -2.727   2.755
  256   2HH1  ARG  28          HH12      ARG  28 -25.648  -4.101   2.025
  257   1HH2  ARG  28          HH21      ARG  28 -22.500  -2.561   1.935
  258   2HH2  ARG  28          HH22      ARG  28 -23.376  -4.005   1.547
  259    HA   PRO  29           HA       PRO  29 -28.783   2.861   9.417
  260   1HB   PRO  29           HB1      PRO  29 -29.178   5.118   9.521
  261   2HB   PRO  29           HB2      PRO  29 -30.304   5.008   8.169
  262   1HG   PRO  29           HG1      PRO  29 -27.567   6.027   8.162
  263   2HG   PRO  29           HG2      PRO  29 -28.748   6.061   6.851
  264   1HD   PRO  29           HD1      PRO  29 -27.733   4.310   5.811
  265   2HD   PRO  29           HD2      PRO  29 -26.431   4.406   7.011
  266    OH   TYR  30           OH       TYR  30 -32.771   7.624   3.708
  267    H    TYR  30           HN       TYR  30 -30.009   2.918   6.090
  268    HA   TYR  30           HA       TYR  30 -32.731   2.287   6.777
  269   1HB   TYR  30           HB1      TYR  30 -32.849   1.521   4.354
  270   2HB   TYR  30           HB2      TYR  30 -31.108   1.742   4.244
  271    HD1  TYR  30           HD1      TYR  30 -34.198   3.610   5.239
  272    HD2  TYR  30           HD2      TYR  30 -30.273   3.849   3.613
  273    HE1  TYR  30           HE1      TYR  30 -34.526   5.998   4.797
  274    HE2  TYR  30           HE2      TYR  30 -30.604   6.237   3.172
  275    HH   TYR  30           HH       TYR  30 -32.781   7.752   2.757
  276    H    HIS  31           HN       HIS  31 -32.844   0.600   8.240
  277    HA   HIS  31           HA       HIS  31 -31.686  -2.028   7.415
  278   1HB   HIS  31           HB1      HIS  31 -32.216  -2.692   9.778
  279   2HB   HIS  31           HB2      HIS  31 -32.954  -1.117  10.050
  280    HD1  HIS  31           HD1      HIS  31 -29.628  -2.491   9.181
  281    HD2  HIS  31           HD2      HIS  31 -31.214   0.850  10.843
  282    HE1  HIS  31           HE1      HIS  31 -27.714  -1.204   9.934
  283    H    CYS  32           HN       CYS  32 -32.977  -3.753   6.870
  284    HA   CYS  32           HA       CYS  32 -35.676  -3.310   6.106
  285   1HB   CYS  32           HB1      CYS  32 -34.011  -5.776   6.670
  286   2HB   CYS  32           HB2      CYS  32 -34.635  -5.215   5.141
  287    H    THR  33           HN       THR  33 -37.645  -3.997   7.067
  288    HA   THR  33           HA       THR  33 -37.609  -3.740   9.987
  289    HB   THR  33           HB       THR  33 -39.993  -4.295   8.126
  290    HG1  THR  33           HG1      THR  33 -38.718  -2.450   7.593
  291   1HG2  THR  33          HG21      THR  33 -41.233  -3.993  10.066
  292   2HG2  THR  33          HG22      THR  33 -40.402  -2.468  10.360
  293   3HG2  THR  33          HG23      THR  33 -39.733  -3.971  10.987
  294    OH   TYR  34           OH       TYR  34 -43.359  -6.571   7.470
  295    H    TYR  34           HN       TYR  34 -36.646  -6.198   8.391
  296    HA   TYR  34           HA       TYR  34 -37.857  -8.155  10.261
  297   1HB   TYR  34           HB1      TYR  34 -38.231  -9.784   8.424
  298   2HB   TYR  34           HB2      TYR  34 -37.602  -8.639   7.248
  299    HD1  TYR  34           HD2      TYR  34 -38.878  -6.479   6.846
  300    HD2  TYR  34           HD1      TYR  34 -40.508  -9.665   9.143
  301    HE1  TYR  34           HE2      TYR  34 -41.128  -5.563   6.521
  302    HE2  TYR  34           HE1      TYR  34 -42.759  -8.744   8.816
  303    HH   TYR  34           HH       TYR  34 -43.483  -6.415   6.532
  304    H    CYS  35           HN       CYS  35 -35.748  -8.287   7.410
  305    HA   CYS  35           HA       CYS  35 -33.923 -10.169   8.525
  306   1HB   CYS  35           HB1      CYS  35 -32.459  -9.527   6.672
  307   2HB   CYS  35           HB2      CYS  35 -33.296  -8.015   6.476
  308    H    ASN  36           HN       ASN  36 -31.446  -9.186   8.117
  309    HA   ASN  36           HA       ASN  36 -31.146  -7.084  10.223
  310   1HB   ASN  36           HB1      ASN  36 -29.282  -9.432   9.586
  311   2HB   ASN  36           HB2      ASN  36 -30.417  -9.409  10.934
  312   1HD2  ASN  36          HD21      ASN  36 -30.037  -6.596  11.621
  313   2HD2  ASN  36          HD22      ASN  36 -28.478  -6.447  12.277
  314    H    PHE  37           HN       PHE  37 -30.991  -7.602   7.061
  315    HA   PHE  37           HA       PHE  37 -28.364  -6.469   6.457
  316   1HB   PHE  37           HB1      PHE  37 -30.680  -6.572   4.507
  317   2HB   PHE  37           HB2      PHE  37 -29.908  -8.074   5.009
  318    HD1  PHE  37           HD2      PHE  37 -27.368  -8.280   4.708
  319    HD2  PHE  37           HD1      PHE  37 -29.643  -5.168   2.893
  320    HE1  PHE  37           HE2      PHE  37 -25.540  -7.864   3.121
  321    HE2  PHE  37           HE1      PHE  37 -27.812  -4.758   1.310
  322    HZ   PHE  37           HZ       PHE  37 -25.760  -6.105   1.423
  323    H    SER  38           HN       SER  38 -28.233  -4.487   5.069
  324    HA   SER  38           HA       SER  38 -30.412  -2.565   5.532
  325   1HB   SER  38           HB1      SER  38 -27.563  -1.980   6.470
  326   2HB   SER  38           HB2      SER  38 -28.863  -2.490   7.556
  327    HG   SER  38           HG1      SER  38 -29.058  -0.331   5.731
  328    H    PHE  39           HN       PHE  39 -29.872  -0.420   4.529
  329    HA   PHE  39           HA       PHE  39 -28.027  -0.729   2.207
  330   1HB   PHE  39           HB1      PHE  39 -29.761   0.010   0.707
  331   2HB   PHE  39           HB2      PHE  39 -30.785   0.539   2.043
  332    HD1  PHE  39           HD2      PHE  39 -31.813  -1.179   3.568
  333    HD2  PHE  39           HD1      PHE  39 -29.761  -2.302   0.008
  334    HE1  PHE  39           HE2      PHE  39 -32.792  -3.426   3.709
  335    HE2  PHE  39           HE1      PHE  39 -30.756  -4.544   0.147
  336    HZ   PHE  39           HZ       PHE  39 -32.268  -5.107   2.001
  337    H    LYS  40           HN       LYS  40 -27.442   1.305   1.216
  338    HA   LYS  40           HA       LYS  40 -27.091   3.398   3.254
  339   1HB   LYS  40           HB1      LYS  40 -26.073   3.024   0.399
  340   2HB   LYS  40           HB2      LYS  40 -25.171   2.738   1.871
  341   1HG   LYS  40           HG1      LYS  40 -26.159   5.434   0.870
  342   2HG   LYS  40           HG2      LYS  40 -24.492   4.886   0.922
  343   1HD   LYS  40           HD1      LYS  40 -25.025   4.507   3.485
  344   2HD   LYS  40           HD2      LYS  40 -26.277   5.702   3.186
  345   1HE   LYS  40           HE1      LYS  40 -23.292   5.997   2.949
  346   2HE   LYS  40           HE2      LYS  40 -24.440   7.042   3.777
  347   1HZ   LYS  40           HZ1      LYS  40 -23.614   7.037   1.022
  348   2HZ   LYS  40           HZ2      LYS  40 -24.269   8.291   1.961
  349   3HZ   LYS  40           HZ3      LYS  40 -25.296   7.152   1.231
  350    H    THR  41           HN       THR  41 -29.177   2.738   0.631
  351    HA   THR  41           HA       THR  41 -30.192   5.549   0.769
  352    HB   THR  41           HB       THR  41 -30.451   5.601  -1.646
  353    HG1  THR  41           HG1      THR  41 -30.603   3.726  -2.735
  354   1HG2  THR  41          HG21      THR  41 -28.231   5.033  -2.513
  355   2HG2  THR  41          HG22      THR  41 -28.010   3.774  -1.301
  356   3HG2  THR  41          HG23      THR  41 -27.944   5.470  -0.831
  357    H    LYS  42           HN       LYS  42 -32.420   5.800   0.262
  358    HA   LYS  42           HA       LYS  42 -34.038   3.715   1.394
  359   1HB   LYS  42           HB1      LYS  42 -34.890   6.201  -0.160
  360   2HB   LYS  42           HB2      LYS  42 -34.544   6.186   1.564
  361   1HG   LYS  42           HG1      LYS  42 -36.303   4.301   1.721
  362   2HG   LYS  42           HG2      LYS  42 -36.784   4.780   0.097
  363   1HD   LYS  42           HD1      LYS  42 -36.677   7.216   1.318
  364   2HD   LYS  42           HD2      LYS  42 -37.158   6.202   2.674
  365   1HE   LYS  42           HE1      LYS  42 -39.156   7.002   1.500
  366   2HE   LYS  42           HE2      LYS  42 -39.002   5.263   1.280
  367   1HZ   LYS  42           HZ1      LYS  42 -37.586   6.334  -0.789
  368   2HZ   LYS  42           HZ2      LYS  42 -38.942   7.349  -0.662
  369   3HZ   LYS  42           HZ3      LYS  42 -39.149   5.678  -0.875
  370    H    GLY  43           HN       GLY  43 -32.947   4.443  -1.758
  371   1HA   GLY  43           HA1      GLY  43 -33.436   3.472  -3.842
  372   2HA   GLY  43           HA2      GLY  43 -35.107   3.353  -3.294
  373    H    ASN  44           HN       ASN  44 -31.938   1.806  -2.859
  374    HA   ASN  44           HA       ASN  44 -32.667  -0.771  -3.566
  375   1HB   ASN  44           HB1      ASN  44 -30.816  -1.483  -1.913
  376   2HB   ASN  44           HB2      ASN  44 -30.717   0.208  -1.430
  377   1HD2  ASN  44          HD21      ASN  44 -28.558  -1.228  -2.737
  378   2HD2  ASN  44          HD22      ASN  44 -28.295  -0.493  -4.244
  379    H    LEU  45           HN       LEU  45 -33.191   0.857  -0.498
  380    HA   LEU  45           HA       LEU  45 -33.989  -1.425   1.003
  381   1HB   LEU  45           HB1      LEU  45 -34.835   1.520   1.168
  382   2HB   LEU  45           HB2      LEU  45 -33.538   0.762   2.066
  383    HG   LEU  45           HG       LEU  45 -35.332   0.902   3.623
  384   1HD1  LEU  45          HD11      LEU  45 -37.411  -0.565   2.110
  385   2HD1  LEU  45          HD12      LEU  45 -37.031   1.015   1.450
  386   3HD1  LEU  45          HD13      LEU  45 -37.553   0.866   3.119
  387   1HD2  LEU  45          HD21      LEU  45 -34.193  -1.371   3.381
  388   2HD2  LEU  45          HD22      LEU  45 -35.635  -1.913   2.534
  389   3HD2  LEU  45          HD23      LEU  45 -35.748  -1.377   4.204
  390    H    THR  46           HN       THR  46 -35.918   0.920  -0.849
  391    HA   THR  46           HA       THR  46 -38.439  -0.316  -0.409
  392    HB   THR  46           HB       THR  46 -37.424   1.278  -2.843
  393    HG1  THR  46           HG1      THR  46 -38.566   2.905  -1.575
  394   1HG2  THR  46          HG21      THR  46 -40.187   0.440  -1.829
  395   2HG2  THR  46          HG22      THR  46 -39.588   0.372  -3.483
  396   3HG2  THR  46          HG23      THR  46 -39.990   1.923  -2.756
  397    H    LYS  47           HN       LYS  47 -35.896  -0.964  -2.749
  398    HA   LYS  47           HA       LYS  47 -37.424  -2.716  -4.426
  399   1HB   LYS  47           HB1      LYS  47 -35.104  -3.610  -5.044
  400   2HB   LYS  47           HB2      LYS  47 -34.437  -2.564  -3.797
  401   1HG   LYS  47           HG1      LYS  47 -34.319  -1.012  -5.464
  402   2HG   LYS  47           HG2      LYS  47 -36.044  -0.811  -5.171
  403   1HD   LYS  47           HD1      LYS  47 -36.503  -2.585  -6.872
  404   2HD   LYS  47           HD2      LYS  47 -34.778  -2.678  -7.204
  405   1HE   LYS  47           HE1      LYS  47 -35.701  -1.197  -8.856
  406   2HE   LYS  47           HE2      LYS  47 -34.855  -0.179  -7.697
  407   1HZ   LYS  47           HZ1      LYS  47 -37.188   0.495  -8.406
  408   2HZ   LYS  47           HZ2      LYS  47 -36.830   0.524  -6.746
  409   3HZ   LYS  47           HZ3      LYS  47 -37.731  -0.760  -7.399
  410    H    HIS  48           HN       HIS  48 -35.465  -3.283  -1.530
  411    HA   HIS  48           HA       HIS  48 -35.686  -6.148  -1.613
  412   1HB   HIS  48           HB1      HIS  48 -35.217  -4.191   0.692
  413   2HB   HIS  48           HB2      HIS  48 -33.992  -5.103  -0.184
  414    HD1  HIS  48           HD1      HIS  48 -34.724  -7.840  -0.015
  415    HD2  HIS  48           HD2      HIS  48 -35.774  -5.404   3.096
  416    HE1  HIS  48           HE1      HIS  48 -35.115  -9.338   1.879
  417    H    MET  49           HN       MET  49 -37.764  -3.610  -0.424
  418    HA   MET  49           HA       MET  49 -39.473  -5.428   1.090
  419   1HB   MET  49           HB1      MET  49 -41.027  -3.331   1.000
  420   2HB   MET  49           HB2      MET  49 -39.695  -2.531   0.173
  421   1HG   MET  49           HG1      MET  49 -39.430  -2.031   2.480
  422   2HG   MET  49           HG2      MET  49 -38.210  -3.211   2.082
  423   1HE   MET  49           HE1      MET  49 -37.674  -4.414   4.672
  424   2HE   MET  49           HE2      MET  49 -38.808  -3.587   5.739
  425   3HE   MET  49           HE3      MET  49 -38.019  -2.701   4.434
  426    H    LYS  50           HN       LYS  50 -39.411  -4.085  -2.144
  427    HA   LYS  50           HA       LYS  50 -42.080  -4.673  -2.917
  428   1HB   LYS  50           HB1      LYS  50 -39.552  -4.866  -4.630
  429   2HB   LYS  50           HB2      LYS  50 -40.388  -3.359  -4.272
  430   1HG   LYS  50           HG1      LYS  50 -42.457  -4.290  -5.311
  431   2HG   LYS  50           HG2      LYS  50 -41.568  -5.752  -5.725
  432   1HD   LYS  50           HD1      LYS  50 -41.223  -4.600  -7.688
  433   2HD   LYS  50           HD2      LYS  50 -39.882  -3.926  -6.770
  434   1HE   LYS  50           HE1      LYS  50 -41.421  -2.072  -6.022
  435   2HE   LYS  50           HE2      LYS  50 -42.639  -2.707  -7.121
  436   1HZ   LYS  50           HZ1      LYS  50 -39.925  -2.003  -8.050
  437   2HZ   LYS  50           HZ2      LYS  50 -41.170  -0.849  -7.964
  438   3HZ   LYS  50           HZ3      LYS  50 -41.339  -2.208  -8.969
  439    H    SER  51           HN       SER  51 -39.139  -6.656  -3.233
  440    HA   SER  51           HA       SER  51 -40.150  -8.893  -4.507
  441   1HB   SER  51           HB1      SER  51 -38.467  -9.270  -2.002
  442   2HB   SER  51           HB2      SER  51 -37.774  -8.445  -3.412
  443    HG   SER  51           HG1      SER  51 -38.385 -11.071  -3.069
  444    H    LYS  52           HN       LYS  52 -41.036 -10.893  -3.771
  445    HA   LYS  52           HA       LYS  52 -43.220 -10.532  -1.923
  446   1HB   LYS  52           HB1      LYS  52 -43.309 -13.145  -2.221
  447   2HB   LYS  52           HB2      LYS  52 -42.011 -12.906  -3.385
  448   1HG   LYS  52           HG1      LYS  52 -43.444 -11.257  -4.596
  449   2HG   LYS  52           HG2      LYS  52 -44.751 -11.601  -3.469
  450   1HD   LYS  52           HD1      LYS  52 -45.309 -13.129  -5.104
  451   2HD   LYS  52           HD2      LYS  52 -44.174 -14.125  -4.200
  452   1HE   LYS  52           HE1      LYS  52 -42.343 -13.377  -5.710
  453   2HE   LYS  52           HE2      LYS  52 -43.504 -12.429  -6.629
  454   1HZ   LYS  52           HZ1      LYS  52 -44.084 -15.261  -6.214
  455   2HZ   LYS  52           HZ2      LYS  52 -42.858 -14.858  -7.318
  456   3HZ   LYS  52           HZ3      LYS  52 -44.432 -14.263  -7.543
  457    H    ALA  53           HN       ALA  53 -40.142 -10.577  -1.148
  458    HA   ALA  53           HA       ALA  53 -39.592 -12.603   0.667
  459   1HB   ALA  53           HB1      ALA  53 -37.988 -10.793   0.250
  460   2HB   ALA  53           HB2      ALA  53 -38.341 -10.799   1.975
  461   3HB   ALA  53           HB3      ALA  53 -39.089  -9.598   0.928
  462    H    HIS  54           HN       HIS  54 -40.277  -9.618   2.313
  463    HA   HIS  54           HA       HIS  54 -42.696 -10.747   3.558
  464   1HB   HIS  54           HB1      HIS  54 -41.239 -11.644   5.145
  465   2HB   HIS  54           HB2      HIS  54 -41.448 -10.041   5.837
  466    HD1  HIS  54           HD1      HIS  54 -38.896 -12.208   4.594
  467    HD2  HIS  54           HD2      HIS  54 -39.263  -8.157   5.007
  468    HE1  HIS  54           HE1      HIS  54 -36.613 -11.333   4.510
  469    H    SER  55           HN       SER  55 -43.741  -8.958   2.644
  470    HA   SER  55           HA       SER  55 -43.666  -6.589   4.342
  471   1HB   SER  55           HB1      SER  55 -42.835  -6.409   1.391
  472   2HB   SER  55           HB2      SER  55 -41.821  -6.009   2.792
  473    HG   SER  55           HG1      SER  55 -44.355  -4.866   2.669
  474    H    LYS  56           HN       LYS  56 -45.777  -8.026   4.256
  475    HA   LYS  56           HA       LYS  56 -47.605  -7.929   2.146
  476   1HB   LYS  56           HB1      LYS  56 -49.370  -7.947   3.980
  477   2HB   LYS  56           HB2      LYS  56 -48.095  -7.626   5.148
  478   1HG   LYS  56           HG1      LYS  56 -46.941  -9.718   4.018
  479   2HG   LYS  56           HG2      LYS  56 -48.583 -10.099   3.511
  480   1HD   LYS  56           HD1      LYS  56 -47.696  -9.588   6.371
  481   2HD   LYS  56           HD2      LYS  56 -48.063 -11.166   5.682
  482   1HE   LYS  56           HE1      LYS  56 -50.365 -10.119   5.065
  483   2HE   LYS  56           HE2      LYS  56 -49.947  -8.873   6.233
  484   1HZ   LYS  56           HZ1      LYS  56 -51.013 -10.355   7.559
  485   2HZ   LYS  56           HZ2      LYS  56 -49.425 -10.940   7.714
  486   3HZ   LYS  56           HZ3      LYS  56 -50.515 -11.710   6.664
  487    H    LYS  57           HN       LYS  57 -48.420  -5.868   4.857
  488    HA   LYS  57           HA       LYS  57 -48.083  -3.383   3.492
  489   1HB   LYS  57           HB1      LYS  57 -50.915  -4.524   3.594
  490   2HB   LYS  57           HB2      LYS  57 -49.959  -4.351   2.127
  491   1HG   LYS  57           HG1      LYS  57 -49.765  -1.855   2.759
  492   2HG   LYS  57           HG2      LYS  57 -51.065  -2.167   3.903
  493   1HD   LYS  57           HD1      LYS  57 -51.162  -2.652   0.906
  494   2HD   LYS  57           HD2      LYS  57 -52.008  -1.378   1.779
  495   1HE   LYS  57           HE1      LYS  57 -53.682  -2.999   1.624
  496   2HE   LYS  57           HE2      LYS  57 -52.975  -3.394   3.186
  497   1HZ   LYS  57           HZ1      LYS  57 -53.316  -5.150   1.217
  498   2HZ   LYS  57           HZ2      LYS  57 -52.127  -5.301   2.420
  499   3HZ   LYS  57                 LYS  57 -51.722  -4.657   0.902
   
  Start of MODEL           5
 Raw file had 499 H/Q atoms
  Start of MODEL    5
    1   1H    LYS   1           HT1      LYS   1  -7.472  -4.399  -9.954
    2   2H    LYS   1           HT2      LYS   1  -8.563  -4.470  -8.655
    3   3H    LYS   1           HT3      LYS   1  -7.499  -3.154  -8.799
    4    HA   LYS   1           HA       LYS   1  -8.583  -2.342 -10.715
    5   1HB   LYS   1           HB1      LYS   1 -10.673  -4.515 -10.533
    6   2HB   LYS   1           HB2      LYS   1  -9.155  -4.892 -11.340
    7   1HG   LYS   1           HG1      LYS   1 -10.518  -2.324 -12.050
    8   2HG   LYS   1           HG2      LYS   1 -11.198  -3.819 -12.682
    9   1HD   LYS   1           HD1      LYS   1  -9.079  -4.417 -13.709
   10   2HD   LYS   1           HD2      LYS   1  -8.272  -3.056 -12.939
   11   1HE   LYS   1           HE1      LYS   1 -10.597  -2.751 -14.861
   12   2HE   LYS   1           HE2      LYS   1  -8.912  -2.659 -15.356
   13   1HZ   LYS   1           HZ1      LYS   1  -8.651  -0.868 -13.663
   14   2HZ   LYS   1           HZ2      LYS   1 -10.339  -0.874 -13.475
   15   3HZ   LYS   1           HZ3      LYS   1  -9.654  -0.470 -14.975
   16    OH   TYR   2           OH       TYR   2  -7.623   2.519  -8.747
   17    H    TYR   2           HN       TYR   2 -11.559  -2.732 -10.552
   18    HA   TYR   2           HA       TYR   2 -12.082  -1.766  -7.790
   19   1HB   TYR   2           HB1      TYR   2 -13.301   0.213  -8.689
   20   2HB   TYR   2           HB2      TYR   2 -12.857  -0.254 -10.329
   21    HD1  TYR   2           HD2      TYR   2 -11.442   0.780  -7.047
   22    HD2  TYR   2           HD1      TYR   2 -10.711   0.309 -11.211
   23    HE1  TYR   2           HE2      TYR   2  -9.328   2.001  -6.815
   24    HE2  TYR   2           HE1      TYR   2  -8.590   1.515 -10.975
   25    HH   TYR   2           HH       TYR   2  -7.409   2.912  -9.596
   26    H    ILE   3           HN       ILE   3 -12.844  -4.207  -8.746
   27    HA   ILE   3           HA       ILE   3 -15.764  -3.878  -9.325
   28    HB   ILE   3           HB       ILE   3 -13.838  -6.196  -9.839
   29   1HG1  ILE   3          HG11      ILE   3 -14.232  -3.953 -11.338
   30   2HG1  ILE   3          HG12      ILE   3 -15.481  -5.000 -11.999
   31   1HG2  ILE   3          HG21      ILE   3 -16.866  -5.919 -10.160
   32   2HG2  ILE   3          HG22      ILE   3 -15.995  -7.170  -9.277
   33   3HG2  ILE   3          HG23      ILE   3 -15.943  -7.136 -11.037
   34   1HD1  ILE   3           HD1      ILE   3 -12.509  -5.569 -11.814
   35   2HD1  ILE   3           HD2      ILE   3 -13.485  -5.433 -13.274
   36   3HD1  ILE   3           HD3      ILE   3 -13.697  -6.810 -12.199
   37    H    CYS   4           HN       CYS   4 -16.796  -3.927  -7.367
   38    HA   CYS   4           HA       CYS   4 -15.856  -5.148  -5.032
   39   1HB   CYS   4           HB1      CYS   4 -18.674  -4.701  -6.027
   40   2HB   CYS   4           HB2      CYS   4 -17.792  -3.743  -4.873
   41    H    GLU   5           HN       GLU   5 -15.366  -7.144  -4.620
   42    HA   GLU   5           HA       GLU   5 -15.968  -9.334  -6.319
   43   1HB   GLU   5           HB1      GLU   5 -15.166 -10.697  -4.283
   44   2HB   GLU   5           HB2      GLU   5 -15.022  -9.164  -3.432
   45   1HG   GLU   5           HG1      GLU   5 -12.900  -9.193  -4.310
   46   2HG   GLU   5           HG2      GLU   5 -13.710  -8.553  -5.738
   47    H    GLU   6           HN       GLU   6 -17.867  -7.847  -3.890
   48    HA   GLU   6           HA       GLU   6 -19.462 -10.262  -3.444
   49   1HB   GLU   6           HB1      GLU   6 -20.121  -7.478  -2.432
   50   2HB   GLU   6           HB2      GLU   6 -18.872  -8.446  -1.661
   51   1HG   GLU   6           HG1      GLU   6 -20.532 -10.281  -1.340
   52   2HG   GLU   6           HG2      GLU   6 -21.776  -9.252  -2.045
   53    H    CYS   7           HN       CYS   7 -20.426  -6.919  -4.191
   54    HA   CYS   7           HA       CYS   7 -22.849  -7.854  -5.490
   55   1HB   CYS   7           HB1      CYS   7 -23.334  -5.552  -5.837
   56   2HB   CYS   7           HB2      CYS   7 -21.654  -5.105  -5.845
   57    H    GLY   8           HN       GLY   8 -19.841  -6.349  -6.611
   58   1HA   GLY   8           HA1      GLY   8 -20.388  -7.492  -9.316
   59   2HA   GLY   8           HA2      GLY   8 -18.786  -7.125  -8.690
   60    H    ILE   9           HN       ILE   9 -20.187  -4.573  -7.555
   61    HA   ILE   9           HA       ILE   9 -20.987  -2.995  -9.760
   62    HB   ILE   9           HB       ILE   9 -21.130  -2.517  -7.181
   63   1HG1  ILE   9          HG11      ILE   9 -21.927  -0.997  -9.000
   64   2HG1  ILE   9          HG12      ILE   9 -20.330  -0.266  -9.063
   65   1HG2  ILE   9          HG21      ILE   9 -19.290  -1.259  -6.236
   66   2HG2  ILE   9          HG22      ILE   9 -18.521  -1.035  -7.794
   67   3HG2  ILE   9          HG23      ILE   9 -18.526  -2.617  -7.027
   68   1HD1  ILE   9           HD1      ILE   9 -22.098   0.920  -7.603
   69   2HD1  ILE   9           HD2      ILE   9 -20.533   0.618  -6.857
   70   3HD1  ILE   9           HD3      ILE   9 -21.902  -0.423  -6.482
   71    NH1  ARG  10           NH1      ARG  10 -18.292  -3.982 -17.241
   72    NH2  ARG  10           NH2      ARG  10 -17.899  -1.998 -18.304
   73    H    ARG  10           HN       ARG  10 -19.878  -2.103 -11.380
   74    HA   ARG  10           HA       ARG  10 -16.900  -2.247 -11.245
   75   1HB   ARG  10           HB1      ARG  10 -18.586  -1.697 -13.718
   76   2HB   ARG  10           HB2      ARG  10 -18.313  -3.339 -13.146
   77   1HG   ARG  10           HG1      ARG  10 -15.826  -2.859 -13.215
   78   2HG   ARG  10           HG2      ARG  10 -16.204  -1.327 -13.994
   79   1HD   ARG  10           HD1      ARG  10 -17.122  -4.018 -15.054
   80   2HD   ARG  10           HD2      ARG  10 -15.662  -3.198 -15.607
   81    HE   ARG  10           HE       ARG  10 -17.683  -1.296 -15.881
   82   1HH1  ARG  10          HH11      ARG  10 -18.271  -4.521 -16.399
   83   2HH1  ARG  10          HH12      ARG  10 -18.623  -4.395 -18.090
   84   1HH2  ARG  10          HH21      ARG  10 -17.584  -1.051 -18.260
   85   2HH2  ARG  10          HH22      ARG  10 -18.222  -2.378 -19.172
   86    H    ABA  11           HN       ABU  11 -16.178  -0.392 -10.380
   87    HA   ABA  11           HA       ABU  11 -17.186   2.173 -11.570
   88   1HB   ABA  11           HB1      ABU  11 -16.394   3.217  -9.455
   89   2HB   ABA  11           HB2      ABU  11 -15.845   1.662  -8.875
   90   1HG   ABA  11           HG1      ABU  11 -18.667   2.625  -9.299
   91   2HG   ABA  11           HG2      ABU  11 -17.970   1.851  -7.879
   92   3HG   ABA  11           HG3      ABU  11 -18.311   0.900  -9.322
   93    H    LYS  12           HN       LYS  12 -15.823   2.814 -13.079
   94    HA   LYS  12           HA       LYS  12 -13.094   2.054 -13.256
   95   1HB   LYS  12           HB1      LYS  12 -12.992   3.701 -15.079
   96   2HB   LYS  12           HB2      LYS  12 -14.444   4.498 -14.484
   97   1HG   LYS  12           HG1      LYS  12 -15.733   2.405 -14.879
   98   2HG   LYS  12           HG2      LYS  12 -14.280   1.643 -15.513
   99   1HD   LYS  12           HD1      LYS  12 -14.190   3.140 -17.375
  100   2HD   LYS  12           HD2      LYS  12 -15.370   4.227 -16.650
  101   1HE   LYS  12           HE1      LYS  12 -15.905   1.387 -17.586
  102   2HE   LYS  12           HE2      LYS  12 -16.434   2.855 -18.399
  103   1HZ   LYS  12           HZ1      LYS  12 -18.279   2.494 -17.205
  104   2HZ   LYS  12           HZ2      LYS  12 -17.410   3.266 -15.966
  105   3HZ   LYS  12           HZ3      LYS  12 -17.484   1.570 -16.022
  106    H    LYS  13           HN       LYS  13 -14.232   3.779 -10.826
  107    HA   LYS  13           HA       LYS  13 -11.725   5.345 -10.634
  108   1HB   LYS  13           HB1      LYS  13 -13.269   7.181  -9.532
  109   2HB   LYS  13           HB2      LYS  13 -14.568   6.351 -10.387
  110   1HG   LYS  13           HG1      LYS  13 -13.378   6.657 -12.524
  111   2HG   LYS  13           HG2      LYS  13 -12.043   7.438 -11.685
  112   1HD   LYS  13           HD1      LYS  13 -13.172   9.409 -11.475
  113   2HD   LYS  13           HD2      LYS  13 -14.684   8.604 -11.074
  114   1HE   LYS  13           HE1      LYS  13 -14.569   9.879 -13.329
  115   2HE   LYS  13           HE2      LYS  13 -15.237   8.251 -13.350
  116   1HZ   LYS  13           HZ1      LYS  13 -13.187   9.167 -14.883
  117   2HZ   LYS  13           HZ2      LYS  13 -13.597   7.537 -14.633
  118   3HZ   LYS  13           HZ3      LYS  13 -12.400   8.268 -13.677
  119    HA   PRO  14           HA       PRO  14 -11.607   3.749  -6.492
  120   1HB   PRO  14           HB1      PRO  14  -9.572   4.672  -5.903
  121   2HB   PRO  14           HB2      PRO  14 -10.458   6.038  -5.225
  122   1HG   PRO  14           HG1      PRO  14  -8.720   6.142  -7.453
  123   2HG   PRO  14           HG2      PRO  14  -9.864   7.401  -6.984
  124   1HD   PRO  14           HD1      PRO  14 -10.990   6.969  -8.937
  125   2HD   PRO  14           HD2      PRO  14 -10.003   5.522  -9.225
  126    H    SER  15           HN       SER  15 -12.002   7.252  -6.015
  127    HA   SER  15           HA       SER  15 -13.517   7.433  -3.794
  128   1HB   SER  15           HB1      SER  15 -12.988   9.318  -5.489
  129   2HB   SER  15           HB2      SER  15 -14.603   9.430  -4.760
  130    HG   SER  15           HG1      SER  15 -15.418   9.058  -6.654
  131    H    MET  16           HN       MET  16 -14.845   6.463  -6.928
  132    HA   MET  16           HA       MET  16 -17.532   6.156  -5.932
  133   1HB   MET  16           HB1      MET  16 -17.644   4.632  -8.086
  134   2HB   MET  16           HB2      MET  16 -16.007   5.216  -8.377
  135   1HG   MET  16           HG1      MET  16 -16.793   7.530  -8.247
  136   2HG   MET  16           HG2      MET  16 -17.591   6.650  -9.523
  137   1HE   MET  16           HE1      MET  16 -19.955   6.730  -9.997
  138   2HE   MET  16           HE2      MET  16 -19.271   8.354  -9.968
  139   3HE   MET  16           HE3      MET  16 -20.865   8.056  -9.274
  140    H    LEU  17           HN       LEU  17 -14.882   3.837  -6.552
  141    HA   LEU  17           HA       LEU  17 -16.415   1.605  -5.522
  142   1HB   LEU  17           HB1      LEU  17 -13.379   1.730  -5.657
  143   2HB   LEU  17           HB2      LEU  17 -14.322   1.602  -7.123
  144    HG   LEU  17           HG       LEU  17 -13.531  -0.627  -6.269
  145   1HD1  LEU  17          HD11      LEU  17 -15.509  -0.294  -4.007
  146   2HD1  LEU  17          HD12      LEU  17 -13.800   0.073  -3.820
  147   3HD1  LEU  17          HD13      LEU  17 -14.311  -1.555  -4.233
  148   1HD2  LEU  17          HD21      LEU  17 -16.534  -0.644  -5.997
  149   2HD2  LEU  17          HD22      LEU  17 -15.483  -1.783  -6.821
  150   3HD2  LEU  17          HD23      LEU  17 -15.799  -0.210  -7.527
  151    H    LYS  18           HN       LYS  18 -13.502   3.269  -4.301
  152    HA   LYS  18           HA       LYS  18 -13.176   2.216  -1.823
  153   1HB   LYS  18           HB1      LYS  18 -12.592   4.567  -1.018
  154   2HB   LYS  18           HB2      LYS  18 -13.264   5.191  -2.519
  155   1HG   LYS  18           HG1      LYS  18 -11.541   4.293  -3.820
  156   2HG   LYS  18           HG2      LYS  18 -11.192   3.018  -2.671
  157   1HD   LYS  18           HD1      LYS  18  -9.383   4.651  -2.610
  158   2HD   LYS  18           HD2      LYS  18 -10.272   4.732  -1.097
  159   1HE   LYS  18           HE1      LYS  18 -11.433   6.506  -3.105
  160   2HE   LYS  18           HE2      LYS  18  -9.736   6.875  -2.828
  161   1HZ   LYS  18           HZ1      LYS  18 -11.961   7.403  -1.173
  162   2HZ   LYS  18           HZ2      LYS  18 -10.350   7.910  -0.995
  163   3HZ   LYS  18           HZ3      LYS  18 -10.851   6.425  -0.339
  164    H    LYS  19           HN       LYS  19 -15.662   4.639  -2.588
  165    HA   LYS  19           HA       LYS  19 -16.726   4.638   0.072
  166   1HB   LYS  19           HB1      LYS  19 -18.798   5.604  -1.208
  167   2HB   LYS  19           HB2      LYS  19 -17.793   5.496  -2.648
  168   1HG   LYS  19           HG1      LYS  19 -16.162   7.009  -1.726
  169   2HG   LYS  19           HG2      LYS  19 -16.909   6.945  -0.132
  170   1HD   LYS  19           HD1      LYS  19 -18.803   8.182  -0.839
  171   2HD   LYS  19           HD2      LYS  19 -18.469   7.887  -2.541
  172   1HE   LYS  19           HE1      LYS  19 -16.288   9.256  -1.090
  173   2HE   LYS  19           HE2      LYS  19 -17.776  10.184  -1.207
  174   1HZ   LYS  19           HZ1      LYS  19 -16.497   8.877  -3.534
  175   2HZ   LYS  19           HZ2      LYS  19 -16.183  10.482  -3.077
  176   3HZ   LYS  19           HZ3      LYS  19 -17.750  10.022  -3.545
  177    H    HIS  20           HN       HIS  20 -17.519   2.922  -2.900
  178    HA   HIS  20           HA       HIS  20 -19.886   1.647  -1.990
  179   1HB   HIS  20           HB1      HIS  20 -17.758   0.647  -3.930
  180   2HB   HIS  20           HB2      HIS  20 -19.172   1.597  -4.376
  181    HD1  HIS  20           HD1      HIS  20 -21.117   0.142  -4.935
  182    HD2  HIS  20           HD2      HIS  20 -18.413  -1.905  -2.693
  183    HE1  HIS  20           HE1      HIS  20 -21.984  -2.143  -4.793
  184    H    ILE  21           HN       ILE  21 -16.526   0.416  -2.039
  185    HA   ILE  21           HA       ILE  21 -17.131  -2.026  -0.751
  186    HB   ILE  21           HB       ILE  21 -14.836  -1.016  -1.776
  187   1HG1  ILE  21          HG11      ILE  21 -15.019  -3.047   0.484
  188   2HG1  ILE  21          HG12      ILE  21 -13.603  -2.833  -0.536
  189   1HG2  ILE  21          HG21      ILE  21 -13.269  -0.326  -0.081
  190   2HG2  ILE  21          HG22      ILE  21 -14.309  -0.872   1.229
  191   3HG2  ILE  21          HG23      ILE  21 -14.728   0.557   0.304
  192   1HD1  ILE  21           HD1      ILE  21 -16.075  -4.267  -1.106
  193   2HD1  ILE  21           HD2      ILE  21 -14.548  -4.297  -1.984
  194   3HD1  ILE  21           HD3      ILE  21 -15.748  -3.061  -2.345
  195    NH1  ARG  22           NH2      ARG  22 -16.321   6.504   3.957
  196    NH2  ARG  22           NH1      ARG  22 -14.505   6.326   5.332
  197    H    ARG  22           HN       ARG  22 -16.748   1.196   0.536
  198    HA   ARG  22           HA       ARG  22 -16.609   0.298   3.317
  199   1HB   ARG  22           HB1      ARG  22 -17.250   2.830   3.655
  200   2HB   ARG  22           HB2      ARG  22 -17.046   2.962   1.913
  201   1HG   ARG  22           HG1      ARG  22 -14.752   2.042   2.121
  202   2HG   ARG  22           HG2      ARG  22 -14.958   1.941   3.866
  203   1HD   ARG  22           HD1      ARG  22 -15.203   4.514   2.270
  204   2HD   ARG  22           HD2      ARG  22 -13.750   4.022   3.137
  205    HE   ARG  22           HE       ARG  22 -15.754   3.898   5.056
  206   1HH1  ARG  22          HH21      ARG  22 -16.998   6.058   3.368
  207   2HH1  ARG  22          HH22      ARG  22 -16.348   7.494   4.086
  208   1HH2  ARG  22          HH11      ARG  22 -13.819   5.748   5.773
  209   2HH2  ARG  22          HH12      ARG  22 -14.500   7.315   5.485
  210    H    THR  23           HN       THR  23 -19.108   0.703   1.018
  211    HA   THR  23           HA       THR  23 -21.207   1.300   2.926
  212    HB   THR  23           HB       THR  23 -21.377   0.025   0.124
  213    HG1  THR  23           HG1      THR  23 -21.064   2.569   1.221
  214   1HG2  THR  23          HG21      THR  23 -23.636   1.505   0.417
  215   2HG2  THR  23          HG22      THR  23 -23.388   1.123   2.117
  216   3HG2  THR  23          HG23      THR  23 -23.606  -0.172   0.947
  217    H    HIS  24           HN       HIS  24 -19.390  -1.482   2.357
  218    HA   HIS  24           HA       HIS  24 -21.587  -3.335   3.090
  219   1HB   HIS  24           HB1      HIS  24 -19.554  -5.006   3.056
  220   2HB   HIS  24           HB2      HIS  24 -18.646  -3.666   2.364
  221    HD1  HIS  24           HD1      HIS  24 -21.799  -5.552   1.578
  222    HD2  HIS  24           HD2      HIS  24 -18.915  -3.405  -0.348
  223    HE1  HIS  24           HE1      HIS  24 -22.286  -5.792  -0.831
  224    H    THR  25           HN       THR  25 -19.972  -1.192   4.816
  225    HA   THR  25           HA       THR  25 -19.230  -3.002   7.049
  226    HB   THR  25           HB       THR  25 -18.430  -0.709   8.025
  227    HG1  THR  25           HG1      THR  25 -18.303   0.572   5.811
  228   1HG2  THR  25          HG21      THR  25 -17.340  -1.132   5.221
  229   2HG2  THR  25          HG22      THR  25 -16.999  -2.330   6.465
  230   3HG2  THR  25          HG23      THR  25 -16.445  -0.671   6.664
  231    H    ASP  26           HN       ASP  26 -20.246   0.185   7.747
  232    HA   ASP  26           HA       ASP  26 -22.984  -0.548   8.437
  233   1HB   ASP  26           HB1      ASP  26 -22.688  -0.149  10.877
  234   2HB   ASP  26           HB2      ASP  26 -20.969   0.151  10.632
  235    H    VAL  27           HN       VAL  27 -21.473   1.372   6.886
  236    HA   VAL  27           HA       VAL  27 -22.158   3.924   8.247
  237    HB   VAL  27           HB       VAL  27 -19.881   3.714   7.327
  238   1HG1  VAL  27          HG11      VAL  27 -19.525   3.343   4.913
  239   2HG1  VAL  27          HG12      VAL  27 -21.261   3.166   4.686
  240   3HG1  VAL  27          HG13      VAL  27 -20.375   1.989   5.642
  241   1HG2  VAL  27          HG21      VAL  27 -19.890   5.858   6.575
  242   2HG2  VAL  27          HG22      VAL  27 -21.640   5.794   6.763
  243   3HG2  VAL  27          HG23      VAL  27 -20.910   5.447   5.199
  244    NH1  ARG  28           NH1      ARG  28 -26.285  -2.298   2.870
  245    NH2  ARG  28           NH2      ARG  28 -25.738  -1.624   0.756
  246    H    ARG  28           HN       ARG  28 -24.321   2.483   7.458
  247    HA   ARG  28           HA       ARG  28 -25.318   3.921   5.029
  248   1HB   ARG  28           HB1      ARG  28 -26.968   1.933   4.986
  249   2HB   ARG  28           HB2      ARG  28 -25.936   1.187   6.199
  250   1HG   ARG  28           HG1      ARG  28 -23.994   1.524   4.604
  251   2HG   ARG  28           HG2      ARG  28 -25.168   1.986   3.384
  252   1HD   ARG  28           HD1      ARG  28 -26.200  -0.380   4.472
  253   2HD   ARG  28           HD2      ARG  28 -24.468  -0.677   4.336
  254    HE   ARG  28           HE       ARG  28 -25.243   0.493   1.900
  255   1HH1  ARG  28          HH11      ARG  28 -26.336  -2.094   3.847
  256   2HH1  ARG  28          HH12      ARG  28 -26.587  -3.188   2.528
  257   1HH2  ARG  28          HH21      ARG  28 -25.380  -0.913   0.150
  258   2HH2  ARG  28          HH22      ARG  28 -26.033  -2.502   0.379
  259    HA   PRO  29           HA       PRO  29 -27.719   5.421   8.706
  260   1HB   PRO  29           HB1      PRO  29 -27.195   7.652   8.715
  261   2HB   PRO  29           HB2      PRO  29 -28.161   7.901   7.261
  262   1HG   PRO  29           HG1      PRO  29 -25.258   7.808   7.495
  263   2HG   PRO  29           HG2      PRO  29 -26.223   8.186   6.068
  264   1HD   PRO  29           HD1      PRO  29 -25.857   6.114   5.201
  265   2HD   PRO  29           HD2      PRO  29 -24.728   5.800   6.531
  266    OH   TYR  30           OH       TYR  30 -28.985  10.607   2.511
  267    H    TYR  30           HN       TYR  30 -28.463   5.095   5.350
  268    HA   TYR  30           HA       TYR  30 -31.290   5.846   5.723
  269   1HB   TYR  30           HB1      TYR  30 -31.480   5.073   3.320
  270   2HB   TYR  30           HB2      TYR  30 -29.794   4.586   3.373
  271    HD1  TYR  30           HD1      TYR  30 -31.940   7.567   4.100
  272    HD2  TYR  30           HD2      TYR  30 -28.176   6.159   2.705
  273    HE1  TYR  30           HE1      TYR  30 -31.283   9.861   3.547
  274    HE2  TYR  30           HE2      TYR  30 -27.516   8.455   2.164
  275    HH   TYR  30           HH       TYR  30 -29.733  11.037   2.093
  276    H    HIS  31           HN       HIS  31 -31.935   4.337   7.330
  277    HA   HIS  31           HA       HIS  31 -31.841   1.462   6.595
  278   1HB   HIS  31           HB1      HIS  31 -32.585   1.076   8.898
  279   2HB   HIS  31           HB2      HIS  31 -33.010   2.774   9.095
  280    HD1  HIS  31           HD1      HIS  31 -30.068   0.602   8.925
  281    HD2  HIS  31           HD2      HIS  31 -30.868   4.521   9.596
  282    HE1  HIS  31           HE1      HIS  31 -27.984   1.530   9.753
  283    H    CYS  32           HN       CYS  32 -33.642   0.216   6.183
  284    HA   CYS  32           HA       CYS  32 -35.922   1.493   5.036
  285   1HB   CYS  32           HB1      CYS  32 -35.264  -1.314   5.952
  286   2HB   CYS  32           HB2      CYS  32 -35.485  -0.732   4.324
  287    H    THR  33           HN       THR  33 -38.110   1.516   5.785
  288    HA   THR  33           HA       THR  33 -38.269   2.098   8.655
  289    HB   THR  33           HB       THR  33 -40.539   2.064   6.576
  290    HG1  THR  33           HG1      THR  33 -39.355   4.420   7.282
  291   1HG2  THR  33          HG21      THR  33 -41.281   4.021   8.100
  292   2HG2  THR  33          HG22      THR  33 -40.029   3.521   9.232
  293   3HG2  THR  33          HG23      THR  33 -41.378   2.446   8.878
  294    OH   TYR  34           OH       TYR  34 -44.433   0.879   5.772
  295    H    TYR  34           HN       TYR  34 -38.023  -0.701   7.318
  296    HA   TYR  34           HA       TYR  34 -39.927  -1.986   9.199
  297   1HB   TYR  34           HB1      TYR  34 -40.620  -3.614   7.449
  298   2HB   TYR  34           HB2      TYR  34 -39.580  -2.823   6.274
  299    HD1  TYR  34           HD2      TYR  34 -40.105  -0.435   5.589
  300    HD2  TYR  34           HD1      TYR  34 -42.801  -2.751   7.926
  301    HE1  TYR  34           HE2      TYR  34 -41.937   1.079   4.980
  302    HE2  TYR  34           HE1      TYR  34 -44.629  -1.237   7.314
  303    HH   TYR  34           HH       TYR  34 -44.488   1.560   6.447
  304    H    CYS  35           HN       CYS  35 -37.679  -3.007   6.642
  305    HA   CYS  35           HA       CYS  35 -36.662  -5.241   8.112
  306   1HB   CYS  35           HB1      CYS  35 -34.917  -5.303   6.404
  307   2HB   CYS  35           HB2      CYS  35 -35.200  -3.642   5.984
  308    H    ASN  36           HN       ASN  36 -33.989  -5.131   7.941
  309    HA   ASN  36           HA       ASN  36 -33.222  -2.978   9.870
  310   1HB   ASN  36           HB1      ASN  36 -32.004  -5.775   9.690
  311   2HB   ASN  36           HB2      ASN  36 -33.364  -5.418  10.752
  312   1HD2  ASN  36          HD21      ASN  36 -31.544  -2.615  10.522
  313   2HD2  ASN  36          HD22      ASN  36 -30.571  -2.812  11.900
  314    H    PHE  37           HN       PHE  37 -32.965  -3.886   6.809
  315    HA   PHE  37           HA       PHE  37 -30.068  -3.692   6.444
  316   1HB   PHE  37           HB1      PHE  37 -32.059  -3.318   4.202
  317   2HB   PHE  37           HB2      PHE  37 -31.950  -4.903   4.965
  318    HD1  PHE  37           HD2      PHE  37 -29.645  -6.017   5.096
  319    HD2  PHE  37           HD1      PHE  37 -30.405  -2.613   2.654
  320    HE1  PHE  37           HE2      PHE  37 -27.619  -6.497   3.793
  321    HE2  PHE  37           HE1      PHE  37 -28.376  -3.095   1.355
  322    HZ   PHE  37           HZ       PHE  37 -26.982  -5.037   1.925
  323    H    SER  38           HN       SER  38 -29.239  -2.037   4.852
  324    HA   SER  38           HA       SER  38 -30.734   0.474   4.797
  325   1HB   SER  38           HB1      SER  38 -28.057   0.314   6.264
  326   2HB   SER  38           HB2      SER  38 -29.626   0.424   7.077
  327    HG   SER  38           HG1      SER  38 -29.132   2.504   6.781
  328    H    PHE  39           HN       PHE  39 -29.366   2.231   3.774
  329    HA   PHE  39           HA       PHE  39 -27.379   1.073   1.879
  330   1HB   PHE  39           HB1      PHE  39 -28.528   2.079   0.022
  331   2HB   PHE  39           HB2      PHE  39 -29.506   3.092   1.087
  332    HD1  PHE  39           HD2      PHE  39 -31.206   1.979   2.605
  333    HD2  PHE  39           HD1      PHE  39 -29.241  -0.152  -0.519
  334    HE1  PHE  39           HE2      PHE  39 -32.868   0.183   2.784
  335    HE2  PHE  39           HE1      PHE  39 -30.914  -1.943  -0.338
  336    HZ   PHE  39           HZ       PHE  39 -32.721  -1.781   1.321
  337    H    LYS  40           HN       LYS  40 -25.965   2.639   0.930
  338    HA   LYS  40           HA       LYS  40 -25.241   4.735   2.831
  339   1HB   LYS  40           HB1      LYS  40 -24.107   3.811   0.149
  340   2HB   LYS  40           HB2      LYS  40 -23.476   3.435   1.738
  341   1HG   LYS  40           HG1      LYS  40 -23.513   6.191   0.447
  342   2HG   LYS  40           HG2      LYS  40 -22.102   5.182   0.709
  343   1HD   LYS  40           HD1      LYS  40 -22.978   5.221   3.226
  344   2HD   LYS  40           HD2      LYS  40 -23.699   6.736   2.701
  345   1HE   LYS  40           HE1      LYS  40 -20.775   5.961   2.672
  346   2HE   LYS  40           HE2      LYS  40 -21.525   7.313   3.509
  347   1HZ   LYS  40           HZ1      LYS  40 -21.808   8.482   1.556
  348   2HZ   LYS  40           HZ2      LYS  40 -21.662   7.103   0.575
  349   3HZ   LYS  40           HZ3      LYS  40 -20.290   7.753   1.333
  350    H    THR  41           HN       THR  41 -27.189   4.538   0.036
  351    HA   THR  41           HA       THR  41 -27.187   7.529  -0.159
  352    HB   THR  41           HB       THR  41 -27.447   7.346  -2.571
  353    HG1  THR  41           HG1      THR  41 -28.775   5.775  -3.036
  354   1HG2  THR  41          HG21      THR  41 -25.134   6.480  -1.658
  355   2HG2  THR  41          HG22      THR  41 -25.574   5.941  -3.276
  356   3HG2  THR  41          HG23      THR  41 -25.784   4.860  -1.900
  357    H    LYS  42           HN       LYS  42 -29.172   8.497  -0.783
  358    HA   LYS  42           HA       LYS  42 -31.440   7.254   0.499
  359   1HB   LYS  42           HB1      LYS  42 -31.539   9.721  -1.270
  360   2HB   LYS  42           HB2      LYS  42 -30.818   9.796   0.334
  361   1HG   LYS  42           HG1      LYS  42 -32.841   9.482   1.410
  362   2HG   LYS  42           HG2      LYS  42 -33.504   8.505   0.105
  363   1HD   LYS  42           HD1      LYS  42 -34.621  10.710   0.212
  364   2HD   LYS  42           HD2      LYS  42 -33.736  10.529  -1.298
  365   1HE   LYS  42           HE1      LYS  42 -31.944  11.911  -0.529
  366   2HE   LYS  42           HE2      LYS  42 -32.500  11.833   1.138
  367   1HZ   LYS  42           HZ1      LYS  42 -33.752  13.266  -1.127
  368   2HZ   LYS  42           HZ2      LYS  42 -33.141  13.919   0.317
  369   3HZ   LYS  42           HZ3      LYS  42 -34.561  12.987   0.340
  370    H    GLY  43           HN       GLY  43 -30.162   7.256  -2.651
  371   1HA   GLY  43           HA1      GLY  43 -31.028   6.504  -4.706
  372   2HA   GLY  43           HA2      GLY  43 -32.629   6.951  -4.123
  373    H    ASN  44           HN       ASN  44 -30.115   4.490  -3.599
  374    HA   ASN  44           HA       ASN  44 -31.596   2.244  -4.230
  375   1HB   ASN  44           HB1      ASN  44 -30.139   1.131  -2.327
  376   2HB   ASN  44           HB2      ASN  44 -29.437   2.737  -2.149
  377   1HD2  ASN  44          HD21      ASN  44 -27.591   2.995  -3.380
  378   2HD2  ASN  44          HD22      ASN  44 -27.289   2.243  -4.871
  379    H    LEU  45           HN       LEU  45 -31.739   4.147  -1.298
  380    HA   LEU  45           HA       LEU  45 -33.213   2.309   0.294
  381   1HB   LEU  45           HB1      LEU  45 -33.196   5.375   0.222
  382   2HB   LEU  45           HB2      LEU  45 -32.191   4.359   1.229
  383    HG   LEU  45           HG       LEU  45 -33.912   5.095   2.692
  384   1HD1  LEU  45          HD11      LEU  45 -35.439   5.566   0.448
  385   2HD1  LEU  45          HD12      LEU  45 -36.041   5.653   2.094
  386   3HD1  LEU  45          HD13      LEU  45 -36.275   4.194   1.147
  387   1HD2  LEU  45          HD21      LEU  45 -34.988   3.077   3.378
  388   2HD2  LEU  45          HD22      LEU  45 -33.479   2.577   2.624
  389   3HD2  LEU  45          HD23      LEU  45 -34.994   2.423   1.747
  390    H    THR  46           HN       THR  46 -34.343   4.990  -1.754
  391    HA   THR  46           HA       THR  46 -37.126   4.465  -1.390
  392    HB   THR  46           HB       THR  46 -35.687   5.711  -3.814
  393    HG1  THR  46           HG1      THR  46 -35.482   6.434  -1.456
  394   1HG2  THR  46          HG21      THR  46 -38.061   5.438  -4.360
  395   2HG2  THR  46          HG22      THR  46 -37.923   7.080  -3.741
  396   3HG2  THR  46          HG23      THR  46 -38.546   5.799  -2.707
  397    H    LYS  47           HN       LYS  47 -34.739   3.164  -3.610
  398    HA   LYS  47           HA       LYS  47 -36.573   1.884  -5.394
  399   1HB   LYS  47           HB1      LYS  47 -33.939   0.575  -4.755
  400   2HB   LYS  47           HB2      LYS  47 -33.880   2.220  -5.380
  401   1HG   LYS  47           HG1      LYS  47 -35.646   0.224  -6.761
  402   2HG   LYS  47           HG2      LYS  47 -33.910   0.149  -7.042
  403   1HD   LYS  47           HD1      LYS  47 -33.854   2.407  -7.860
  404   2HD   LYS  47           HD2      LYS  47 -35.492   2.721  -7.298
  405   1HE   LYS  47           HE1      LYS  47 -35.526   2.318  -9.714
  406   2HE   LYS  47           HE2      LYS  47 -36.336   0.992  -8.889
  407   1HZ   LYS  47           HZ1      LYS  47 -33.478   0.900  -9.649
  408   2HZ   LYS  47           HZ2      LYS  47 -34.722   0.345 -10.663
  409   3HZ   LYS  47           HZ3      LYS  47 -34.468  -0.387  -9.151
  410    H    HIS  48           HN       HIS  48 -35.247   0.948  -2.284
  411    HA   HIS  48           HA       HIS  48 -36.192  -1.801  -2.484
  412   1HB   HIS  48           HB1      HIS  48 -35.149  -0.065  -0.204
  413   2HB   HIS  48           HB2      HIS  48 -34.338  -1.418  -0.986
  414    HD1  HIS  48           HD1      HIS  48 -35.751  -3.739  -0.594
  415    HD2  HIS  48           HD2      HIS  48 -36.472  -0.762   2.113
  416    HE1  HIS  48           HE1      HIS  48 -36.765  -4.848   1.337
  417    H    MET  49           HN       MET  49 -37.424   1.218  -1.187
  418    HA   MET  49           HA       MET  49 -39.634  -0.006   0.235
  419   1HB   MET  49           HB1      MET  49 -40.523   2.390   0.213
  420   2HB   MET  49           HB2      MET  49 -39.149   2.833  -0.794
  421   1HG   MET  49           HG1      MET  49 -37.595   2.154   0.921
  422   2HG   MET  49           HG2      MET  49 -38.876   1.474   1.889
  423   1HE   MET  49           HE1      MET  49 -39.649   2.773   4.101
  424   2HE   MET  49           HE2      MET  49 -40.765   2.686   2.739
  425   3HE   MET  49           HE3      MET  49 -40.585   4.193   3.638
  426    H    LYS  50           HN       LYS  50 -39.133   1.206  -3.014
  427    HA   LYS  50           HA       LYS  50 -41.866   1.326  -3.821
  428   1HB   LYS  50           HB1      LYS  50 -39.702   0.404  -5.722
  429   2HB   LYS  50           HB2      LYS  50 -39.577   2.018  -5.031
  430   1HG   LYS  50           HG1      LYS  50 -41.885   2.514  -5.835
  431   2HG   LYS  50           HG2      LYS  50 -41.951   0.919  -6.576
  432   1HD   LYS  50           HD1      LYS  50 -41.194   2.130  -8.396
  433   2HD   LYS  50           HD2      LYS  50 -39.643   1.748  -7.657
  434   1HE   LYS  50           HE1      LYS  50 -39.759   4.149  -8.176
  435   2HE   LYS  50           HE2      LYS  50 -39.709   3.911  -6.434
  436   1HZ   LYS  50           HZ1      LYS  50 -41.620   5.272  -7.901
  437   2HZ   LYS  50           HZ2      LYS  50 -41.636   4.937  -6.236
  438   3HZ   LYS  50           HZ3      LYS  50 -42.382   3.867  -7.324
  439    H    SER  51           HN       SER  51 -39.517  -1.324  -3.874
  440    HA   SER  51           HA       SER  51 -40.869  -3.258  -5.320
  441   1HB   SER  51           HB1      SER  51 -39.303  -3.492  -2.700
  442   2HB   SER  51           HB2      SER  51 -38.739  -3.870  -4.340
  443    HG   SER  51           HG1      SER  51 -40.883  -5.247  -4.129
  444    H    LYS  52           HN       LYS  52 -42.303  -4.981  -4.720
  445    HA   LYS  52           HA       LYS  52 -44.565  -4.027  -3.183
  446   1HB   LYS  52           HB1      LYS  52 -44.848  -5.536  -5.134
  447   2HB   LYS  52           HB2      LYS  52 -45.490  -6.313  -3.692
  448   1HG   LYS  52           HG1      LYS  52 -43.456  -7.629  -3.432
  449   2HG   LYS  52           HG2      LYS  52 -42.679  -6.757  -4.748
  450   1HD   LYS  52           HD1      LYS  52 -43.533  -8.933  -5.542
  451   2HD   LYS  52           HD2      LYS  52 -44.392  -7.610  -6.324
  452   1HE   LYS  52           HE1      LYS  52 -45.497  -8.722  -3.764
  453   2HE   LYS  52           HE2      LYS  52 -45.728  -9.639  -5.246
  454   1HZ   LYS  52           HZ1      LYS  52 -47.476  -8.327  -5.549
  455   2HZ   LYS  52           HZ2      LYS  52 -46.365  -7.120  -5.986
  456   3HZ   LYS  52           HZ3      LYS  52 -46.959  -7.191  -4.397
  457    H    ALA  53           HN       ALA  53 -41.713  -5.006  -2.076
  458    HA   ALA  53           HA       ALA  53 -42.048  -7.073  -0.252
  459   1HB   ALA  53           HB1      ALA  53 -40.637  -4.388   0.146
  460   2HB   ALA  53           HB2      ALA  53 -39.912  -5.865  -0.479
  461   3HB   ALA  53           HB3      ALA  53 -40.413  -5.777   1.205
  462    H    HIS  54           HN       HIS  54 -42.008  -3.888   1.215
  463    HA   HIS  54           HA       HIS  54 -44.700  -4.349   2.352
  464   1HB   HIS  54           HB1      HIS  54 -43.560  -5.236   4.171
  465   2HB   HIS  54           HB2      HIS  54 -43.435  -3.535   4.602
  466    HD1  HIS  54           HD1      HIS  54 -41.410  -6.352   3.536
  467    HD2  HIS  54           HD2      HIS  54 -40.824  -2.338   4.042
  468    HE1  HIS  54           HE1      HIS  54 -38.987  -6.048   3.586
  469    H    SER  55           HN       SER  55 -45.303  -2.579   1.084
  470    HA   SER  55           HA       SER  55 -44.783  -0.007   2.425
  471   1HB   SER  55           HB1      SER  55 -43.079   0.266   0.777
  472   2HB   SER  55           HB2      SER  55 -44.477   0.910  -0.105
  473    HG   SER  55           HG1      SER  55 -43.260  -1.618  -0.264
  474    H    LYS  56           HN       LYS  56 -46.485  -1.868  -0.018
  475    HA   LYS  56           HA       LYS  56 -48.885  -0.165   0.471
  476   1HB   LYS  56           HB1      LYS  56 -49.361  -0.566  -2.070
  477   2HB   LYS  56           HB2      LYS  56 -47.663  -1.007  -2.191
  478   1HG   LYS  56           HG1      LYS  56 -47.361   1.292  -0.851
  479   2HG   LYS  56           HG2      LYS  56 -48.896   1.658  -1.627
  480   1HD   LYS  56           HD1      LYS  56 -47.744   0.791  -3.800
  481   2HD   LYS  56           HD2      LYS  56 -46.242   1.023  -2.913
  482   1HE   LYS  56           HE1      LYS  56 -48.242   3.066  -3.822
  483   2HE   LYS  56           HE2      LYS  56 -46.485   3.120  -3.899
  484   1HZ   LYS  56           HZ1      LYS  56 -47.674   4.572  -2.192
  485   2HZ   LYS  56           HZ2      LYS  56 -46.319   3.687  -1.680
  486   3HZ   LYS  56           HZ3      LYS  56 -47.881   3.140  -1.305
  487    H    LYS  57           HN       LYS  57 -48.372  -2.604   1.695
  488    HA   LYS  57           HA       LYS  57 -49.330  -4.902   0.405
  489   1HB   LYS  57           HB1      LYS  57 -48.363  -5.034   2.647
  490   2HB   LYS  57           HB2      LYS  57 -50.020  -5.614   2.762
  491   1HG   LYS  57           HG1      LYS  57 -50.728  -3.313   3.466
  492   2HG   LYS  57           HG2      LYS  57 -49.036  -2.827   3.463
  493   1HD   LYS  57           HD1      LYS  57 -48.495  -4.355   5.227
  494   2HD   LYS  57           HD2      LYS  57 -50.035  -5.193   5.069
  495   1HE   LYS  57           HE1      LYS  57 -51.236  -3.199   5.839
  496   2HE   LYS  57           HE2      LYS  57 -49.731  -2.292   5.909
  497   1HZ   LYS  57           HZ1      LYS  57 -50.592  -3.260   8.058
  498   2HZ   LYS  57           HZ2      LYS  57 -48.963  -3.564   7.687
  499   3HZ   LYS  57                 LYS  57 -50.127  -4.778   7.455
   
  Start of MODEL           6
 Raw file had 499 H/Q atoms
  Start of MODEL    6
    1   1H    LYS   1           HT1      LYS   1  -8.655  -5.011 -11.041
    2   2H    LYS   1           HT2      LYS   1 -10.335  -4.827 -10.868
    3   3H    LYS   1           HT3      LYS   1  -9.329  -4.775  -9.500
    4    HA   LYS   1           HA       LYS   1  -8.241  -2.779 -10.414
    5   1HB   LYS   1           HB1      LYS   1  -8.778  -2.080 -12.526
    6   2HB   LYS   1           HB2      LYS   1 -10.493  -2.065 -12.134
    7   1HG   LYS   1           HG1      LYS   1 -10.662  -4.461 -12.601
    8   2HG   LYS   1           HG2      LYS   1  -8.925  -4.560 -12.872
    9   1HD   LYS   1           HD1      LYS   1  -9.071  -3.169 -14.832
   10   2HD   LYS   1           HD2      LYS   1 -10.744  -2.747 -14.483
   11   1HE   LYS   1           HE1      LYS   1 -10.459  -4.530 -16.264
   12   2HE   LYS   1           HE2      LYS   1 -11.483  -5.003 -14.914
   13   1HZ   LYS   1           HZ1      LYS   1  -8.689  -5.794 -15.452
   14   2HZ   LYS   1           HZ2      LYS   1 -10.053  -6.789 -15.265
   15   3HZ   LYS   1           HZ3      LYS   1  -9.397  -5.984 -13.921
   16    OH   TYR   2           OH       TYR   2  -7.680   2.404  -9.121
   17    H    TYR   2           HN       TYR   2 -11.789  -3.012 -10.746
   18    HA   TYR   2           HA       TYR   2 -12.144  -1.841  -8.081
   19   1HB   TYR   2           HB1      TYR   2 -13.374   0.154  -8.954
   20   2HB   TYR   2           HB2      TYR   2 -12.966  -0.321 -10.602
   21    HD1  TYR   2           HD2      TYR   2 -11.494   0.720  -7.353
   22    HD2  TYR   2           HD1      TYR   2 -10.817   0.188 -11.516
   23    HE1  TYR   2           HE2      TYR   2  -9.365   1.925  -7.161
   24    HE2  TYR   2           HE1      TYR   2  -8.684   1.381 -11.323
   25    HH   TYR   2           HH       TYR   2  -7.771   3.245  -9.576
   26    H    ILE   3           HN       ILE   3 -12.992  -4.261  -9.025
   27    HA   ILE   3           HA       ILE   3 -15.928  -3.867  -9.441
   28    HB   ILE   3           HB       ILE   3 -13.978  -6.040 -10.283
   29   1HG1  ILE   3          HG11      ILE   3 -14.810  -3.905 -11.648
   30   2HG1  ILE   3          HG12      ILE   3 -16.199  -4.937 -11.965
   31   1HG2  ILE   3          HG21      ILE   3 -16.974  -6.182  -9.805
   32   2HG2  ILE   3          HG22      ILE   3 -15.747  -7.389  -9.435
   33   3HG2  ILE   3          HG23      ILE   3 -16.261  -7.138 -11.100
   34   1HD1  ILE   3           HD1      ILE   3 -14.560  -5.305 -13.727
   35   2HD1  ILE   3           HD2      ILE   3 -14.602  -6.742 -12.710
   36   3HD1  ILE   3           HD3      ILE   3 -13.288  -5.582 -12.541
   37    H    CYS   4           HN       CYS   4 -16.817  -3.959  -7.399
   38    HA   CYS   4           HA       CYS   4 -15.739  -5.334  -5.207
   39   1HB   CYS   4           HB1      CYS   4 -18.646  -4.810  -5.894
   40   2HB   CYS   4           HB2      CYS   4 -17.621  -3.820  -4.894
   41    H    GLU   5           HN       GLU   5 -15.128  -7.351  -5.217
   42    HA   GLU   5           HA       GLU   5 -16.126  -9.404  -6.867
   43   1HB   GLU   5           HB1      GLU   5 -14.948 -10.941  -5.294
   44   2HB   GLU   5           HB2      GLU   5 -14.849  -9.650  -4.103
   45   1HG   GLU   5           HG1      GLU   5 -12.725  -9.806  -5.329
   46   2HG   GLU   5           HG2      GLU   5 -13.526  -8.289  -5.728
   47    H    GLU   6           HN       GLU   6 -17.487  -8.053  -4.016
   48    HA   GLU   6           HA       GLU   6 -19.070 -10.405  -3.387
   49   1HB   GLU   6           HB1      GLU   6 -19.711  -7.652  -2.347
   50   2HB   GLU   6           HB2      GLU   6 -18.205  -8.400  -1.839
   51   1HG   GLU   6           HG1      GLU   6 -20.019  -8.939  -0.248
   52   2HG   GLU   6           HG2      GLU   6 -19.459 -10.396  -1.066
   53    H    CYS   7           HN       CYS   7 -20.029  -7.065  -4.188
   54    HA   CYS   7           HA       CYS   7 -22.626  -8.029  -5.145
   55   1HB   CYS   7           HB1      CYS   7 -23.139  -5.703  -5.469
   56   2HB   CYS   7           HB2      CYS   7 -21.459  -5.262  -5.545
   57    H    GLY   8           HN       GLY   8 -19.923  -6.244  -6.590
   58   1HA   GLY   8           HA1      GLY   8 -20.693  -7.393  -9.245
   59   2HA   GLY   8           HA2      GLY   8 -19.023  -7.109  -8.765
   60    H    ILE   9           HN       ILE   9 -20.247  -4.584  -7.390
   61    HA   ILE   9           HA       ILE   9 -21.195  -2.859  -9.414
   62    HB   ILE   9           HB       ILE   9 -21.050  -2.529  -6.815
   63   1HG1  ILE   9          HG11      ILE   9 -20.740  -0.491  -8.976
   64   2HG1  ILE   9          HG12      ILE   9 -20.589   0.060  -7.311
   65   1HG2  ILE   9          HG21      ILE   9 -18.452  -1.123  -7.606
   66   2HG2  ILE   9          HG22      ILE   9 -18.452  -2.754  -6.944
   67   3HG2  ILE   9          HG23      ILE   9 -19.068  -1.422  -5.993
   68   1HD1  ILE   9           HD1      ILE   9 -22.909  -1.600  -8.354
   69   2HD1  ILE   9           HD2      ILE   9 -22.951   0.149  -8.164
   70   3HD1  ILE   9           HD3      ILE   9 -22.769  -0.886  -6.751
   71    NH1  ARG  10           NH2      ARG  10 -20.026  -3.389 -16.047
   72    NH2  ARG  10           NH1      ARG  10 -20.336  -1.125 -15.998
   73    H    ARG  10           HN       ARG  10 -20.216  -1.866 -11.074
   74    HA   ARG  10           HA       ARG  10 -17.245  -2.125 -11.252
   75   1HB   ARG  10           HB1      ARG  10 -19.130  -1.409 -13.528
   76   2HB   ARG  10           HB2      ARG  10 -18.892  -3.082 -13.048
   77   1HG   ARG  10           HG1      ARG  10 -16.382  -2.683 -13.318
   78   2HG   ARG  10           HG2      ARG  10 -16.792  -1.138 -14.056
   79   1HD   ARG  10           HD1      ARG  10 -17.878  -3.799 -15.029
   80   2HD   ARG  10           HD2      ARG  10 -16.453  -3.022 -15.711
   81    HE   ARG  10           HE       ARG  10 -17.869  -1.299 -16.622
   82   1HH1  ARG  10          HH21      ARG  10 -19.399  -4.167 -16.074
   83   2HH1  ARG  10          HH22      ARG  10 -21.014  -3.544 -16.031
   84   1HH2  ARG  10          HH11      ARG  10 -19.942  -0.207 -15.989
   85   2HH2  ARG  10          HH12      ARG  10 -21.330  -1.243 -15.981
   86    H    ABA  11           HN       ABU  11 -16.266  -0.348 -10.556
   87    HA   ABA  11           HA       ABU  11 -17.261   2.284 -11.592
   88   1HB   ABA  11           HB1      ABU  11 -16.624   3.289  -9.436
   89   2HB   ABA  11           HB2      ABU  11 -15.997   1.756  -8.866
   90   1HG   ABA  11           HG1      ABU  11 -18.895   2.289  -9.596
   91   2HG   ABA  11           HG2      ABU  11 -18.265   2.193  -7.954
   92   3HG   ABA  11           HG3      ABU  11 -18.254   0.766  -8.988
   93    H    LYS  12           HN       LYS  12 -15.777   2.932 -13.015
   94    HA   LYS  12           HA       LYS  12 -13.041   2.066 -12.930
   95   1HB   LYS  12           HB1      LYS  12 -12.760   3.674 -14.821
   96   2HB   LYS  12           HB2      LYS  12 -14.355   4.335 -14.488
   97   1HG   LYS  12           HG1      LYS  12 -14.622   1.495 -14.661
   98   2HG   LYS  12           HG2      LYS  12 -13.674   2.016 -16.047
   99   1HD   LYS  12           HD1      LYS  12 -16.302   3.296 -15.219
  100   2HD   LYS  12           HD2      LYS  12 -16.162   2.051 -16.452
  101   1HE   LYS  12           HE1      LYS  12 -14.234   4.199 -16.881
  102   2HE   LYS  12           HE2      LYS  12 -15.884   4.806 -16.854
  103   1HZ   LYS  12           HZ1      LYS  12 -16.094   4.065 -18.905
  104   2HZ   LYS  12           HZ2      LYS  12 -15.935   2.474 -18.332
  105   3HZ   LYS  12           HZ3      LYS  12 -14.566   3.327 -18.862
  106    H    LYS  13           HN       LYS  13 -14.408   3.987 -10.791
  107    HA   LYS  13           HA       LYS  13 -12.029   5.777 -10.617
  108   1HB   LYS  13           HB1      LYS  13 -13.741   7.286  -9.299
  109   2HB   LYS  13           HB2      LYS  13 -14.961   6.307 -10.103
  110   1HG   LYS  13           HG1      LYS  13 -13.965   6.889 -12.302
  111   2HG   LYS  13           HG2      LYS  13 -12.766   7.886 -11.488
  112   1HD   LYS  13           HD1      LYS  13 -14.777   9.112 -10.420
  113   2HD   LYS  13           HD2      LYS  13 -15.756   8.312 -11.643
  114   1HE   LYS  13           HE1      LYS  13 -13.328  10.037 -12.235
  115   2HE   LYS  13           HE2      LYS  13 -14.997  10.581 -12.364
  116   1HZ   LYS  13           HZ1      LYS  13 -14.553   8.135 -13.763
  117   2HZ   LYS  13           HZ2      LYS  13 -13.536   9.376 -14.320
  118   3HZ   LYS  13           HZ3      LYS  13 -15.220   9.596 -14.317
  119    HA   PRO  14           HA       PRO  14 -11.460   3.735  -6.667
  120   1HB   PRO  14           HB1      PRO  14  -9.324   4.478  -6.221
  121   2HB   PRO  14           HB2      PRO  14 -10.017   5.920  -5.477
  122   1HG   PRO  14           HG1      PRO  14  -8.520   5.817  -7.902
  123   2HG   PRO  14           HG2      PRO  14  -9.401   7.210  -7.273
  124   1HD   PRO  14           HD1      PRO  14 -10.852   7.003  -9.027
  125   2HD   PRO  14           HD2      PRO  14 -10.080   5.483  -9.520
  126    H    SER  15           HN       SER  15 -11.879   7.271  -6.347
  127    HA   SER  15           HA       SER  15 -13.029   7.368  -3.826
  128   1HB   SER  15           HB1      SER  15 -12.615   9.360  -5.383
  129   2HB   SER  15           HB2      SER  15 -14.218   9.421  -4.626
  130    HG   SER  15           HG1      SER  15 -14.031   7.887  -6.915
  131    H    MET  16           HN       MET  16 -14.530   6.287  -6.820
  132    HA   MET  16           HA       MET  16 -17.192   6.133  -5.649
  133   1HB   MET  16           HB1      MET  16 -17.533   4.639  -7.782
  134   2HB   MET  16           HB2      MET  16 -15.895   5.132  -8.206
  135   1HG   MET  16           HG1      MET  16 -17.512   6.641  -9.226
  136   2HG   MET  16           HG2      MET  16 -16.542   7.483  -8.047
  137   1HE   MET  16           HE1      MET  16 -18.209   8.885  -9.159
  138   2HE   MET  16           HE2      MET  16 -18.783   9.758  -7.738
  139   3HE   MET  16           HE3      MET  16 -19.935   8.963  -8.811
  140    H    LEU  17           HN       LEU  17 -14.977   3.566  -6.833
  141    HA   LEU  17           HA       LEU  17 -16.387   1.436  -5.610
  142   1HB   LEU  17           HB1      LEU  17 -13.355   1.518  -5.827
  143   2HB   LEU  17           HB2      LEU  17 -14.330   1.450  -7.275
  144    HG   LEU  17           HG       LEU  17 -13.595  -0.817  -6.529
  145   1HD1  LEU  17          HD11      LEU  17 -15.435  -0.500  -4.154
  146   2HD1  LEU  17          HD12      LEU  17 -13.721  -0.135  -4.050
  147   3HD1  LEU  17          HD13      LEU  17 -14.253  -1.759  -4.464
  148   1HD2  LEU  17          HD21      LEU  17 -16.561  -0.840  -6.059
  149   2HD2  LEU  17          HD22      LEU  17 -15.581  -1.848  -7.113
  150   3HD2  LEU  17          HD23      LEU  17 -15.974  -0.203  -7.586
  151    H    LYS  18           HN       LYS  18 -13.542   3.212  -4.512
  152    HA   LYS  18           HA       LYS  18 -13.042   2.170  -2.049
  153   1HB   LYS  18           HB1      LYS  18 -13.300   5.138  -2.747
  154   2HB   LYS  18           HB2      LYS  18 -11.854   4.156  -2.947
  155   1HG   LYS  18           HG1      LYS  18 -12.587   3.785  -0.267
  156   2HG   LYS  18           HG2      LYS  18 -12.848   5.499  -0.564
  157   1HD   LYS  18           HD1      LYS  18 -10.557   5.660  -1.518
  158   2HD   LYS  18           HD2      LYS  18 -10.303   3.956  -1.161
  159   1HE   LYS  18           HE1      LYS  18  -9.793   4.430   0.983
  160   2HE   LYS  18           HE2      LYS  18 -11.303   5.308   1.190
  161   1HZ   LYS  18           HZ1      LYS  18 -10.226   7.216   1.101
  162   2HZ   LYS  18           HZ2      LYS  18  -9.491   6.812  -0.376
  163   3HZ   LYS  18           HZ3      LYS  18  -8.759   6.360   1.089
  164    H    LYS  19           HN       LYS  19 -15.488   4.722  -2.599
  165    HA   LYS  19           HA       LYS  19 -16.511   4.616   0.049
  166   1HB   LYS  19           HB1      LYS  19 -18.635   5.314  -1.734
  167   2HB   LYS  19           HB2      LYS  19 -17.156   5.933  -2.455
  168   1HG   LYS  19           HG1      LYS  19 -16.579   7.010  -0.278
  169   2HG   LYS  19           HG2      LYS  19 -18.107   6.442   0.383
  170   1HD   LYS  19           HD1      LYS  19 -19.071   7.638  -1.810
  171   2HD   LYS  19           HD2      LYS  19 -17.595   8.580  -1.647
  172   1HE   LYS  19           HE1      LYS  19 -18.194   9.116   0.695
  173   2HE   LYS  19           HE2      LYS  19 -19.671   8.173   0.534
  174   1HZ   LYS  19           HZ1      LYS  19 -20.017   9.753  -1.505
  175   2HZ   LYS  19           HZ2      LYS  19 -18.990  10.773  -0.618
  176   3HZ   LYS  19           HZ3      LYS  19 -20.449  10.236   0.065
  177    H    HIS  20           HN       HIS  20 -17.354   2.845  -2.882
  178    HA   HIS  20           HA       HIS  20 -19.732   1.640  -1.866
  179   1HB   HIS  20           HB1      HIS  20 -17.723   0.623  -3.917
  180   2HB   HIS  20           HB2      HIS  20 -19.193   1.523  -4.270
  181    HD1  HIS  20           HD1      HIS  20 -21.152   0.010  -4.628
  182    HD2  HIS  20           HD2      HIS  20 -18.192  -1.941  -2.636
  183    HE1  HIS  20           HE1      HIS  20 -21.936  -2.300  -4.398
  184    H    ILE  21           HN       ILE  21 -16.361   0.430  -1.917
  185    HA   ILE  21           HA       ILE  21 -16.928  -2.043  -0.686
  186    HB   ILE  21           HB       ILE  21 -14.620  -0.946  -1.605
  187   1HG1  ILE  21          HG11      ILE  21 -14.852  -3.050   0.583
  188   2HG1  ILE  21          HG12      ILE  21 -13.403  -2.780  -0.374
  189   1HG2  ILE  21          HG21      ILE  21 -13.127  -0.290   0.175
  190   2HG2  ILE  21          HG22      ILE  21 -14.206  -0.904   1.422
  191   3HG2  ILE  21          HG23      ILE  21 -14.612   0.555   0.544
  192   1HD1  ILE  21           HD1      ILE  21 -15.484  -2.993  -2.263
  193   2HD1  ILE  21           HD2      ILE  21 -15.810  -4.252  -1.078
  194   3HD1  ILE  21           HD3      ILE  21 -14.260  -4.205  -1.910
  195    NH1  ARG  22           NH2      ARG  22 -13.931   6.476   3.087
  196    NH2  ARG  22           NH1      ARG  22 -12.034   5.688   4.088
  197    H    ARG  22           HN       ARG  22 -16.657   1.165   0.680
  198    HA   ARG  22           HA       ARG  22 -16.523   0.228   3.428
  199   1HB   ARG  22           HB1      ARG  22 -17.393   2.673   3.834
  200   2HB   ARG  22           HB2      ARG  22 -17.213   2.874   2.099
  201   1HG   ARG  22           HG1      ARG  22 -14.846   2.249   2.238
  202   2HG   ARG  22           HG2      ARG  22 -15.008   1.951   3.966
  203   1HD   ARG  22           HD1      ARG  22 -15.514   4.293   4.382
  204   2HD   ARG  22           HD2      ARG  22 -15.576   4.630   2.653
  205    HE   ARG  22           HE       ARG  22 -13.015   3.524   3.319
  206   1HH1  ARG  22          HH21      ARG  22 -14.817   6.287   2.665
  207   2HH1  ARG  22          HH22      ARG  22 -13.606   7.418   3.168
  208   1HH2  ARG  22          HH11      ARG  22 -11.499   4.910   4.417
  209   2HH2  ARG  22          HH12      ARG  22 -11.677   6.618   4.187
  210    H    THR  23           HN       THR  23 -19.116   1.091   1.217
  211    HA   THR  23           HA       THR  23 -21.269   1.288   2.968
  212    HB   THR  23           HB       THR  23 -21.280  -0.269   0.302
  213    HG1  THR  23           HG1      THR  23 -20.305   1.764   0.144
  214   1HG2  THR  23          HG21      THR  23 -23.372   1.060   2.066
  215   2HG2  THR  23          HG22      THR  23 -23.549  -0.361   1.045
  216   3HG2  THR  23          HG23      THR  23 -23.546   1.244   0.323
  217    H    HIS  24           HN       HIS  24 -19.325  -1.478   2.267
  218    HA   HIS  24           HA       HIS  24 -21.301  -3.409   3.249
  219   1HB   HIS  24           HB1      HIS  24 -19.133  -4.897   3.312
  220   2HB   HIS  24           HB2      HIS  24 -18.333  -3.520   2.559
  221    HD1  HIS  24           HD1      HIS  24 -21.177  -5.845   1.850
  222    HD2  HIS  24           HD2      HIS  24 -18.774  -3.238  -0.154
  223    HE1  HIS  24           HE1      HIS  24 -21.692  -6.168  -0.541
  224    H    THR  25           HN       THR  25 -20.140  -1.028   4.858
  225    HA   THR  25           HA       THR  25 -19.181  -2.544   7.232
  226    HB   THR  25           HB       THR  25 -18.569  -0.174   8.021
  227    HG1  THR  25           HG1      THR  25 -20.057   0.235   5.751
  228   1HG2  THR  25          HG21      THR  25 -17.568  -1.403   5.467
  229   2HG2  THR  25          HG22      THR  25 -16.638  -0.906   6.876
  230   3HG2  THR  25          HG23      THR  25 -17.170   0.296   5.705
  231    H    ASP  26           HN       ASP  26 -20.373   0.513   7.869
  232    HA   ASP  26           HA       ASP  26 -23.102  -0.384   8.498
  233   1HB   ASP  26           HB1      ASP  26 -22.805   0.415  10.906
  234   2HB   ASP  26           HB2      ASP  26 -21.077   0.544  10.593
  235    H    VAL  27           HN       VAL  27 -21.759   1.512   6.787
  236    HA   VAL  27           HA       VAL  27 -22.586   4.125   7.917
  237    HB   VAL  27           HB       VAL  27 -20.361   3.970   6.851
  238   1HG1  VAL  27          HG11      VAL  27 -20.919   2.060   5.352
  239   2HG1  VAL  27          HG12      VAL  27 -20.111   3.360   4.495
  240   3HG1  VAL  27          HG13      VAL  27 -21.850   3.145   4.341
  241   1HG2  VAL  27          HG21      VAL  27 -21.632   5.443   4.664
  242   2HG2  VAL  27          HG22      VAL  27 -20.588   6.039   5.949
  243   3HG2  VAL  27          HG23      VAL  27 -22.316   5.863   6.231
  244    NH1  ARG  28           NH1      ARG  28 -26.116  -2.135   2.350
  245    NH2  ARG  28           NH2      ARG  28 -24.074  -3.068   2.767
  246    H    ARG  28           HN       ARG  28 -24.672   2.456   7.412
  247    HA   ARG  28           HA       ARG  28 -25.942   3.592   4.958
  248   1HB   ARG  28           HB1      ARG  28 -27.425   1.481   5.226
  249   2HB   ARG  28           HB2      ARG  28 -26.223   0.930   6.386
  250   1HG   ARG  28           HG1      ARG  28 -24.582   1.627   4.360
  251   2HG   ARG  28           HG2      ARG  28 -26.013   1.200   3.431
  252   1HD   ARG  28           HD1      ARG  28 -26.106  -0.972   4.728
  253   2HD   ARG  28           HD2      ARG  28 -24.546  -0.550   5.430
  254    HE   ARG  28           HE       ARG  28 -23.751  -0.449   2.967
  255   1HH1  ARG  28          HH11      ARG  28 -26.724  -1.343   2.405
  256   2HH1  ARG  28          HH12      ARG  28 -26.441  -2.985   1.935
  257   1HH2  ARG  28          HH21      ARG  28 -23.148  -2.974   3.135
  258   2HH2  ARG  28          HH22      ARG  28 -24.363  -3.934   2.359
  259    HA   PRO  29           HA       PRO  29 -28.118   5.270   8.726
  260   1HB   PRO  29           HB1      PRO  29 -27.983   7.541   8.415
  261   2HB   PRO  29           HB2      PRO  29 -28.969   7.449   6.954
  262   1HG   PRO  29           HG1      PRO  29 -26.053   7.695   7.177
  263   2HG   PRO  29           HG2      PRO  29 -27.062   7.848   5.737
  264   1HD   PRO  29           HD1      PRO  29 -26.526   5.744   5.067
  265   2HD   PRO  29           HD2      PRO  29 -25.354   5.659   6.394
  266    OH   TYR  30           OH       TYR  30 -30.190   9.591   2.285
  267    H    TYR  30           HN       TYR  30 -29.154   4.671   5.443
  268    HA   TYR  30           HA       TYR  30 -31.992   4.987   6.087
  269   1HB   TYR  30           HB1      TYR  30 -32.324   4.045   3.789
  270   2HB   TYR  30           HB2      TYR  30 -30.619   3.636   3.706
  271    HD1  TYR  30           HD1      TYR  30 -32.753   6.608   4.525
  272    HD2  TYR  30           HD2      TYR  30 -29.233   5.180   2.608
  273    HE1  TYR  30           HE1      TYR  30 -32.261   8.875   3.733
  274    HE2  TYR  30           HE2      TYR  30 -28.741   7.450   1.825
  275    HH   TYR  30           HH       TYR  30 -31.023  10.018   2.068
  276    H    HIS  31           HN       HIS  31 -32.241   3.600   7.886
  277    HA   HIS  31           HA       HIS  31 -31.889   0.680   7.370
  278   1HB   HIS  31           HB1      HIS  31 -32.470   0.608   9.913
  279   2HB   HIS  31           HB2      HIS  31 -32.309   2.360   9.879
  280    HD1  HIS  31           HD1      HIS  31 -30.311  -0.623   9.957
  281    HD2  HIS  31           HD2      HIS  31 -29.659   3.298   9.155
  282    HE1  HIS  31           HE1      HIS  31 -27.900  -0.354  10.072
  283    H    CYS  32           HN       CYS  32 -33.615  -0.740   7.385
  284    HA   CYS  32           HA       CYS  32 -36.211   0.310   6.783
  285   1HB   CYS  32           HB1      CYS  32 -35.140  -2.425   7.537
  286   2HB   CYS  32           HB2      CYS  32 -35.742  -1.892   5.989
  287    H    THR  33           HN       THR  33 -38.103   0.345   8.034
  288    HA   THR  33           HA       THR  33 -37.617   0.840  10.876
  289    HB   THR  33           HB       THR  33 -40.147   0.915   9.131
  290    HG1  THR  33           HG1      THR  33 -39.721   3.193   9.819
  291   1HG2  THR  33          HG21      THR  33 -39.679   1.305  12.104
  292   2HG2  THR  33          HG22      THR  33 -41.128   0.713  11.297
  293   3HG2  THR  33          HG23      THR  33 -40.759   2.434  11.292
  294    OH   TYR  34           OH       TYR  34 -44.150  -0.481   9.222
  295    H    TYR  34           HN       TYR  34 -37.608  -1.937   9.458
  296    HA   TYR  34           HA       TYR  34 -39.017  -3.296  11.696
  297   1HB   TYR  34           HB1      TYR  34 -40.025  -4.923  10.125
  298   2HB   TYR  34           HB2      TYR  34 -39.250  -4.130   8.761
  299    HD1  TYR  34           HD2      TYR  34 -39.903  -1.704   8.249
  300    HD2  TYR  34           HD1      TYR  34 -42.110  -4.130  10.957
  301    HE1  TYR  34           HE2      TYR  34 -41.839  -0.218   8.006
  302    HE2  TYR  34           HE1      TYR  34 -44.042  -2.638  10.714
  303    HH   TYR  34           HH       TYR  34 -44.942  -1.022   9.176
  304    H    CYS  35           HN       CYS  35 -37.332  -4.275   8.721
  305    HA   CYS  35           HA       CYS  35 -35.943  -6.441   9.979
  306   1HB   CYS  35           HB1      CYS  35 -34.642  -6.530   7.927
  307   2HB   CYS  35           HB2      CYS  35 -35.015  -4.874   7.549
  308    H    ASN  36           HN       ASN  36 -33.364  -6.215   9.169
  309    HA   ASN  36           HA       ASN  36 -32.288  -4.011  10.884
  310   1HB   ASN  36           HB1      ASN  36 -31.287  -6.881  10.487
  311   2HB   ASN  36           HB2      ASN  36 -31.983  -6.223  11.967
  312   1HD2  ASN  36          HD21      ASN  36 -30.723  -4.419  13.027
  313   2HD2  ASN  36          HD22      ASN  36 -29.037  -4.375  12.835
  314    H    PHE  37           HN       PHE  37 -32.667  -4.958   7.835
  315    HA   PHE  37           HA       PHE  37 -29.945  -4.626   6.833
  316   1HB   PHE  37           HB1      PHE  37 -32.366  -4.305   5.067
  317   2HB   PHE  37           HB2      PHE  37 -32.128  -5.877   5.827
  318    HD1  PHE  37           HD2      PHE  37 -29.811  -6.995   5.544
  319    HD2  PHE  37           HD1      PHE  37 -31.105  -3.706   3.172
  320    HE1  PHE  37           HE2      PHE  37 -28.108  -7.538   3.858
  321    HE2  PHE  37           HE1      PHE  37 -29.402  -4.253   1.487
  322    HZ   PHE  37           HZ       PHE  37 -27.903  -6.168   1.830
  323    H    SER  38           HN       SER  38 -29.330  -2.890   5.390
  324    HA   SER  38           HA       SER  38 -30.986  -0.453   5.541
  325   1HB   SER  38           HB1      SER  38 -28.078  -0.422   6.447
  326   2HB   SER  38           HB2      SER  38 -29.423  -0.562   7.583
  327    HG   SER  38           HG1      SER  38 -29.473   1.380   5.555
  328    H    PHE  39           HN       PHE  39 -29.933   1.352   4.309
  329    HA   PHE  39           HA       PHE  39 -28.228   0.319   2.093
  330   1HB   PHE  39           HB1      PHE  39 -29.740   1.265   0.470
  331   2HB   PHE  39           HB2      PHE  39 -30.593   2.188   1.706
  332    HD1  PHE  39           HD2      PHE  39 -31.990   0.971   3.405
  333    HD2  PHE  39           HD1      PHE  39 -30.320  -1.049   0.054
  334    HE1  PHE  39           HE2      PHE  39 -33.535  -0.898   3.767
  335    HE2  PHE  39           HE1      PHE  39 -31.871  -2.921   0.418
  336    HZ   PHE  39           HZ       PHE  39 -33.480  -2.846   2.277
  337    H    LYS  40           HN       LYS  40 -27.133   1.999   0.906
  338    HA   LYS  40           HA       LYS  40 -26.334   4.214   2.679
  339   1HB   LYS  40           HB1      LYS  40 -25.356   3.202  -0.036
  340   2HB   LYS  40           HB2      LYS  40 -24.592   2.941   1.514
  341   1HG   LYS  40           HG1      LYS  40 -24.873   5.609   0.095
  342   2HG   LYS  40           HG2      LYS  40 -23.390   4.698   0.327
  343   1HD   LYS  40           HD1      LYS  40 -24.025   4.832   2.872
  344   2HD   LYS  40           HD2      LYS  40 -25.008   6.198   2.363
  345   1HE   LYS  40           HE1      LYS  40 -22.033   5.888   2.336
  346   2HE   LYS  40           HE2      LYS  40 -23.003   7.291   2.766
  347   1HZ   LYS  40           HZ1      LYS  40 -22.109   6.382   0.143
  348   2HZ   LYS  40           HZ2      LYS  40 -22.249   7.958   0.759
  349   3HZ   LYS  40           HZ3      LYS  40 -23.633   7.126   0.231
  350    H    THR  41           HN       THR  41 -28.487   3.657   0.135
  351    HA   THR  41           HA       THR  41 -28.700   6.598  -0.360
  352    HB   THR  41           HB       THR  41 -29.155   6.141  -2.684
  353    HG1  THR  41           HG1      THR  41 -29.862   4.089  -3.257
  354   1HG2  THR  41          HG21      THR  41 -26.760   5.297  -1.855
  355   2HG2  THR  41          HG22      THR  41 -27.327   4.709  -3.414
  356   3HG2  THR  41          HG23      THR  41 -27.459   3.686  -1.987
  357    H    LYS  42           HN       LYS  42 -30.790   7.392  -0.829
  358    HA   LYS  42           HA       LYS  42 -32.823   6.153   0.817
  359   1HB   LYS  42           HB1      LYS  42 -32.936   8.589  -1.021
  360   2HB   LYS  42           HB2      LYS  42 -32.527   8.633   0.690
  361   1HG   LYS  42           HG1      LYS  42 -34.902   7.244   0.720
  362   2HG   LYS  42           HG2      LYS  42 -35.166   8.374  -0.602
  363   1HD   LYS  42           HD1      LYS  42 -34.390  10.229   0.919
  364   2HD   LYS  42           HD2      LYS  42 -34.335   9.061   2.235
  365   1HE   LYS  42           HE1      LYS  42 -36.819   9.558   0.569
  366   2HE   LYS  42           HE2      LYS  42 -36.492  10.402   2.077
  367   1HZ   LYS  42           HZ1      LYS  42 -37.898   8.454   2.391
  368   2HZ   LYS  42           HZ2      LYS  42 -36.430   8.303   3.228
  369   3HZ   LYS  42           HZ3      LYS  42 -36.669   7.456   1.776
  370    H    GLY  43           HN       GLY  43 -31.904   5.960  -2.441
  371   1HA   GLY  43           HA1      GLY  43 -32.958   5.018  -4.324
  372   2HA   GLY  43           HA2      GLY  43 -34.497   5.524  -3.631
  373    H    ASN  44           HN       ASN  44 -31.929   3.139  -2.994
  374    HA   ASN  44           HA       ASN  44 -33.370   0.816  -3.364
  375   1HB   ASN  44           HB1      ASN  44 -31.872  -0.086  -1.408
  376   2HB   ASN  44           HB2      ASN  44 -31.221   1.547  -1.337
  377   1HD2  ASN  44          HD21      ASN  44 -31.787   1.674  -4.409
  378   2HD2  ASN  44          HD22      ASN  44 -30.450   0.872  -5.080
  379    H    LEU  45           HN       LEU  45 -33.556   3.023  -0.661
  380    HA   LEU  45           HA       LEU  45 -34.929   1.367   1.181
  381   1HB   LEU  45           HB1      LEU  45 -35.559   4.316   0.754
  382   2HB   LEU  45           HB2      LEU  45 -33.999   3.828   1.391
  383    HG   LEU  45           HG       LEU  45 -35.597   4.390   3.207
  384   1HD1  LEU  45          HD11      LEU  45 -37.639   3.244   3.549
  385   2HD1  LEU  45          HD12      LEU  45 -37.222   1.953   2.435
  386   3HD1  LEU  45          HD13      LEU  45 -37.612   3.551   1.818
  387   1HD2  LEU  45          HD21      LEU  45 -34.859   2.703   4.593
  388   2HD2  LEU  45          HD22      LEU  45 -33.844   2.359   3.203
  389   3HD2  LEU  45          HD23      LEU  45 -35.302   1.421   3.476
  390    H    THR  46           HN       THR  46 -36.338   3.762  -1.057
  391    HA   THR  46           HA       THR  46 -39.032   3.096  -0.679
  392    HB   THR  46           HB       THR  46 -37.628   3.858  -3.315
  393    HG1  THR  46           HG1      THR  46 -38.993   5.761  -2.000
  394   1HG2  THR  46          HG21      THR  46 -40.523   3.933  -2.314
  395   2HG2  THR  46          HG22      THR  46 -39.943   3.304  -3.854
  396   3HG2  THR  46          HG23      THR  46 -39.970   5.042  -3.566
  397    H    LYS  47           HN       LYS  47 -36.552   1.453  -2.500
  398    HA   LYS  47           HA       LYS  47 -38.311  -0.306  -3.954
  399   1HB   LYS  47           HB1      LYS  47 -35.549  -1.181  -3.118
  400   2HB   LYS  47           HB2      LYS  47 -35.682   0.243  -4.144
  401   1HG   LYS  47           HG1      LYS  47 -36.818  -0.986  -5.861
  402   2HG   LYS  47           HG2      LYS  47 -37.077  -2.364  -4.797
  403   1HD   LYS  47           HD1      LYS  47 -34.628  -2.730  -4.683
  404   2HD   LYS  47           HD2      LYS  47 -34.377  -1.361  -5.759
  405   1HE   LYS  47           HE1      LYS  47 -36.025  -3.810  -6.463
  406   2HE   LYS  47           HE2      LYS  47 -34.355  -3.563  -6.959
  407   1HZ   LYS  47           HZ1      LYS  47 -35.912  -1.287  -7.577
  408   2HZ   LYS  47           HZ2      LYS  47 -36.628  -2.677  -8.239
  409   3HZ   LYS  47           HZ3      LYS  47 -35.017  -2.289  -8.615
  410    H    HIS  48           HN       HIS  48 -36.447  -0.762  -0.943
  411    HA   HIS  48           HA       HIS  48 -37.375  -3.440  -0.502
  412   1HB   HIS  48           HB1      HIS  48 -36.367  -1.310   1.450
  413   2HB   HIS  48           HB2      HIS  48 -35.409  -2.584   0.703
  414    HD1  HIS  48           HD1      HIS  48 -36.706  -5.041   1.282
  415    HD2  HIS  48           HD2      HIS  48 -37.066  -2.021   4.017
  416    HE1  HIS  48           HE1      HIS  48 -37.328  -6.135   3.380
  417    H    MET  49           HN       MET  49 -38.656  -0.295   0.462
  418    HA   MET  49           HA       MET  49 -40.700  -1.437   2.179
  419   1HB   MET  49           HB1      MET  49 -41.710   0.966   1.780
  420   2HB   MET  49           HB2      MET  49 -40.197   1.288   0.939
  421   1HG   MET  49           HG1      MET  49 -39.883   1.952   3.211
  422   2HG   MET  49           HG2      MET  49 -38.970   0.488   2.961
  423   1HE   MET  49           HE1      MET  49 -41.670   1.484   6.268
  424   2HE   MET  49           HE2      MET  49 -41.791   2.301   4.710
  425   3HE   MET  49           HE3      MET  49 -40.247   2.248   5.560
  426    H    LYS  50           HN       LYS  50 -40.467  -0.667  -1.216
  427    HA   LYS  50           HA       LYS  50 -43.233  -0.597  -1.856
  428   1HB   LYS  50           HB1      LYS  50 -40.847  -1.642  -3.457
  429   2HB   LYS  50           HB2      LYS  50 -41.499  -0.006  -3.507
  430   1HG   LYS  50           HG1      LYS  50 -43.745  -1.215  -4.151
  431   2HG   LYS  50           HG2      LYS  50 -42.689  -2.547  -4.600
  432   1HD   LYS  50           HD1      LYS  50 -42.464   0.304  -5.627
  433   2HD   LYS  50           HD2      LYS  50 -43.109  -1.059  -6.534
  434   1HE   LYS  50           HE1      LYS  50 -40.711  -2.090  -5.756
  435   2HE   LYS  50           HE2      LYS  50 -40.292  -0.386  -5.879
  436   1HZ   LYS  50           HZ1      LYS  50 -41.788  -0.904  -8.111
  437   2HZ   LYS  50           HZ2      LYS  50 -40.798  -2.273  -7.944
  438   3HZ   LYS  50           HZ3      LYS  50 -40.099  -0.728  -8.040
  439    H    SER  51           HN       SER  51 -41.058  -3.291  -1.296
  440    HA   SER  51           HA       SER  51 -42.714  -5.363  -2.341
  441   1HB   SER  51           HB1      SER  51 -40.751  -5.426   0.017
  442   2HB   SER  51           HB2      SER  51 -40.347  -5.765  -1.678
  443    HG   SER  51           HG1      SER  51 -42.523  -7.081  -0.513
  444    H    LYS  52           HN       LYS  52 -44.117  -6.810  -1.272
  445    HA   LYS  52           HA       LYS  52 -45.841  -5.502   0.675
  446   1HB   LYS  52           HB1      LYS  52 -45.993  -8.454   0.009
  447   2HB   LYS  52           HB2      LYS  52 -46.390  -7.277  -1.238
  448   1HG   LYS  52           HG1      LYS  52 -48.205  -6.402  -0.006
  449   2HG   LYS  52           HG2      LYS  52 -47.612  -7.064   1.512
  450   1HD   LYS  52           HD1      LYS  52 -48.396  -9.199   1.045
  451   2HD   LYS  52           HD2      LYS  52 -48.257  -8.982  -0.696
  452   1HE   LYS  52           HE1      LYS  52 -50.290  -7.520   1.018
  453   2HE   LYS  52           HE2      LYS  52 -50.640  -9.017   0.164
  454   1HZ   LYS  52           HZ1      LYS  52 -49.474  -7.364  -1.696
  455   2HZ   LYS  52           HZ2      LYS  52 -50.545  -6.366  -0.833
  456   3HZ   LYS  52           HZ3      LYS  52 -51.117  -7.779  -1.583
  457    H    ALA  53           HN       ALA  53 -42.944  -6.618   1.202
  458    HA   ALA  53           HA       ALA  53 -42.978  -8.650   3.104
  459   1HB   ALA  53           HB1      ALA  53 -40.938  -7.625   4.006
  460   2HB   ALA  53           HB2      ALA  53 -41.391  -6.049   3.367
  461   3HB   ALA  53           HB3      ALA  53 -40.944  -7.350   2.267
  462    H    HIS  54           HN       HIS  54 -42.813  -5.258   4.159
  463    HA   HIS  54           HA       HIS  54 -45.066  -5.679   5.976
  464   1HB   HIS  54           HB1      HIS  54 -43.536  -6.493   7.522
  465   2HB   HIS  54           HB2      HIS  54 -43.339  -4.776   7.844
  466    HD1  HIS  54           HD1      HIS  54 -41.593  -7.616   6.331
  467    HD2  HIS  54           HD2      HIS  54 -40.897  -3.619   6.834
  468    HE1  HIS  54           HE1      HIS  54 -39.201  -7.308   5.904
  469    H    SER  55           HN       SER  55 -46.033  -3.948   4.988
  470    HA   SER  55           HA       SER  55 -45.165  -1.332   5.970
  471   1HB   SER  55           HB1      SER  55 -43.838  -1.414   3.898
  472   2HB   SER  55           HB2      SER  55 -45.246  -0.395   3.539
  473    HG   SER  55           HG1      SER  55 -45.763  -3.060   3.300
  474    H    LYS  56           HN       LYS  56 -47.155  -1.265   6.990
  475    HA   LYS  56           HA       LYS  56 -49.634  -1.698   5.527
  476   1HB   LYS  56           HB1      LYS  56 -50.691  -0.922   7.640
  477   2HB   LYS  56           HB2      LYS  56 -49.138  -0.336   8.220
  478   1HG   LYS  56           HG1      LYS  56 -48.246  -2.676   8.044
  479   2HG   LYS  56           HG2      LYS  56 -49.863  -3.220   7.609
  480   1HD   LYS  56           HD1      LYS  56 -50.750  -2.431   9.746
  481   2HD   LYS  56           HD2      LYS  56 -49.189  -1.737  10.173
  482   1HE   LYS  56           HE1      LYS  56 -48.177  -3.867  10.407
  483   2HE   LYS  56           HE2      LYS  56 -49.456  -4.671   9.506
  484   1HZ   LYS  56           HZ1      LYS  56 -49.555  -3.589  12.252
  485   2HZ   LYS  56           HZ2      LYS  56 -49.856  -5.177  11.729
  486   3HZ   LYS  56           HZ3      LYS  56 -50.967  -3.941  11.376
  487    H    LYS  57           HN       LYS  57 -48.385   0.053   3.985
  488    HA   LYS  57           HA       LYS  57 -48.609   2.793   4.523
  489   1HB   LYS  57           HB1      LYS  57 -49.179   1.450   1.841
  490   2HB   LYS  57           HB2      LYS  57 -47.555   1.686   2.474
  491   1HG   LYS  57           HG1      LYS  57 -47.929   4.123   2.563
  492   2HG   LYS  57           HG2      LYS  57 -49.570   3.900   1.965
  493   1HD   LYS  57           HD1      LYS  57 -48.734   2.983  -0.134
  494   2HD   LYS  57           HD2      LYS  57 -47.081   3.015   0.468
  495   1HE   LYS  57           HE1      LYS  57 -47.811   4.972  -1.050
  496   2HE   LYS  57           HE2      LYS  57 -47.004   5.390   0.456
  497   1HZ   LYS  57           HZ1      LYS  57 -48.883   6.770   0.270
  498   2HZ   LYS  57           HZ2      LYS  57 -49.267   5.609   1.448
  499   3HZ   LYS  57                 LYS  57 -49.906   5.471  -0.119
   
  Start of MODEL           7
 Raw file had 499 H/Q atoms
  Start of MODEL    7
    1   1H    LYS   1           HT1      LYS   1  -8.795  -2.722 -11.931
    2   2H    LYS   1           HT2      LYS   1 -10.434  -2.338 -11.704
    3   3H    LYS   1           HT3      LYS   1  -9.998  -3.677 -12.653
    4    HA   LYS   1           HA       LYS   1 -10.123  -4.973 -10.901
    5   1HB   LYS   1           HB1      LYS   1  -8.430  -3.609  -8.978
    6   2HB   LYS   1           HB2      LYS   1  -7.691  -3.480 -10.570
    7   1HG   LYS   1           HG1      LYS   1  -7.768  -5.886 -10.871
    8   2HG   LYS   1           HG2      LYS   1  -8.711  -6.086  -9.397
    9   1HD   LYS   1           HD1      LYS   1  -6.880  -5.473  -8.010
   10   2HD   LYS   1           HD2      LYS   1  -5.986  -4.778  -9.358
   11   1HE   LYS   1           HE1      LYS   1  -5.458  -6.900 -10.257
   12   2HE   LYS   1           HE2      LYS   1  -6.733  -7.701  -9.349
   13   1HZ   LYS   1           HZ1      LYS   1  -5.095  -6.527  -7.473
   14   2HZ   LYS   1           HZ2      LYS   1  -4.046  -7.226  -8.611
   15   3HZ   LYS   1           HZ3      LYS   1  -5.218  -8.181  -7.839
   16    OH   TYR   2           OH       TYR   2  -7.879   2.441  -9.310
   17    H    TYR   2           HN       TYR   2 -11.542  -2.207 -10.967
   18    HA   TYR   2           HA       TYR   2 -12.173  -1.940  -8.086
   19   1HB   TYR   2           HB1      TYR   2 -13.498   0.030  -8.849
   20   2HB   TYR   2           HB2      TYR   2 -13.176  -0.399 -10.526
   21    HD1  TYR   2           HD2      TYR   2 -11.512   0.587  -7.342
   22    HD2  TYR   2           HD1      TYR   2 -11.131   0.242 -11.565
   23    HE1  TYR   2           HE2      TYR   2  -9.400   1.833  -7.254
   24    HE2  TYR   2           HE1      TYR   2  -9.018   1.482 -11.477
   25    HH   TYR   2           HH       TYR   2  -7.217   1.875  -8.908
   26    H    ILE   3           HN       ILE   3 -12.946  -4.366  -9.052
   27    HA   ILE   3           HA       ILE   3 -15.890  -4.121  -9.473
   28    HB   ILE   3           HB       ILE   3 -14.268  -6.676  -9.713
   29   1HG1  ILE   3          HG11      ILE   3 -13.063  -5.077 -11.092
   30   2HG1  ILE   3          HG12      ILE   3 -14.563  -4.479 -11.792
   31   1HG2  ILE   3          HG21      ILE   3 -16.921  -6.295  -9.865
   32   2HG2  ILE   3          HG22      ILE   3 -16.127  -7.408 -10.972
   33   3HG2  ILE   3          HG23      ILE   3 -16.538  -5.780 -11.503
   34   1HD1  ILE   3           HD1      ILE   3 -14.901  -6.425 -13.055
   35   2HD1  ILE   3           HD2      ILE   3 -13.906  -7.409 -11.986
   36   3HD1  ILE   3           HD3      ILE   3 -13.146  -6.277 -13.100
   37    H    CYS   4           HN       CYS   4 -16.807  -4.038  -7.439
   38    HA   CYS   4           HA       CYS   4 -15.762  -5.240  -5.123
   39   1HB   CYS   4           HB1      CYS   4 -18.600  -4.615  -5.951
   40   2HB   CYS   4           HB2      CYS   4 -17.592  -3.726  -4.849
   41    H    GLU   5           HN       GLU   5 -15.273  -7.262  -4.815
   42    HA   GLU   5           HA       GLU   5 -16.115  -9.448  -6.370
   43   1HB   GLU   5           HB1      GLU   5 -15.277 -10.830  -4.402
   44   2HB   GLU   5           HB2      GLU   5 -15.118  -9.333  -3.490
   45   1HG   GLU   5           HG1      GLU   5 -12.953  -9.832  -4.464
   46   2HG   GLU   5           HG2      GLU   5 -13.627  -8.463  -5.345
   47    H    GLU   6           HN       GLU   6 -17.749  -7.901  -3.724
   48    HA   GLU   6           HA       GLU   6 -19.474 -10.177  -3.205
   49   1HB   GLU   6           HB1      GLU   6 -20.076  -7.338  -2.355
   50   2HB   GLU   6           HB2      GLU   6 -18.755  -8.211  -1.595
   51   1HG   GLU   6           HG1      GLU   6 -20.335 -10.057  -1.027
   52   2HG   GLU   6           HG2      GLU   6 -21.652  -9.116  -1.724
   53    H    CYS   7           HN       CYS   7 -20.267  -6.855  -4.200
   54    HA   CYS   7           HA       CYS   7 -22.759  -7.794  -5.402
   55   1HB   CYS   7           HB1      CYS   7 -23.194  -5.487  -5.840
   56   2HB   CYS   7           HB2      CYS   7 -21.504  -5.077  -5.818
   57    H    GLY   8           HN       GLY   8 -19.864  -6.139  -6.610
   58   1HA   GLY   8           HA1      GLY   8 -20.350  -7.412  -9.275
   59   2HA   GLY   8           HA2      GLY   8 -18.750  -7.057  -8.638
   60    H    ILE   9           HN       ILE   9 -20.113  -4.480  -7.543
   61    HA   ILE   9           HA       ILE   9 -20.907  -2.903  -9.744
   62    HB   ILE   9           HB       ILE   9 -21.014  -2.384  -7.185
   63   1HG1  ILE   9          HG11      ILE   9 -20.598  -0.575  -9.490
   64   2HG1  ILE   9          HG12      ILE   9 -20.401   0.176  -7.911
   65   1HG2  ILE   9          HG21      ILE   9 -18.404  -2.586  -7.050
   66   2HG2  ILE   9          HG22      ILE   9 -19.128  -1.212  -6.239
   67   3HG2  ILE   9          HG23      ILE   9 -18.360  -0.996  -7.803
   68   1HD1  ILE   9           HD1      ILE   9 -22.787   0.150  -8.880
   69   2HD1  ILE   9           HD2      ILE   9 -22.606  -0.441  -7.230
   70   3HD1  ILE   9           HD3      ILE   9 -22.779  -1.583  -8.561
   71    NH1  ARG  10           NH2      ARG  10 -13.723  -3.123 -15.252
   72    NH2  ARG  10           NH1      ARG  10 -14.136  -3.757 -17.408
   73    H    ARG  10           HN       ARG  10 -19.827  -2.093 -11.408
   74    HA   ARG  10           HA       ARG  10 -16.854  -2.255 -11.353
   75   1HB   ARG  10           HB1      ARG  10 -18.729  -1.782 -13.718
   76   2HB   ARG  10           HB2      ARG  10 -18.201  -3.378 -13.204
   77   1HG   ARG  10           HG1      ARG  10 -15.790  -2.416 -13.413
   78   2HG   ARG  10           HG2      ARG  10 -16.540  -1.130 -14.349
   79   1HD   ARG  10           HD1      ARG  10 -17.651  -3.051 -15.706
   80   2HD   ARG  10           HD2      ARG  10 -16.428  -4.084 -14.970
   81    HE   ARG  10           HE       ARG  10 -15.881  -1.848 -16.850
   82   1HH1  ARG  10          HH21      ARG  10 -14.033  -2.658 -14.422
   83   2HH1  ARG  10          HH22      ARG  10 -12.823  -3.557 -15.276
   84   1HH2  ARG  10          HH11      ARG  10 -14.754  -3.767 -18.194
   85   2HH2  ARG  10          HH12      ARG  10 -13.242  -4.203 -17.468
   86    H    ABA  11           HN       ABU  11 -16.239  -0.368 -10.362
   87    HA   ABA  11           HA       ABU  11 -17.220   2.186 -11.586
   88   1HB   ABA  11           HB1      ABU  11 -16.225   3.200  -9.488
   89   2HB   ABA  11           HB2      ABU  11 -15.872   1.582  -8.923
   90   1HG   ABA  11           HG1      ABU  11 -18.592   2.781  -9.496
   91   2HG   ABA  11           HG2      ABU  11 -17.989   2.182  -7.953
   92   3HG   ABA  11           HG3      ABU  11 -18.346   1.053  -9.258
   93    H    LYS  12           HN       LYS  12 -15.921   2.836 -13.144
   94    HA   LYS  12           HA       LYS  12 -13.204   2.084 -13.448
   95   1HB   LYS  12           HB1      LYS  12 -13.204   4.052 -15.105
   96   2HB   LYS  12           HB2      LYS  12 -14.859   4.364 -14.593
   97   1HG   LYS  12           HG1      LYS  12 -15.455   2.013 -15.215
   98   2HG   LYS  12           HG2      LYS  12 -13.814   1.778 -15.798
   99   1HD   LYS  12           HD1      LYS  12 -15.251   2.348 -17.693
  100   2HD   LYS  12           HD2      LYS  12 -14.139   3.676 -17.396
  101   1HE   LYS  12           HE1      LYS  12 -15.807   5.091 -16.683
  102   2HE   LYS  12           HE2      LYS  12 -16.736   3.798 -15.939
  103   1HZ   LYS  12           HZ1      LYS  12 -17.761   3.275 -17.884
  104   2HZ   LYS  12           HZ2      LYS  12 -16.497   3.858 -18.856
  105   3HZ   LYS  12           HZ3      LYS  12 -17.558   4.947 -18.101
  106    H    LYS  13           HN       LYS  13 -14.230   3.782 -10.938
  107    HA   LYS  13           HA       LYS  13 -11.705   5.329 -10.828
  108   1HB   LYS  13           HB1      LYS  13 -13.197   7.155  -9.636
  109   2HB   LYS  13           HB2      LYS  13 -14.528   6.350 -10.463
  110   1HG   LYS  13           HG1      LYS  13 -13.319   6.645 -12.628
  111   2HG   LYS  13           HG2      LYS  13 -12.052   7.522 -11.778
  112   1HD   LYS  13           HD1      LYS  13 -13.868   9.106 -10.943
  113   2HD   LYS  13           HD2      LYS  13 -14.964   8.317 -12.073
  114   1HE   LYS  13           HE1      LYS  13 -12.321   9.570 -12.885
  115   2HE   LYS  13           HE2      LYS  13 -13.867  10.398 -12.993
  116   1HZ   LYS  13           HZ1      LYS  13 -12.877   8.112 -14.540
  117   2HZ   LYS  13           HZ2      LYS  13 -13.667   9.517 -15.073
  118   3HZ   LYS  13           HZ3      LYS  13 -14.550   8.287 -14.302
  119    HA   PRO  14           HA       PRO  14 -11.446   3.680  -6.709
  120   1HB   PRO  14           HB1      PRO  14  -9.368   4.556  -6.208
  121   2HB   PRO  14           HB2      PRO  14 -10.197   5.924  -5.465
  122   1HG   PRO  14           HG1      PRO  14  -8.559   6.049  -7.764
  123   2HG   PRO  14           HG2      PRO  14  -9.672   7.309  -7.230
  124   1HD   PRO  14           HD1      PRO  14 -10.878   6.919  -9.143
  125   2HD   PRO  14           HD2      PRO  14  -9.923   5.465  -9.491
  126    H    SER  15           HN       SER  15 -11.734   7.190  -6.172
  127    HA   SER  15           HA       SER  15 -13.176   7.362  -3.889
  128   1HB   SER  15           HB1      SER  15 -12.643   9.267  -5.582
  129   2HB   SER  15           HB2      SER  15 -14.209   9.419  -4.761
  130    HG   SER  15           HG1      SER  15 -14.076   9.472  -7.216
  131    H    MET  16           HN       MET  16 -14.554   6.386  -6.987
  132    HA   MET  16           HA       MET  16 -17.249   6.193  -5.966
  133   1HB   MET  16           HB1      MET  16 -17.423   4.642  -8.098
  134   2HB   MET  16           HB2      MET  16 -15.775   5.180  -8.411
  135   1HG   MET  16           HG1      MET  16 -16.692   7.557  -8.020
  136   2HG   MET  16           HG2      MET  16 -18.272   6.845  -8.203
  137   1HE   MET  16           HE1      MET  16 -18.736   6.032 -11.787
  138   2HE   MET  16           HE2      MET  16 -19.408   6.235 -10.169
  139   3HE   MET  16           HE3      MET  16 -18.298   4.906 -10.501
  140    H    LEU  17           HN       LEU  17 -14.797   3.700  -6.769
  141    HA   LEU  17           HA       LEU  17 -16.335   1.570  -5.609
  142   1HB   LEU  17           HB1      LEU  17 -13.297   1.625  -5.789
  143   2HB   LEU  17           HB2      LEU  17 -14.268   1.486  -7.235
  144    HG   LEU  17           HG       LEU  17 -13.507  -0.741  -6.358
  145   1HD1  LEU  17          HD11      LEU  17 -13.702   0.026  -3.916
  146   2HD1  LEU  17          HD12      LEU  17 -14.236  -1.608  -4.281
  147   3HD1  LEU  17          HD13      LEU  17 -15.417  -0.331  -4.053
  148   1HD2  LEU  17          HD21      LEU  17 -15.491  -1.862  -6.853
  149   2HD2  LEU  17          HD22      LEU  17 -15.807  -0.287  -7.559
  150   3HD2  LEU  17          HD23      LEU  17 -16.500  -0.702  -6.004
  151    H    LYS  18           HN       LYS  18 -13.421   3.247  -4.487
  152    HA   LYS  18           HA       LYS  18 -12.989   2.270  -2.007
  153   1HB   LYS  18           HB1      LYS  18 -13.157   5.206  -2.827
  154   2HB   LYS  18           HB2      LYS  18 -11.724   4.184  -2.843
  155   1HG   LYS  18           HG1      LYS  18 -12.484   3.914  -0.245
  156   2HG   LYS  18           HG2      LYS  18 -13.046   5.546  -0.564
  157   1HD   LYS  18           HD1      LYS  18 -10.234   4.509  -1.054
  158   2HD   LYS  18           HD2      LYS  18 -10.719   5.582   0.253
  159   1HE   LYS  18           HE1      LYS  18 -10.506   6.165  -2.692
  160   2HE   LYS  18           HE2      LYS  18  -9.915   7.107  -1.332
  161   1HZ   LYS  18           HZ1      LYS  18 -11.886   8.044  -2.490
  162   2HZ   LYS  18           HZ2      LYS  18 -12.091   7.821  -0.819
  163   3HZ   LYS  18           HZ3      LYS  18 -12.794   6.729  -1.914
  164    H    LYS  19           HN       LYS  19 -15.518   4.696  -2.696
  165    HA   LYS  19           HA       LYS  19 -16.491   4.657   0.008
  166   1HB   LYS  19           HB1      LYS  19 -18.630   5.517  -1.559
  167   2HB   LYS  19           HB2      LYS  19 -17.251   5.896  -2.581
  168   1HG   LYS  19           HG1      LYS  19 -17.467   6.725   0.335
  169   2HG   LYS  19           HG2      LYS  19 -17.895   7.765  -1.016
  170   1HD   LYS  19           HD1      LYS  19 -15.615   7.618  -1.900
  171   2HD   LYS  19           HD2      LYS  19 -15.171   6.492  -0.624
  172   1HE   LYS  19           HE1      LYS  19 -15.503   8.179   1.079
  173   2HE   LYS  19           HE2      LYS  19 -16.214   9.287  -0.086
  174   1HZ   LYS  19           HZ1      LYS  19 -13.783   8.665  -1.149
  175   2HZ   LYS  19           HZ2      LYS  19 -13.469   8.804   0.513
  176   3HZ   LYS  19           HZ3      LYS  19 -14.182  10.096  -0.327
  177    H    HIS  20           HN       HIS  20 -17.384   3.007  -2.970
  178    HA   HIS  20           HA       HIS  20 -19.802   1.832  -2.076
  179   1HB   HIS  20           HB1      HIS  20 -17.677   0.742  -3.969
  180   2HB   HIS  20           HB2      HIS  20 -19.082   1.683  -4.446
  181    HD1  HIS  20           HD1      HIS  20 -21.025   0.217  -4.990
  182    HD2  HIS  20           HD2      HIS  20 -18.340  -1.785  -2.681
  183    HE1  HIS  20           HE1      HIS  20 -21.892  -2.067  -4.814
  184    H    ILE  21           HN       ILE  21 -16.468   0.553  -1.945
  185    HA   ILE  21           HA       ILE  21 -17.242  -1.843  -0.626
  186    HB   ILE  21           HB       ILE  21 -14.911  -1.078  -1.702
  187   1HG1  ILE  21          HG11      ILE  21 -15.510  -3.038   0.498
  188   2HG1  ILE  21          HG12      ILE  21 -13.845  -2.842  -0.033
  189   1HG2  ILE  21          HG21      ILE  21 -14.674   0.604   0.298
  190   2HG2  ILE  21          HG22      ILE  21 -13.278  -0.384  -0.072
  191   3HG2  ILE  21          HG23      ILE  21 -14.320  -0.803   1.282
  192   1HD1  ILE  21           HD1      ILE  21 -16.205  -3.511  -1.830
  193   2HD1  ILE  21           HD2      ILE  21 -14.958  -4.635  -1.311
  194   3HD1  ILE  21           HD3      ILE  21 -14.546  -3.293  -2.372
  195    NH1  ARG  22           NH1      ARG  22 -13.066   5.770   4.797
  196    NH2  ARG  22           NH2      ARG  22 -15.063   6.832   5.119
  197    H    ARG  22           HN       ARG  22 -16.623   1.371   0.581
  198    HA   ARG  22           HA       ARG  22 -16.433   0.567   3.363
  199   1HB   ARG  22           HB1      ARG  22 -17.105   3.075   3.682
  200   2HB   ARG  22           HB2      ARG  22 -17.063   3.181   1.927
  201   1HG   ARG  22           HG1      ARG  22 -14.726   2.362   1.934
  202   2HG   ARG  22           HG2      ARG  22 -14.769   2.262   3.691
  203   1HD   ARG  22           HD1      ARG  22 -15.404   4.845   2.254
  204   2HD   ARG  22           HD2      ARG  22 -13.746   4.404   2.657
  205    HE   ARG  22           HE       ARG  22 -15.613   4.248   4.914
  206   1HH1  ARG  22          HH11      ARG  22 -12.567   4.953   4.506
  207   2HH1  ARG  22          HH12      ARG  22 -12.566   6.571   5.123
  208   1HH2  ARG  22          HH21      ARG  22 -16.061   6.811   5.069
  209   2HH2  ARG  22          HH22      ARG  22 -14.596   7.651   5.450
  210    H    THR  23           HN       THR  23 -19.046   1.006   1.153
  211    HA   THR  23           HA       THR  23 -21.088   1.531   3.099
  212    HB   THR  23           HB       THR  23 -21.527  -0.013   0.475
  213    HG1  THR  23           HG1      THR  23 -20.117   1.699   0.095
  214   1HG2  THR  23          HG21      THR  23 -23.243   2.246   0.738
  215   2HG2  THR  23          HG22      THR  23 -23.206   1.565   2.358
  216   3HG2  THR  23          HG23      THR  23 -23.726   0.577   1.004
  217    H    HIS  24           HN       HIS  24 -19.478  -1.396   2.075
  218    HA   HIS  24           HA       HIS  24 -21.497  -3.201   3.151
  219   1HB   HIS  24           HB1      HIS  24 -19.473  -4.856   3.050
  220   2HB   HIS  24           HB2      HIS  24 -18.568  -3.519   2.346
  221    HD1  HIS  24           HD1      HIS  24 -21.868  -5.191   1.603
  222    HD2  HIS  24           HD2      HIS  24 -18.730  -3.491  -0.351
  223    HE1  HIS  24           HE1      HIS  24 -22.366  -5.436  -0.808
  224    H    THR  25           HN       THR  25 -20.149  -0.971   4.817
  225    HA   THR  25           HA       THR  25 -19.011  -2.623   6.997
  226    HB   THR  25           HB       THR  25 -18.541  -0.279   7.966
  227    HG1  THR  25           HG1      THR  25 -18.962   1.280   6.123
  228   1HG2  THR  25          HG21      THR  25 -17.710  -0.975   5.115
  229   2HG2  THR  25          HG22      THR  25 -16.703  -1.004   6.558
  230   3HG2  THR  25          HG23      THR  25 -17.180   0.535   5.851
  231    H    ASP  26           HN       ASP  26 -20.484   0.263   7.916
  232    HA   ASP  26           HA       ASP  26 -23.091  -0.876   8.556
  233   1HB   ASP  26           HB1      ASP  26 -22.627  -0.297  11.085
  234   2HB   ASP  26           HB2      ASP  26 -20.925  -0.410  10.643
  235    H    VAL  27           HN       VAL  27 -21.881   1.328   7.137
  236    HA   VAL  27           HA       VAL  27 -22.818   3.661   8.732
  237    HB   VAL  27           HB       VAL  27 -20.557   3.765   7.719
  238   1HG1  VAL  27          HG11      VAL  27 -21.089   2.216   5.817
  239   2HG1  VAL  27          HG12      VAL  27 -20.233   3.664   5.312
  240   3HG1  VAL  27          HG13      VAL  27 -21.964   3.523   5.042
  241   1HG2  VAL  27          HG21      VAL  27 -22.580   5.694   7.469
  242   2HG2  VAL  27          HG22      VAL  27 -21.796   5.673   5.894
  243   3HG2  VAL  27          HG23      VAL  27 -20.847   5.980   7.344
  244    NH1  ARG  28           NH1      ARG  28 -25.967  -1.683   1.587
  245    NH2  ARG  28           NH2      ARG  28 -24.270  -2.765   2.670
  246    H    ARG  28           HN       ARG  28 -24.821   2.012   7.797
  247    HA   ARG  28           HA       ARG  28 -26.031   3.592   5.568
  248   1HB   ARG  28           HB1      ARG  28 -27.475   1.483   5.323
  249   2HB   ARG  28           HB2      ARG  28 -26.374   0.710   6.453
  250   1HG   ARG  28           HG1      ARG  28 -24.534   1.636   4.783
  251   2HG   ARG  28           HG2      ARG  28 -25.877   1.635   3.645
  252   1HD   ARG  28           HD1      ARG  28 -26.328  -0.778   4.401
  253   2HD   ARG  28           HD2      ARG  28 -24.751  -0.718   5.188
  254    HE   ARG  28           HE       ARG  28 -24.043   0.035   2.712
  255   1HH1  ARG  28          HH11      ARG  28 -26.489  -0.843   1.435
  256   2HH1  ARG  28          HH12      ARG  28 -26.203  -2.516   1.084
  257   1HH2  ARG  28          HH21      ARG  28 -23.520  -2.736   3.329
  258   2HH2  ARG  28          HH22      ARG  28 -24.478  -3.615   2.185
  259    HA   PRO  29           HA       PRO  29 -28.541   4.458   9.365
  260   1HB   PRO  29           HB1      PRO  29 -28.263   6.727   9.596
  261   2HB   PRO  29           HB2      PRO  29 -29.266   7.007   8.173
  262   1HG   PRO  29           HG1      PRO  29 -26.369   7.223   8.400
  263   2HG   PRO  29           HG2      PRO  29 -27.383   7.620   7.013
  264   1HD   PRO  29           HD1      PRO  29 -26.780   5.696   5.954
  265   2HD   PRO  29           HD2      PRO  29 -25.626   5.385   7.261
  266    OH   TYR  30           OH       TYR  30 -30.447  10.478   3.891
  267    H    TYR  30           HN       TYR  30 -29.287   4.936   5.950
  268    HA   TYR  30           HA       TYR  30 -32.160   5.077   6.324
  269   1HB   TYR  30           HB1      TYR  30 -32.172   4.597   3.821
  270   2HB   TYR  30           HB2      TYR  30 -30.431   4.348   3.906
  271    HD1  TYR  30           HD1      TYR  30 -33.047   6.879   4.778
  272    HD2  TYR  30           HD2      TYR  30 -29.001   6.195   3.659
  273    HE1  TYR  30           HE1      TYR  30 -32.694   9.297   4.572
  274    HE2  TYR  30           HE2      TYR  30 -28.648   8.612   3.455
  275    HH   TYR  30           HH       TYR  30 -29.561  10.674   4.203
  276    H    HIS  31           HN       HIS  31 -33.409   3.442   6.983
  277    HA   HIS  31           HA       HIS  31 -32.687   0.657   6.127
  278   1HB   HIS  31           HB1      HIS  31 -33.525  -0.130   8.333
  279   2HB   HIS  31           HB2      HIS  31 -33.924   1.524   8.785
  280    HD1  HIS  31           HD1      HIS  31 -30.897  -0.422   7.892
  281    HD2  HIS  31           HD2      HIS  31 -31.891   2.893  10.001
  282    HE1  HIS  31           HE1      HIS  31 -28.834   0.275   8.965
  283    H    CYS  32           HN       CYS  32 -34.332  -0.600   5.328
  284    HA   CYS  32           HA       CYS  32 -36.771   0.712   4.545
  285   1HB   CYS  32           HB1      CYS  32 -35.843  -2.176   4.612
  286   2HB   CYS  32           HB2      CYS  32 -36.090  -1.158   3.217
  287    H    THR  33           HN       THR  33 -38.756   0.763   5.477
  288    HA   THR  33           HA       THR  33 -38.977   0.306   8.294
  289    HB   THR  33           HB       THR  33 -41.272   0.523   6.252
  290    HG1  THR  33           HG1      THR  33 -40.884   2.812   7.090
  291   1HG2  THR  33          HG21      THR  33 -42.575   1.221   8.107
  292   2HG2  THR  33          HG22      THR  33 -41.174   1.849   8.968
  293   3HG2  THR  33          HG23      THR  33 -41.495   0.118   8.954
  294    OH   TYR  34           OH       TYR  34 -44.987  -0.087   4.039
  295    H    TYR  34           HN       TYR  34 -39.427  -1.754   5.573
  296    HA   TYR  34           HA       TYR  34 -40.857  -3.765   7.230
  297   1HB   TYR  34           HB1      TYR  34 -41.324  -4.892   5.105
  298   2HB   TYR  34           HB2      TYR  34 -40.167  -3.878   4.257
  299    HD1  TYR  34           HD2      TYR  34 -40.636  -1.286   4.326
  300    HD2  TYR  34           HD1      TYR  34 -43.582  -4.234   5.187
  301    HE1  TYR  34           HE2      TYR  34 -42.401   0.353   3.896
  302    HE2  TYR  34           HE1      TYR  34 -45.348  -2.592   4.736
  303    HH   TYR  34           HH       TYR  34 -44.692   0.764   4.370
  304    H    CYS  35           HN       CYS  35 -38.436  -4.174   4.656
  305    HA   CYS  35           HA       CYS  35 -37.315  -6.538   5.759
  306   1HB   CYS  35           HB1      CYS  35 -35.466  -6.182   4.231
  307   2HB   CYS  35           HB2      CYS  35 -35.761  -4.471   4.171
  308    H    ASN  36           HN       ASN  36 -34.614  -6.136   5.807
  309    HA   ASN  36           HA       ASN  36 -34.191  -4.398   8.201
  310   1HB   ASN  36           HB1      ASN  36 -33.081  -7.193   7.605
  311   2HB   ASN  36           HB2      ASN  36 -34.220  -6.786   8.885
  312   1HD2  ASN  36          HD21      ASN  36 -33.401  -5.423  10.681
  313   2HD2  ASN  36          HD22      ASN  36 -31.738  -5.363  11.013
  314    H    PHE  37           HN       PHE  37 -33.550  -4.823   5.059
  315    HA   PHE  37           HA       PHE  37 -30.687  -4.546   4.939
  316   1HB   PHE  37           HB1      PHE  37 -32.593  -3.445   2.848
  317   2HB   PHE  37           HB2      PHE  37 -32.439  -5.186   3.066
  318    HD1  PHE  37           HD2      PHE  37 -30.094  -6.215   2.902
  319    HD2  PHE  37           HD1      PHE  37 -30.935  -2.230   1.654
  320    HE1  PHE  37           HE2      PHE  37 -28.028  -6.191   1.574
  321    HE2  PHE  37           HE1      PHE  37 -28.867  -2.213   0.328
  322    HZ   PHE  37           HZ       PHE  37 -27.414  -4.192   0.288
  323    H    SER  38           HN       SER  38 -29.556  -2.618   4.181
  324    HA   SER  38           HA       SER  38 -30.925  -0.081   4.832
  325   1HB   SER  38           HB1      SER  38 -28.160  -0.656   5.941
  326   2HB   SER  38           HB2      SER  38 -29.606  -1.114   6.851
  327    HG   SER  38           HG1      SER  38 -30.330   1.001   6.708
  328    H    PHE  39           HN       PHE  39 -30.068   1.734   3.861
  329    HA   PHE  39           HA       PHE  39 -27.953   1.202   1.811
  330   1HB   PHE  39           HB1      PHE  39 -29.204   2.519   0.275
  331   2HB   PHE  39           HB2      PHE  39 -30.110   3.311   1.562
  332    HD1  PHE  39           HD2      PHE  39 -31.763   1.911   2.918
  333    HD2  PHE  39           HD1      PHE  39 -30.031   0.502  -0.710
  334    HE1  PHE  39           HE2      PHE  39 -33.555   0.245   2.704
  335    HE2  PHE  39           HE1      PHE  39 -31.829  -1.158  -0.919
  336    HZ   PHE  39           HZ       PHE  39 -33.593  -1.285   0.785
  337    H    LYS  40           HN       LYS  40 -26.666   3.035   1.205
  338    HA   LYS  40           HA       LYS  40 -26.006   4.711   3.523
  339   1HB   LYS  40           HB1      LYS  40 -24.776   4.246   0.769
  340   2HB   LYS  40           HB2      LYS  40 -24.166   3.688   2.311
  341   1HG   LYS  40           HG1      LYS  40 -24.280   6.597   1.415
  342   2HG   LYS  40           HG2      LYS  40 -22.839   5.601   1.502
  343   1HD   LYS  40           HD1      LYS  40 -23.330   5.268   3.967
  344   2HD   LYS  40           HD2      LYS  40 -24.565   6.510   3.818
  345   1HE   LYS  40           HE1      LYS  40 -21.620   6.846   3.167
  346   2HE   LYS  40           HE2      LYS  40 -22.443   7.507   4.573
  347   1HZ   LYS  40           HZ1      LYS  40 -23.952   8.633   2.890
  348   2HZ   LYS  40           HZ2      LYS  40 -22.766   8.253   1.737
  349   3HZ   LYS  40           HZ3      LYS  40 -22.377   9.245   3.059
  350    H    THR  41           HN       THR  41 -27.816   4.985   0.635
  351    HA   THR  41           HA       THR  41 -27.973   7.945   1.057
  352    HB   THR  41           HB       THR  41 -27.900   8.308  -1.340
  353    HG1  THR  41           HG1      THR  41 -28.393   6.637  -2.692
  354   1HG2  THR  41          HG21      THR  41 -26.191   5.779  -1.010
  355   2HG2  THR  41          HG22      THR  41 -25.666   7.327  -0.357
  356   3HG2  THR  41          HG23      THR  41 -25.880   7.132  -2.093
  357    H    LYS  42           HN       LYS  42 -29.926   8.927   0.410
  358    HA   LYS  42           HA       LYS  42 -32.233   7.330   1.058
  359   1HB   LYS  42           HB1      LYS  42 -32.206  10.128  -0.144
  360   2HB   LYS  42           HB2      LYS  42 -31.856   9.840   1.554
  361   1HG   LYS  42           HG1      LYS  42 -34.039   8.970   1.965
  362   2HG   LYS  42           HG2      LYS  42 -34.376   8.792   0.247
  363   1HD   LYS  42           HD1      LYS  42 -33.674  11.534   1.151
  364   2HD   LYS  42           HD2      LYS  42 -35.225  10.917   1.708
  365   1HE   LYS  42           HE1      LYS  42 -35.247  12.139  -0.545
  366   2HE   LYS  42           HE2      LYS  42 -35.992  10.546  -0.525
  367   1HZ   LYS  42           HZ1      LYS  42 -34.547  10.822  -2.430
  368   2HZ   LYS  42           HZ2      LYS  42 -33.951   9.610  -1.401
  369   3HZ   LYS  42           HZ3      LYS  42 -33.226  11.146  -1.414
  370    H    GLY  43           HN       GLY  43 -30.622   8.286  -1.833
  371   1HA   GLY  43           HA1      GLY  43 -31.074   7.772  -4.080
  372   2HA   GLY  43           HA2      GLY  43 -32.750   8.170  -3.706
  373    H    ASN  44           HN       ASN  44 -30.510   5.577  -2.753
  374    HA   ASN  44           HA       ASN  44 -31.790   3.510  -4.171
  375   1HB   ASN  44           HB1      ASN  44 -30.713   2.040  -2.320
  376   2HB   ASN  44           HB2      ASN  44 -30.150   3.547  -1.607
  377   1HD2  ASN  44          HD21      ASN  44 -27.900   3.122  -2.078
  378   2HD2  ASN  44          HD22      ASN  44 -27.295   3.140  -3.664
  379    H    LEU  45           HN       LEU  45 -32.506   4.932  -1.046
  380    HA   LEU  45           HA       LEU  45 -34.252   2.942  -0.039
  381   1HB   LEU  45           HB1      LEU  45 -34.781   5.924   0.246
  382   2HB   LEU  45           HB2      LEU  45 -33.367   5.216   1.003
  383    HG   LEU  45           HG       LEU  45 -35.310   5.336   2.564
  384   1HD1  LEU  45          HD11      LEU  45 -37.337   4.154   2.192
  385   2HD1  LEU  45          HD12      LEU  45 -36.671   3.235   0.851
  386   3HD1  LEU  45          HD13      LEU  45 -37.005   4.950   0.660
  387   1HD2  LEU  45          HD21      LEU  45 -34.778   3.336   3.573
  388   2HD2  LEU  45          HD22      LEU  45 -33.528   3.323   2.339
  389   3HD2  LEU  45          HD23      LEU  45 -34.999   2.397   2.105
  390    H    THR  46           HN       THR  46 -35.151   5.953  -1.729
  391    HA   THR  46           HA       THR  46 -37.866   5.324  -2.115
  392    HB   THR  46           HB       THR  46 -36.049   6.817  -4.103
  393    HG1  THR  46           HG1      THR  46 -37.119   8.517  -2.595
  394   1HG2  THR  46          HG21      THR  46 -38.517   6.414  -4.751
  395   2HG2  THR  46          HG22      THR  46 -38.123   8.116  -4.531
  396   3HG2  THR  46          HG23      THR  46 -38.975   7.239  -3.264
  397    H    LYS  47           HN       LYS  47 -35.027   4.291  -3.876
  398    HA   LYS  47           HA       LYS  47 -36.429   3.174  -6.128
  399   1HB   LYS  47           HB1      LYS  47 -33.805   2.107  -5.021
  400   2HB   LYS  47           HB2      LYS  47 -33.873   3.681  -5.806
  401   1HG   LYS  47           HG1      LYS  47 -35.171   1.389  -7.216
  402   2HG   LYS  47           HG2      LYS  47 -33.411   1.430  -7.194
  403   1HD   LYS  47           HD1      LYS  47 -33.385   3.642  -8.187
  404   2HD   LYS  47           HD2      LYS  47 -35.131   3.787  -8.025
  405   1HE   LYS  47           HE1      LYS  47 -34.132   3.075 -10.340
  406   2HE   LYS  47           HE2      LYS  47 -35.550   2.230  -9.731
  407   1HZ   LYS  47           HZ1      LYS  47 -33.820   0.732 -10.565
  408   2HZ   LYS  47           HZ2      LYS  47 -34.165   0.471  -8.923
  409   3HZ   LYS  47           HZ3      LYS  47 -32.755   1.305  -9.372
  410    H    HIS  48           HN       HIS  48 -35.225   1.752  -3.097
  411    HA   HIS  48           HA       HIS  48 -36.035  -0.922  -3.684
  412   1HB   HIS  48           HB1      HIS  48 -35.707   0.577  -1.039
  413   2HB   HIS  48           HB2      HIS  48 -34.533  -0.490  -1.805
  414    HD1  HIS  48           HD1      HIS  48 -35.950  -2.951  -2.284
  415    HD2  HIS  48           HD2      HIS  48 -36.898  -0.769   1.040
  416    HE1  HIS  48           HE1      HIS  48 -37.021  -4.532  -0.754
  417    H    MET  49           HN       MET  49 -37.746   1.776  -2.175
  418    HA   MET  49           HA       MET  49 -40.104   0.148  -1.619
  419   1HB   MET  49           HB1      MET  49 -41.092   2.573  -1.286
  420   2HB   MET  49           HB2      MET  49 -39.427   3.106  -1.481
  421   1HG   MET  49           HG1      MET  49 -38.781   1.454   0.304
  422   2HG   MET  49           HG2      MET  49 -40.477   1.139   0.558
  423   1HE   MET  49           HE1      MET  49 -38.387   2.310   3.191
  424   2HE   MET  49           HE2      MET  49 -39.653   1.171   2.739
  425   3HE   MET  49           HE3      MET  49 -40.029   2.535   3.790
  426    H    LYS  50           HN       LYS  50 -38.864   1.804  -4.331
  427    HA   LYS  50           HA       LYS  50 -41.300   2.554  -5.623
  428   1HB   LYS  50           HB1      LYS  50 -38.751   1.555  -6.978
  429   2HB   LYS  50           HB2      LYS  50 -38.902   3.175  -6.309
  430   1HG   LYS  50           HG1      LYS  50 -40.764   3.673  -7.800
  431   2HG   LYS  50           HG2      LYS  50 -40.788   2.014  -8.385
  432   1HD   LYS  50           HD1      LYS  50 -38.599   2.271  -9.396
  433   2HD   LYS  50           HD2      LYS  50 -38.390   3.853  -8.654
  434   1HE   LYS  50           HE1      LYS  50 -40.623   3.191 -10.598
  435   2HE   LYS  50           HE2      LYS  50 -39.104   3.936 -11.078
  436   1HZ   LYS  50           HZ1      LYS  50 -41.380   5.159 -10.005
  437   2HZ   LYS  50           HZ2      LYS  50 -39.927   5.883 -10.505
  438   3HZ   LYS  50           HZ3      LYS  50 -40.106   5.359  -8.900
  439    H    SER  51           HN       SER  51 -39.441  -0.455  -5.632
  440    HA   SER  51           HA       SER  51 -40.882  -1.838  -7.629
  441   1HB   SER  51           HB1      SER  51 -39.718  -2.959  -5.018
  442   2HB   SER  51           HB2      SER  51 -38.815  -2.744  -6.531
  443    HG   SER  51           HG1      SER  51 -40.988  -4.448  -5.968
  444    H    LYS  52           HN       LYS  52 -42.250  -3.881  -6.963
  445    HA   LYS  52           HA       LYS  52 -44.577  -2.771  -5.510
  446   1HB   LYS  52           HB1      LYS  52 -45.359  -3.798  -7.466
  447   2HB   LYS  52           HB2      LYS  52 -45.470  -5.166  -6.365
  448   1HG   LYS  52           HG1      LYS  52 -43.101  -5.780  -7.064
  449   2HG   LYS  52           HG2      LYS  52 -43.239  -4.559  -8.323
  450   1HD   LYS  52           HD1      LYS  52 -45.319  -5.723  -9.136
  451   2HD   LYS  52           HD2      LYS  52 -45.009  -6.999  -7.964
  452   1HE   LYS  52           HE1      LYS  52 -43.360  -6.220 -10.370
  453   2HE   LYS  52           HE2      LYS  52 -44.006  -7.802  -9.954
  454   1HZ   LYS  52           HZ1      LYS  52 -41.671  -6.402  -8.861
  455   2HZ   LYS  52           HZ2      LYS  52 -41.827  -8.019  -9.360
  456   3HZ   LYS  52           HZ3      LYS  52 -42.498  -7.519  -7.883
  457    H    ALA  53           HN       ALA  53 -41.902  -4.325  -4.575
  458    HA   ALA  53           HA       ALA  53 -42.528  -6.613  -3.159
  459   1HB   ALA  53           HB1      ALA  53 -40.880  -5.741  -1.403
  460   2HB   ALA  53           HB2      ALA  53 -40.888  -4.198  -2.251
  461   3HB   ALA  53           HB3      ALA  53 -40.280  -5.641  -3.055
  462    H    HIS  54           HN       HIS  54 -42.236  -3.825  -1.069
  463    HA   HIS  54           HA       HIS  54 -45.039  -4.196  -0.153
  464   1HB   HIS  54           HB1      HIS  54 -44.014  -5.527   1.488
  465   2HB   HIS  54           HB2      HIS  54 -43.895  -3.950   2.257
  466    HD1  HIS  54           HD1      HIS  54 -41.821  -6.560   0.807
  467    HD2  HIS  54           HD2      HIS  54 -41.252  -2.735   2.133
  468    HE1  HIS  54           HE1      HIS  54 -39.403  -6.327   1.117
  469    H    SER  55           HN       SER  55 -45.086  -2.138  -1.363
  470    HA   SER  55           HA       SER  55 -45.122   0.066   0.457
  471   1HB   SER  55           HB1      SER  55 -42.788  -0.091  -1.523
  472   2HB   SER  55           HB2      SER  55 -42.695   0.146   0.233
  473    HG   SER  55           HG1      SER  55 -43.303   2.165   0.008
  474    H    LYS  56           HN       LYS  56 -47.087   0.597  -0.356
  475    HA   LYS  56           HA       LYS  56 -47.966   0.517  -3.002
  476   1HB   LYS  56           HB1      LYS  56 -49.498   2.452  -2.292
  477   2HB   LYS  56           HB2      LYS  56 -48.599   2.514  -0.781
  478   1HG   LYS  56           HG1      LYS  56 -50.098   0.970  -0.045
  479   2HG   LYS  56           HG2      LYS  56 -49.165  -0.176  -1.000
  480   1HD   LYS  56           HD1      LYS  56 -50.627   0.276  -2.955
  481   2HD   LYS  56           HD2      LYS  56 -51.571   1.398  -1.981
  482   1HE   LYS  56           HE1      LYS  56 -52.597  -0.888  -2.106
  483   2HE   LYS  56           HE2      LYS  56 -52.221  -0.393  -0.460
  484   1HZ   LYS  56           HZ1      LYS  56 -50.197  -1.676  -0.552
  485   2HZ   LYS  56           HZ2      LYS  56 -50.516  -2.126  -2.158
  486   3HZ   LYS  56           HZ3      LYS  56 -51.532  -2.664  -0.908
  487    H    LYS  57           HN       LYS  57 -47.225   3.653  -1.533
  488    HA   LYS  57           HA       LYS  57 -46.706   4.875  -4.048
  489   1HB   LYS  57           HB1      LYS  57 -45.671   5.769  -1.319
  490   2HB   LYS  57           HB2      LYS  57 -47.321   6.052  -1.866
  491   1HG   LYS  57           HG1      LYS  57 -46.309   7.182  -3.924
  492   2HG   LYS  57           HG2      LYS  57 -44.759   7.112  -3.095
  493   1HD   LYS  57           HD1      LYS  57 -45.595   8.470  -1.272
  494   2HD   LYS  57           HD2      LYS  57 -47.240   8.382  -1.892
  495   1HE   LYS  57           HE1      LYS  57 -44.895   9.664  -3.334
  496   2HE   LYS  57           HE2      LYS  57 -46.159  10.540  -2.479
  497   1HZ   LYS  57           HZ1      LYS  57 -47.274  10.520  -4.371
  498   2HZ   LYS  57           HZ2      LYS  57 -47.491   8.847  -4.169
  499   3HZ   LYS  57                 LYS  57 -46.191   9.429  -5.094
   
  Start of MODEL           8
 Raw file had 499 H/Q atoms
  Start of MODEL    8
    1   1H    LYS   1           HT1      LYS   1  -7.526  -3.312 -10.722
    2   2H    LYS   1           HT2      LYS   1  -8.410  -2.149  -9.855
    3   3H    LYS   1           HT3      LYS   1  -8.824  -2.505 -11.463
    4    HA   LYS   1           HA       LYS   1  -9.868  -4.426 -10.961
    5   1HB   LYS   1           HB1      LYS   1  -8.017  -5.606  -9.922
    6   2HB   LYS   1           HB2      LYS   1  -9.320  -5.631  -8.740
    7   1HG   LYS   1           HG1      LYS   1  -8.192  -3.344  -7.962
    8   2HG   LYS   1           HG2      LYS   1  -6.771  -4.050  -8.722
    9   1HD   LYS   1           HD1      LYS   1  -7.042  -6.086  -7.341
   10   2HD   LYS   1           HD2      LYS   1  -8.463  -5.380  -6.578
   11   1HE   LYS   1           HE1      LYS   1  -7.028  -3.460  -5.821
   12   2HE   LYS   1           HE2      LYS   1  -5.626  -4.309  -6.459
   13   1HZ   LYS   1           HZ1      LYS   1  -6.390  -4.556  -3.972
   14   2HZ   LYS   1           HZ2      LYS   1  -5.685  -5.846  -4.821
   15   3HZ   LYS   1           HZ3      LYS   1  -7.371  -5.773  -4.636
   16    OH   TYR   2           OH       TYR   2  -7.360   2.288  -8.710
   17    H    TYR   2           HN       TYR   2 -11.029  -2.113 -10.681
   18    HA   TYR   2           HA       TYR   2 -12.031  -1.837  -7.902
   19   1HB   TYR   2           HB1      TYR   2 -13.116   0.205  -8.754
   20   2HB   TYR   2           HB2      TYR   2 -12.688  -0.219 -10.409
   21    HD1  TYR   2           HD2      TYR   2 -11.260   0.655  -7.093
   22    HD2  TYR   2           HD1      TYR   2 -10.514   0.283 -11.263
   23    HE1  TYR   2           HE2      TYR   2  -9.104   1.784  -6.809
   24    HE2  TYR   2           HE1      TYR   2  -8.347   1.391 -10.974
   25    HH   TYR   2           HH       TYR   2  -7.524   3.225  -8.581
   26    H    ILE   3           HN       ILE   3 -12.957  -4.098  -8.379
   27    HA   ILE   3           HA       ILE   3 -15.783  -3.708  -9.251
   28    HB   ILE   3           HB       ILE   3 -14.206  -6.270  -9.738
   29   1HG1  ILE   3          HG11      ILE   3 -13.048  -4.507 -10.966
   30   2HG1  ILE   3          HG12      ILE   3 -14.572  -3.907 -11.612
   31   1HG2  ILE   3          HG21      ILE   3 -16.060  -6.823 -11.166
   32   2HG2  ILE   3          HG22      ILE   3 -16.589  -5.147 -11.272
   33   3HG2  ILE   3          HG23      ILE   3 -16.824  -6.053  -9.779
   34   1HD1  ILE   3           HD1      ILE   3 -14.888  -5.832 -12.963
   35   2HD1  ILE   3           HD2      ILE   3 -13.714  -6.773 -12.048
   36   3HD1  ILE   3           HD3      ILE   3 -13.168  -5.487 -13.121
   37    H    CYS   4           HN       CYS   4 -16.868  -3.884  -7.359
   38    HA   CYS   4           HA       CYS   4 -15.894  -5.328  -5.118
   39   1HB   CYS   4           HB1      CYS   4 -18.736  -4.599  -5.880
   40   2HB   CYS   4           HB2      CYS   4 -17.667  -3.664  -4.870
   41    H    GLU   5           HN       GLU   5 -15.413  -7.392  -5.209
   42    HA   GLU   5           HA       GLU   5 -16.578  -9.312  -6.919
   43   1HB   GLU   5           HB1      GLU   5 -15.653 -10.943  -5.067
   44   2HB   GLU   5           HB2      GLU   5 -15.036  -9.478  -4.312
   45   1HG   GLU   5           HG1      GLU   5 -14.029  -8.934  -6.640
   46   2HG   GLU   5           HG2      GLU   5 -14.337 -10.627  -7.020
   47    H    GLU   6           HN       GLU   6 -17.764  -7.976  -3.974
   48    HA   GLU   6           HA       GLU   6 -19.505 -10.214  -3.370
   49   1HB   GLU   6           HB1      GLU   6 -19.898  -7.404  -2.328
   50   2HB   GLU   6           HB2      GLU   6 -18.532  -8.355  -1.766
   51   1HG   GLU   6           HG1      GLU   6 -21.348  -9.459  -1.726
   52   2HG   GLU   6           HG2      GLU   6 -20.711  -8.510  -0.386
   53    H    CYS   7           HN       CYS   7 -20.259  -6.813  -4.159
   54    HA   CYS   7           HA       CYS   7 -22.919  -7.629  -5.080
   55   1HB   CYS   7           HB1      CYS   7 -23.299  -5.284  -5.446
   56   2HB   CYS   7           HB2      CYS   7 -21.596  -4.941  -5.524
   57    H    GLY   8           HN       GLY   8 -20.132  -6.016  -6.574
   58   1HA   GLY   8           HA1      GLY   8 -20.982  -7.161  -9.206
   59   2HA   GLY   8           HA2      GLY   8 -19.296  -6.968  -8.740
   60    H    ILE   9           HN       ILE   9 -20.248  -4.333  -7.419
   61    HA   ILE   9           HA       ILE   9 -21.138  -2.613  -9.484
   62    HB   ILE   9           HB       ILE   9 -20.965  -2.193  -6.910
   63   1HG1  ILE   9          HG11      ILE   9 -20.466  -0.253  -9.138
   64   2HG1  ILE   9          HG12      ILE   9 -20.343   0.333  -7.483
   65   1HG2  ILE   9          HG21      ILE   9 -18.380  -2.611  -7.037
   66   2HG2  ILE   9          HG22      ILE   9 -18.905  -1.218  -6.113
   67   3HG2  ILE   9          HG23      ILE   9 -18.272  -0.999  -7.736
   68   1HD1  ILE   9           HD1      ILE   9 -22.591  -0.162  -7.004
   69   2HD1  ILE   9           HD2      ILE   9 -22.712  -1.333  -8.313
   70   3HD1  ILE   9           HD3      ILE   9 -22.679   0.390  -8.673
   71    NH1  ARG  10           NH1      ARG  10 -18.180  -1.915 -18.016
   72    NH2  ARG  10           NH2      ARG  10 -18.003  -4.186 -17.820
   73    H    ARG  10           HN       ARG  10 -20.143  -1.736 -11.173
   74    HA   ARG  10           HA       ARG  10 -17.229  -2.227 -11.479
   75   1HB   ARG  10           HB1      ARG  10 -19.342  -1.289 -13.478
   76   2HB   ARG  10           HB2      ARG  10 -18.805  -2.950 -13.290
   77   1HG   ARG  10           HG1      ARG  10 -16.427  -1.498 -13.565
   78   2HG   ARG  10           HG2      ARG  10 -17.521  -0.731 -14.708
   79   1HD   ARG  10           HD1      ARG  10 -17.026  -3.729 -14.561
   80   2HD   ARG  10           HD2      ARG  10 -16.263  -2.647 -15.722
   81    HE   ARG  10           HE       ARG  10 -19.239  -2.899 -15.616
   82   1HH1  ARG  10          HH11      ARG  10 -18.313  -1.026 -17.579
   83   2HH1  ARG  10          HH12      ARG  10 -18.053  -1.973 -19.007
   84   1HH2  ARG  10          HH21      ARG  10 -18.002  -4.998 -17.236
   85   2HH2  ARG  10          HH22      ARG  10 -17.873  -4.280 -18.807
   86    H    ABA  11           HN       ABU  11 -16.454  -0.538 -10.168
   87    HA   ABA  11           HA       ABU  11 -16.996   2.221 -11.217
   88   1HB   ABA  11           HB1      ABU  11 -16.060   2.868  -8.880
   89   2HB   ABA  11           HB2      ABU  11 -16.240   1.174  -8.465
   90   1HG   ABA  11           HG1      ABU  11 -18.247   2.512  -7.825
   91   2HG   ABA  11           HG2      ABU  11 -18.629   1.254  -8.996
   92   3HG   ABA  11           HG3      ABU  11 -18.479   2.926  -9.522
   93    H    LYS  12           HN       LYS  12 -15.380   1.597 -12.853
   94    HA   LYS  12           HA       LYS  12 -12.754   0.908 -12.578
   95   1HB   LYS  12           HB1      LYS  12 -12.335   2.733 -14.413
   96   2HB   LYS  12           HB2      LYS  12 -14.058   3.063 -14.271
   97   1HG   LYS  12           HG1      LYS  12 -14.295   0.453 -14.526
   98   2HG   LYS  12           HG2      LYS  12 -12.683   0.562 -15.224
   99   1HD   LYS  12           HD1      LYS  12 -15.111   2.136 -16.150
  100   2HD   LYS  12           HD2      LYS  12 -14.421   0.744 -16.978
  101   1HE   LYS  12           HE1      LYS  12 -13.132   3.448 -16.524
  102   2HE   LYS  12           HE2      LYS  12 -13.524   2.693 -18.063
  103   1HZ   LYS  12           HZ1      LYS  12 -11.895   0.982 -17.613
  104   2HZ   LYS  12           HZ2      LYS  12 -11.526   1.690 -16.114
  105   3HZ   LYS  12           HZ3      LYS  12 -11.176   2.519 -17.554
  106    H    LYS  13           HN       LYS  13 -14.142   3.927 -11.460
  107    HA   LYS  13           HA       LYS  13 -11.449   4.994 -10.916
  108   1HB   LYS  13           HB1      LYS  13 -12.777   7.023 -10.132
  109   2HB   LYS  13           HB2      LYS  13 -14.246   6.141 -10.527
  110   1HG   LYS  13           HG1      LYS  13 -13.319   5.842 -12.872
  111   2HG   LYS  13           HG2      LYS  13 -12.029   6.954 -12.437
  112   1HD   LYS  13           HD1      LYS  13 -14.997   7.600 -12.257
  113   2HD   LYS  13           HD2      LYS  13 -13.955   8.086 -13.588
  114   1HE   LYS  13           HE1      LYS  13 -12.513   8.966 -11.412
  115   2HE   LYS  13           HE2      LYS  13 -14.164   9.203 -10.861
  116   1HZ   LYS  13           HZ1      LYS  13 -12.744  10.850 -12.511
  117   2HZ   LYS  13           HZ2      LYS  13 -14.415  10.911 -12.224
  118   3HZ   LYS  13           HZ3      LYS  13 -13.814  10.050 -13.559
  119    HA   PRO  14           HA       PRO  14 -11.356   3.674  -6.676
  120   1HB   PRO  14           HB1      PRO  14  -9.314   4.584  -6.112
  121   2HB   PRO  14           HB2      PRO  14 -10.156   6.045  -5.593
  122   1HG   PRO  14           HG1      PRO  14  -8.386   5.845  -7.797
  123   2HG   PRO  14           HG2      PRO  14  -9.474   7.195  -7.466
  124   1HD   PRO  14           HD1      PRO  14 -10.592   6.626  -9.386
  125   2HD   PRO  14           HD2      PRO  14  -9.690   5.105  -9.510
  126    H    SER  15           HN       SER  15 -11.680   7.215  -6.458
  127    HA   SER  15           HA       SER  15 -13.191   7.588  -4.256
  128   1HB   SER  15           HB1      SER  15 -12.656   9.398  -5.947
  129   2HB   SER  15           HB2      SER  15 -14.357   9.476  -5.447
  130    HG   SER  15           HG1      SER  15 -14.922   8.307  -7.262
  131    H    MET  16           HN       MET  16 -14.609   6.505  -7.331
  132    HA   MET  16           HA       MET  16 -17.272   6.298  -6.271
  133   1HB   MET  16           HB1      MET  16 -17.466   4.664  -8.332
  134   2HB   MET  16           HB2      MET  16 -15.818   5.168  -8.684
  135   1HG   MET  16           HG1      MET  16 -16.553   7.529  -8.618
  136   2HG   MET  16           HG2      MET  16 -18.189   7.008  -8.318
  137   1HE   MET  16           HE1      MET  16 -18.303   9.009 -10.232
  138   2HE   MET  16           HE2      MET  16 -19.627   7.869  -9.992
  139   3HE   MET  16           HE3      MET  16 -19.115   8.294 -11.626
  140    H    LEU  17           HN       LEU  17 -14.738   3.839  -6.851
  141    HA   LEU  17           HA       LEU  17 -16.291   1.718  -5.660
  142   1HB   LEU  17           HB1      LEU  17 -13.241   1.828  -5.849
  143   2HB   LEU  17           HB2      LEU  17 -14.227   1.571  -7.270
  144    HG   LEU  17           HG       LEU  17 -13.283  -0.544  -6.127
  145   1HD1  LEU  17          HD11      LEU  17 -15.543  -0.073  -4.186
  146   2HD1  LEU  17          HD12      LEU  17 -13.848   0.225  -3.804
  147   3HD1  LEU  17          HD13      LEU  17 -14.394  -1.399  -4.191
  148   1HD2  LEU  17          HD21      LEU  17 -15.103  -0.716  -7.763
  149   2HD2  LEU  17          HD22      LEU  17 -16.291  -0.378  -6.515
  150   3HD2  LEU  17          HD23      LEU  17 -15.354  -1.860  -6.456
  151    H    LYS  18           HN       LYS  18 -13.392   3.433  -4.510
  152    HA   LYS  18           HA       LYS  18 -13.028   2.572  -1.982
  153   1HB   LYS  18           HB1      LYS  18 -12.668   5.036  -1.315
  154   2HB   LYS  18           HB2      LYS  18 -13.265   5.469  -2.912
  155   1HG   LYS  18           HG1      LYS  18 -11.487   4.091  -3.951
  156   2HG   LYS  18           HG2      LYS  18 -10.883   3.665  -2.356
  157   1HD   LYS  18           HD1      LYS  18 -11.071   6.493  -3.456
  158   2HD   LYS  18           HD2      LYS  18  -9.592   5.545  -3.366
  159   1HE   LYS  18           HE1      LYS  18  -9.399   6.676  -1.360
  160   2HE   LYS  18           HE2      LYS  18 -10.365   5.317  -0.799
  161   1HZ   LYS  18           HZ1      LYS  18 -11.104   8.095  -1.157
  162   2HZ   LYS  18           HZ2      LYS  18 -11.692   6.942  -0.056
  163   3HZ   LYS  18           HZ3      LYS  18 -12.268   6.963  -1.654
  164    H    LYS  19           HN       LYS  19 -15.539   4.967  -2.782
  165    HA   LYS  19           HA       LYS  19 -16.638   4.989  -0.152
  166   1HB   LYS  19           HB1      LYS  19 -18.747   5.730  -1.731
  167   2HB   LYS  19           HB2      LYS  19 -17.425   5.961  -2.870
  168   1HG   LYS  19           HG1      LYS  19 -17.654   7.183  -0.099
  169   2HG   LYS  19           HG2      LYS  19 -17.781   8.039  -1.631
  170   1HD   LYS  19           HD1      LYS  19 -15.385   6.880  -2.017
  171   2HD   LYS  19           HD2      LYS  19 -15.361   6.955  -0.259
  172   1HE   LYS  19           HE1      LYS  19 -15.991   9.401  -0.441
  173   2HE   LYS  19           HE2      LYS  19 -15.753   9.269  -2.180
  174   1HZ   LYS  19           HZ1      LYS  19 -13.470   8.506  -1.718
  175   2HZ   LYS  19           HZ2      LYS  19 -13.724   8.818  -0.068
  176   3HZ   LYS  19           HZ3      LYS  19 -13.769  10.092  -1.190
  177    H    HIS  20           HN       HIS  20 -17.392   3.140  -3.061
  178    HA   HIS  20           HA       HIS  20 -19.759   1.908  -2.053
  179   1HB   HIS  20           HB1      HIS  20 -17.693   0.871  -4.045
  180   2HB   HIS  20           HB2      HIS  20 -19.148   1.778  -4.454
  181    HD1  HIS  20           HD1      HIS  20 -21.128   0.288  -4.815
  182    HD2  HIS  20           HD2      HIS  20 -18.216  -1.671  -2.755
  183    HE1  HIS  20           HE1      HIS  20 -21.981  -1.988  -4.498
  184    H    ILE  21           HN       ILE  21 -16.380   0.724  -2.094
  185    HA   ILE  21           HA       ILE  21 -16.950  -1.717  -0.795
  186    HB   ILE  21           HB       ILE  21 -14.662  -0.684  -1.804
  187   1HG1  ILE  21          HG11      ILE  21 -14.890  -2.717   0.447
  188   2HG1  ILE  21          HG12      ILE  21 -13.432  -2.484  -0.507
  189   1HG2  ILE  21          HG21      ILE  21 -14.155  -0.536   1.203
  190   2HG2  ILE  21          HG22      ILE  21 -14.596   0.894   0.290
  191   3HG2  ILE  21          HG23      ILE  21 -13.122   0.036  -0.100
  192   1HD1  ILE  21           HD1      ILE  21 -15.566  -2.729  -2.371
  193   2HD1  ILE  21           HD2      ILE  21 -15.802  -3.998  -1.175
  194   3HD1  ILE  21           HD3      ILE  21 -14.283  -3.891  -2.058
  195    NH1  ARG  22           NH1      ARG  22 -12.520   5.485   1.958
  196    NH2  ARG  22           NH2      ARG  22 -12.581   6.581   3.964
  197    H    ARG  22           HN       ARG  22 -16.672   1.513   0.492
  198    HA   ARG  22           HA       ARG  22 -16.409   0.651   3.250
  199   1HB   ARG  22           HB1      ARG  22 -17.352   3.083   3.619
  200   2HB   ARG  22           HB2      ARG  22 -17.211   3.237   1.874
  201   1HG   ARG  22           HG1      ARG  22 -14.820   2.589   2.015
  202   2HG   ARG  22           HG2      ARG  22 -14.964   2.472   3.764
  203   1HD   ARG  22           HD1      ARG  22 -15.854   4.935   3.604
  204   2HD   ARG  22           HD2      ARG  22 -15.072   4.930   2.024
  205    HE   ARG  22           HE       ARG  22 -13.500   4.152   4.438
  206   1HH1  ARG  22          HH11      ARG  22 -12.817   4.715   1.394
  207   2HH1  ARG  22          HH12      ARG  22 -11.897   6.170   1.580
  208   1HH2  ARG  22          HH21      ARG  22 -12.925   6.631   4.902
  209   2HH2  ARG  22          HH22      ARG  22 -11.959   7.284   3.621
  210    H    THR  23           HN       THR  23 -19.150   1.436   1.170
  211    HA   THR  23           HA       THR  23 -21.217   1.563   3.023
  212    HB   THR  23           HB       THR  23 -21.470  -0.128   0.477
  213    HG1  THR  23           HG1      THR  23 -20.326   1.657  -0.119
  214   1HG2  THR  23          HG21      THR  23 -23.460   0.508   2.127
  215   2HG2  THR  23          HG22      THR  23 -23.685   0.859   0.416
  216   3HG2  THR  23          HG23      THR  23 -23.226   2.147   1.525
  217    H    HIS  24           HN       HIS  24 -19.254  -1.179   2.212
  218    HA   HIS  24           HA       HIS  24 -21.144  -3.093   3.406
  219   1HB   HIS  24           HB1      HIS  24 -19.071  -4.643   3.225
  220   2HB   HIS  24           HB2      HIS  24 -18.238  -3.285   2.474
  221    HD1  HIS  24           HD1      HIS  24 -21.455  -5.145   1.885
  222    HD2  HIS  24           HD2      HIS  24 -18.569  -3.202  -0.238
  223    HE1  HIS  24           HE1      HIS  24 -22.067  -5.434  -0.490
  224    H    THR  25           HN       THR  25 -19.922  -0.712   4.869
  225    HA   THR  25           HA       THR  25 -18.497  -2.094   7.066
  226    HB   THR  25           HB       THR  25 -18.394   0.389   7.919
  227    HG1  THR  25           HG1      THR  25 -18.818   1.659   5.831
  228   1HG2  THR  25          HG21      THR  25 -17.175  -0.703   5.397
  229   2HG2  THR  25          HG22      THR  25 -16.359   0.003   6.790
  230   3HG2  THR  25          HG23      THR  25 -17.106   1.047   5.583
  231    H    ASP  26           HN       ASP  26 -20.259   0.657   7.912
  232    HA   ASP  26           HA       ASP  26 -22.560  -0.881   8.920
  233   1HB   ASP  26           HB1      ASP  26 -22.136   0.282  11.226
  234   2HB   ASP  26           HB2      ASP  26 -20.496   0.552  10.640
  235    H    VAL  27           HN       VAL  27 -21.954   1.243   7.008
  236    HA   VAL  27           HA       VAL  27 -23.372   3.565   8.184
  237    HB   VAL  27           HB       VAL  27 -21.302   4.015   6.919
  238   1HG1  VAL  27          HG11      VAL  27 -21.346   1.980   5.527
  239   2HG1  VAL  27          HG12      VAL  27 -21.121   3.415   4.537
  240   3HG1  VAL  27          HG13      VAL  27 -22.695   2.633   4.613
  241   1HG2  VAL  27          HG21      VAL  27 -23.726   5.271   6.475
  242   2HG2  VAL  27          HG22      VAL  27 -23.178   4.919   4.839
  243   3HG2  VAL  27          HG23      VAL  27 -22.167   5.872   5.921
  244    NH1  ARG  28           NH2      ARG  28 -24.175  -4.193   5.455
  245    NH2  ARG  28           NH1      ARG  28 -23.115  -3.505   7.359
  246    H    ARG  28           HN       ARG  28 -24.885   1.312   7.853
  247    HA   ARG  28           HA       ARG  28 -26.691   1.990   5.588
  248   1HB   ARG  28           HB1      ARG  28 -27.386  -0.469   5.840
  249   2HB   ARG  28           HB2      ARG  28 -26.021  -0.646   6.930
  250   1HG   ARG  28           HG1      ARG  28 -24.623   0.394   4.991
  251   2HG   ARG  28           HG2      ARG  28 -25.996  -0.024   3.977
  252   1HD   ARG  28           HD1      ARG  28 -24.323  -1.853   3.988
  253   2HD   ARG  28           HD2      ARG  28 -25.833  -2.383   4.730
  254    HE   ARG  28           HE       ARG  28 -24.084  -1.337   6.755
  255   1HH1  ARG  28          HH21      ARG  28 -24.735  -3.969   4.658
  256   2HH1  ARG  28          HH22      ARG  28 -23.869  -5.134   5.602
  257   1HH2  ARG  28          HH11      ARG  28 -22.880  -2.764   7.987
  258   2HH2  ARG  28          HH12      ARG  28 -22.791  -4.434   7.537
  259    HA   PRO  29           HA       PRO  29 -28.952   2.772   9.569
  260   1HB   PRO  29           HB1      PRO  29 -29.393   5.018   9.426
  261   2HB   PRO  29           HB2      PRO  29 -30.552   4.729   8.128
  262   1HG   PRO  29           HG1      PRO  29 -27.852   5.811   7.924
  263   2HG   PRO  29           HG2      PRO  29 -29.061   5.650   6.649
  264   1HD   PRO  29           HD1      PRO  29 -28.000   3.825   5.800
  265   2HD   PRO  29           HD2      PRO  29 -26.687   4.093   6.960
  266    OH   TYR  30           OH       TYR  30 -33.210   5.870   4.348
  267    H    TYR  30           HN       TYR  30 -29.560   0.853   7.272
  268    HA   TYR  30           HA       TYR  30 -32.512   0.731   7.767
  269   1HB   TYR  30           HB1      TYR  30 -32.730  -0.150   5.400
  270   2HB   TYR  30           HB2      TYR  30 -31.025   0.190   5.149
  271    HD1  TYR  30           HD1      TYR  30 -34.087   1.944   6.428
  272    HD2  TYR  30           HD2      TYR  30 -30.499   2.254   4.161
  273    HE1  TYR  30           HE1      TYR  30 -34.652   4.257   5.839
  274    HE2  TYR  30           HE2      TYR  30 -31.064   4.565   3.581
  275    HH   TYR  30           HH       TYR  30 -33.928   5.851   3.712
  276    H    HIS  31           HN       HIS  31 -31.738  -0.750   9.476
  277    HA   HIS  31           HA       HIS  31 -30.708  -3.348   8.490
  278   1HB   HIS  31           HB1      HIS  31 -30.473  -3.881  10.902
  279   2HB   HIS  31           HB2      HIS  31 -31.333  -2.401  11.325
  280    HD1  HIS  31           HD1      HIS  31 -28.072  -3.496  11.048
  281    HD2  HIS  31           HD2      HIS  31 -29.895  -0.041   9.953
  282    HE1  HIS  31           HE1      HIS  31 -26.272  -1.883  10.834
  283    H    CYS  32           HN       CYS  32 -31.839  -5.247   8.538
  284    HA   CYS  32           HA       CYS  32 -34.696  -5.108   8.431
  285   1HB   CYS  32           HB1      CYS  32 -32.674  -7.359   8.656
  286   2HB   CYS  32           HB2      CYS  32 -33.646  -6.919   7.275
  287    H    THR  33           HN       THR  33 -36.246  -5.549   9.942
  288    HA   THR  33           HA       THR  33 -35.594  -5.182  12.701
  289    HB   THR  33           HB       THR  33 -38.089  -6.142  11.210
  290    HG1  THR  33           HG1      THR  33 -38.735  -4.123  12.008
  291   1HG2  THR  33          HG21      THR  33 -37.522  -5.988  14.213
  292   2HG2  THR  33          HG22      THR  33 -38.396  -7.251  13.352
  293   3HG2  THR  33          HG23      THR  33 -39.141  -5.674  13.594
  294    OH   TYR  34           OH       TYR  34 -41.607  -9.217  11.351
  295    H    TYR  34           HN       TYR  34 -35.678  -7.980  10.696
  296    HA   TYR  34           HA       TYR  34 -35.574  -9.773  13.068
  297   1HB   TYR  34           HB1      TYR  34 -35.955 -11.590  11.445
  298   2HB   TYR  34           HB2      TYR  34 -35.733 -10.479  10.099
  299    HD1  TYR  34           HD2      TYR  34 -37.356  -8.430  10.006
  300    HD2  TYR  34           HD1      TYR  34 -38.103 -11.904  12.345
  301    HE1  TYR  34           HE2      TYR  34 -39.735  -7.846  10.117
  302    HE2  TYR  34           HE1      TYR  34 -40.479 -11.319  12.455
  303    HH   TYR  34           HH       TYR  34 -41.962  -9.260  10.459
  304    H    CYS  35           HN       CYS  35 -33.984  -9.989   9.895
  305    HA   CYS  35           HA       CYS  35 -31.664 -11.282  10.931
  306   1HB   CYS  35           HB1      CYS  35 -30.680 -10.875   8.773
  307   2HB   CYS  35           HB2      CYS  35 -31.666  -9.470   8.502
  308    H    ASN  36           HN       ASN  36 -29.475 -10.038  10.062
  309    HA   ASN  36           HA       ASN  36 -29.360  -7.534  11.698
  310   1HB   ASN  36           HB1      ASN  36 -26.968  -9.328  11.159
  311   2HB   ASN  36           HB2      ASN  36 -28.093  -9.744  12.449
  312   1HD2  ASN  36          HD21      ASN  36 -27.588  -8.833  14.431
  313   2HD2  ASN  36          HD22      ASN  36 -26.684  -7.415  14.658
  314    H    PHE  37           HN       PHE  37 -29.357  -8.680   8.649
  315    HA   PHE  37           HA       PHE  37 -27.114  -7.207   7.525
  316   1HB   PHE  37           HB1      PHE  37 -29.571  -7.972   5.928
  317   2HB   PHE  37           HB2      PHE  37 -28.546  -9.259   6.567
  318    HD1  PHE  37           HD2      PHE  37 -26.040  -9.183   6.006
  319    HD2  PHE  37           HD1      PHE  37 -28.913  -6.761   4.002
  320    HE1  PHE  37           HE2      PHE  37 -24.457  -8.827   4.161
  321    HE2  PHE  37           HE1      PHE  37 -27.327  -6.408   2.159
  322    HZ   PHE  37           HZ       PHE  37 -25.099  -7.440   2.239
  323    H    SER  38           HN       SER  38 -27.314  -5.349   6.144
  324    HA   SER  38           HA       SER  38 -29.835  -3.831   6.416
  325   1HB   SER  38           HB1      SER  38 -27.125  -2.649   7.173
  326   2HB   SER  38           HB2      SER  38 -28.315  -3.203   8.358
  327    HG   SER  38           HG1      SER  38 -28.313  -0.890   7.321
  328    H    PHE  39           HN       PHE  39 -29.635  -1.706   5.215
  329    HA   PHE  39           HA       PHE  39 -27.895  -2.025   2.821
  330   1HB   PHE  39           HB1      PHE  39 -29.792  -1.672   1.386
  331   2HB   PHE  39           HB2      PHE  39 -30.796  -1.127   2.728
  332    HD1  PHE  39           HD2      PHE  39 -31.451  -2.779   4.510
  333    HD2  PHE  39           HD1      PHE  39 -29.577  -4.034   0.902
  334    HE1  PHE  39           HE2      PHE  39 -32.134  -5.090   4.966
  335    HE2  PHE  39           HE1      PHE  39 -30.257  -6.352   1.365
  336    HZ   PHE  39           HZ       PHE  39 -31.533  -6.880   3.402
  337    H    LYS  40           HN       LYS  40 -27.610  -0.064   1.617
  338    HA   LYS  40           HA       LYS  40 -27.382   2.248   3.402
  339   1HB   LYS  40           HB1      LYS  40 -26.572   1.704   0.521
  340   2HB   LYS  40           HB2      LYS  40 -25.529   1.683   1.917
  341   1HG   LYS  40           HG1      LYS  40 -26.907   4.125   0.759
  342   2HG   LYS  40           HG2      LYS  40 -25.190   3.773   0.712
  343   1HD   LYS  40           HD1      LYS  40 -25.444   3.603   3.324
  344   2HD   LYS  40           HD2      LYS  40 -26.872   4.588   3.054
  345   1HE   LYS  40           HE1      LYS  40 -23.995   5.263   2.618
  346   2HE   LYS  40           HE2      LYS  40 -25.287   6.261   3.272
  347   1HZ   LYS  40           HZ1      LYS  40 -26.099   5.787   0.738
  348   2HZ   LYS  40           HZ2      LYS  40 -24.416   5.940   0.561
  349   3HZ   LYS  40           HZ3      LYS  40 -25.314   7.193   1.276
  350    H    THR  41           HN       THR  41 -29.688   1.063   1.269
  351    HA   THR  41           HA       THR  41 -30.971   3.753   1.176
  352    HB   THR  41           HB       THR  41 -31.542   3.453  -1.168
  353    HG1  THR  41           HG1      THR  41 -31.726   1.466  -1.935
  354   1HG2  THR  41          HG21      THR  41 -28.942   3.675  -0.659
  355   2HG2  THR  41          HG22      THR  41 -29.388   3.061  -2.248
  356   3HG2  THR  41          HG23      THR  41 -28.879   1.945  -0.984
  357    H    LYS  42           HN       LYS  42 -33.232   3.745   1.035
  358    HA   LYS  42           HA       LYS  42 -34.449   1.640   2.571
  359   1HB   LYS  42           HB1      LYS  42 -35.678   3.985   1.051
  360   2HB   LYS  42           HB2      LYS  42 -35.176   4.013   2.737
  361   1HG   LYS  42           HG1      LYS  42 -36.785   1.870   2.851
  362   2HG   LYS  42           HG2      LYS  42 -37.542   2.682   1.485
  363   1HD   LYS  42           HD1      LYS  42 -37.009   3.909   4.213
  364   2HD   LYS  42           HD2      LYS  42 -38.582   3.423   3.592
  365   1HE   LYS  42           HE1      LYS  42 -36.808   5.677   2.639
  366   2HE   LYS  42           HE2      LYS  42 -38.485   5.756   3.163
  367   1HZ   LYS  42           HZ1      LYS  42 -38.461   5.912   0.824
  368   2HZ   LYS  42           HZ2      LYS  42 -39.032   4.358   1.199
  369   3HZ   LYS  42           HZ3      LYS  42 -37.435   4.568   0.663
  370    H    GLY  43           HN       GLY  43 -33.987   2.209  -0.779
  371   1HA   GLY  43           HA1      GLY  43 -34.707   0.984  -2.656
  372   2HA   GLY  43           HA2      GLY  43 -36.270   0.870  -1.847
  373    H    ASN  44           HN       ASN  44 -32.991  -0.448  -1.461
  374    HA   ASN  44           HA       ASN  44 -33.551  -3.125  -1.945
  375   1HB   ASN  44           HB1      ASN  44 -31.619  -3.510  -0.219
  376   2HB   ASN  44           HB2      ASN  44 -31.606  -1.758  -0.054
  377   1HD2  ASN  44          HD21      ASN  44 -32.221  -3.624  -3.049
  378   2HD2  ASN  44          HD22      ASN  44 -30.879  -3.013  -3.888
  379    H    LEU  45           HN       LEU  45 -33.959  -1.323   1.067
  380    HA   LEU  45           HA       LEU  45 -34.518  -3.413   2.835
  381   1HB   LEU  45           HB1      LEU  45 -36.168  -0.853   2.712
  382   2HB   LEU  45           HB2      LEU  45 -34.480  -0.813   3.191
  383    HG   LEU  45           HG       LEU  45 -35.981  -0.919   5.161
  384   1HD1  LEU  45          HD11      LEU  45 -37.740  -2.313   3.860
  385   2HD1  LEU  45          HD12      LEU  45 -37.508  -2.671   5.565
  386   3HD1  LEU  45          HD13      LEU  45 -36.799  -3.715   4.347
  387   1HD2  LEU  45          HD21      LEU  45 -34.621  -2.358   6.351
  388   2HD2  LEU  45          HD22      LEU  45 -33.674  -2.226   4.878
  389   3HD2  LEU  45          HD23      LEU  45 -34.696  -3.628   5.139
  390    H    THR  46           HN       THR  46 -36.952  -1.592   0.965
  391    HA   THR  46           HA       THR  46 -39.157  -3.222   1.557
  392    HB   THR  46           HB       THR  46 -38.542  -1.895  -1.156
  393    HG1  THR  46           HG1      THR  46 -40.116  -0.621   0.665
  394   1HG2  THR  46          HG21      THR  46 -41.113  -2.597   0.376
  395   2HG2  THR  46          HG22      THR  46 -40.653  -3.216  -1.206
  396   3HG2  THR  46          HG23      THR  46 -41.087  -1.520  -1.016
  397    H    LYS  47           HN       LYS  47 -36.546  -3.708  -0.720
  398    HA   LYS  47           HA       LYS  47 -37.735  -5.896  -2.152
  399   1HB   LYS  47           HB1      LYS  47 -34.756  -5.743  -1.647
  400   2HB   LYS  47           HB2      LYS  47 -35.517  -4.455  -2.573
  401   1HG   LYS  47           HG1      LYS  47 -36.317  -5.998  -4.231
  402   2HG   LYS  47           HG2      LYS  47 -35.917  -7.387  -3.226
  403   1HD   LYS  47           HD1      LYS  47 -33.497  -6.716  -3.363
  404   2HD   LYS  47           HD2      LYS  47 -33.955  -5.449  -4.495
  405   1HE   LYS  47           HE1      LYS  47 -34.758  -7.059  -6.097
  406   2HE   LYS  47           HE2      LYS  47 -34.633  -8.370  -4.932
  407   1HZ   LYS  47           HZ1      LYS  47 -32.644  -7.293  -6.649
  408   2HZ   LYS  47           HZ2      LYS  47 -32.620  -8.725  -5.736
  409   3HZ   LYS  47           HZ3      LYS  47 -32.129  -7.259  -5.031
  410    H    HIS  48           HN       HIS  48 -35.481  -5.818   0.610
  411    HA   HIS  48           HA       HIS  48 -35.417  -8.683   0.894
  412   1HB   HIS  48           HB1      HIS  48 -34.842  -6.434   2.894
  413   2HB   HIS  48           HB2      HIS  48 -33.657  -7.285   1.907
  414    HD1  HIS  48           HD1      HIS  48 -33.848 -10.020   2.433
  415    HD2  HIS  48           HD2      HIS  48 -35.031  -7.497   5.424
  416    HE1  HIS  48           HE1      HIS  48 -33.781 -11.361   4.479
  417    H    MET  49           HN       MET  49 -37.695  -6.277   1.806
  418    HA   MET  49           HA       MET  49 -38.956  -8.041   3.815
  419   1HB   MET  49           HB1      MET  49 -40.680  -6.040   3.749
  420   2HB   MET  49           HB2      MET  49 -39.446  -5.218   2.802
  421   1HG   MET  49           HG1      MET  49 -38.999  -4.607   5.038
  422   2HG   MET  49           HG2      MET  49 -37.806  -5.815   4.637
  423   1HE   MET  49           HE1      MET  49 -37.588  -5.061   7.003
  424   2HE   MET  49           HE2      MET  49 -38.023  -6.181   8.295
  425   3HE   MET  49           HE3      MET  49 -39.081  -4.821   7.914
  426    H    LYS  50           HN       LYS  50 -39.189  -7.277   0.481
  427    HA   LYS  50           HA       LYS  50 -41.957  -7.885   0.058
  428   1HB   LYS  50           HB1      LYS  50 -39.666  -8.447  -1.880
  429   2HB   LYS  50           HB2      LYS  50 -40.279  -6.822  -1.598
  430   1HG   LYS  50           HG1      LYS  50 -42.344  -7.284  -2.583
  431   2HG   LYS  50           HG2      LYS  50 -42.229  -9.009  -2.261
  432   1HD   LYS  50           HD1      LYS  50 -40.212  -7.756  -4.093
  433   2HD   LYS  50           HD2      LYS  50 -41.829  -8.071  -4.712
  434   1HE   LYS  50           HE1      LYS  50 -40.425 -10.243  -3.189
  435   2HE   LYS  50           HE2      LYS  50 -39.946  -9.938  -4.853
  436   1HZ   LYS  50           HZ1      LYS  50 -41.714 -11.028  -5.543
  437   2HZ   LYS  50           HZ2      LYS  50 -42.743  -9.963  -4.714
  438   3HZ   LYS  50           HZ3      LYS  50 -42.158 -11.355  -3.937
  439    H    SER  51           HN       SER  51 -39.029  -9.888  -0.133
  440    HA   SER  51           HA       SER  51 -40.255 -12.294  -0.926
  441   1HB   SER  51           HB1      SER  51 -38.102 -12.439   1.180
  442   2HB   SER  51           HB2      SER  51 -37.692 -11.623  -0.340
  443    HG   SER  51           HG1      SER  51 -38.994 -13.593  -1.191
  444    H    LYS  52           HN       LYS  52 -40.958 -14.102   0.274
  445    HA   LYS  52           HA       LYS  52 -42.531 -13.339   2.611
  446   1HB   LYS  52           HB1      LYS  52 -43.062 -15.907   2.497
  447   2HB   LYS  52           HB2      LYS  52 -42.120 -15.897   1.014
  448   1HG   LYS  52           HG1      LYS  52 -43.824 -13.682   0.743
  449   2HG   LYS  52           HG2      LYS  52 -44.841 -14.902   1.493
  450   1HD   LYS  52           HD1      LYS  52 -45.099 -15.329  -0.808
  451   2HD   LYS  52           HD2      LYS  52 -43.881 -16.503  -0.336
  452   1HE   LYS  52           HE1      LYS  52 -42.982 -15.492  -2.289
  453   2HE   LYS  52           HE2      LYS  52 -42.155 -14.671  -0.971
  454   1HZ   LYS  52           HZ1      LYS  52 -43.020 -12.752  -1.588
  455   2HZ   LYS  52           HZ2      LYS  52 -44.598 -13.377  -1.585
  456   3HZ   LYS  52           HZ3      LYS  52 -43.634 -13.514  -2.976
  457    H    ALA  53           HN       ALA  53 -39.469 -13.512   2.641
  458    HA   ALA  53           HA       ALA  53 -38.518 -15.620   4.198
  459   1HB   ALA  53           HB1      ALA  53 -36.954 -13.864   5.211
  460   2HB   ALA  53           HB2      ALA  53 -37.912 -12.629   4.400
  461   3HB   ALA  53           HB3      ALA  53 -37.026 -13.818   3.452
  462    H    HIS  54           HN       HIS  54 -39.097 -12.545   5.848
  463    HA   HIS  54           HA       HIS  54 -40.869 -13.908   7.776
  464   1HB   HIS  54           HB1      HIS  54 -38.934 -14.254   9.028
  465   2HB   HIS  54           HB2      HIS  54 -39.314 -12.625   9.567
  466    HD1  HIS  54           HD1      HIS  54 -36.854 -14.473   7.618
  467    HD2  HIS  54           HD2      HIS  54 -37.646 -10.542   8.428
  468    HE1  HIS  54           HE1      HIS  54 -34.810 -13.256   7.031
  469    H    SER  55           HN       SER  55 -42.453 -12.517   6.944
  470    HA   SER  55           HA       SER  55 -42.313  -9.792   8.126
  471   1HB   SER  55           HB1      SER  55 -43.381  -8.913   5.958
  472   2HB   SER  55           HB2      SER  55 -43.014 -10.487   5.225
  473    HG   SER  55           HG1      SER  55 -40.844  -9.916   6.423
  474    H    LYS  56           HN       LYS  56 -44.217 -12.461   6.891
  475    HA   LYS  56           HA       LYS  56 -46.705 -11.191   7.902
  476   1HB   LYS  56           HB1      LYS  56 -47.812 -13.146   6.788
  477   2HB   LYS  56           HB2      LYS  56 -46.230 -13.810   6.396
  478   1HG   LYS  56           HG1      LYS  56 -46.021 -11.236   5.432
  479   2HG   LYS  56           HG2      LYS  56 -47.710 -11.611   5.111
  480   1HD   LYS  56           HD1      LYS  56 -46.875 -13.829   4.127
  481   2HD   LYS  56           HD2      LYS  56 -45.262 -13.127   4.180
  482   1HE   LYS  56           HE1      LYS  56 -47.546 -12.479   2.406
  483   2HE   LYS  56           HE2      LYS  56 -45.819 -12.351   2.099
  484   1HZ   LYS  56           HZ1      LYS  56 -46.807 -10.181   2.172
  485   2HZ   LYS  56           HZ2      LYS  56 -45.776 -10.371   3.508
  486   3HZ   LYS  56           HZ3      LYS  56 -47.459 -10.479   3.712
  487    H    LYS  57           HN       LYS  57 -46.909 -14.520   7.910
  488    HA   LYS  57           HA       LYS  57 -47.566 -14.748  10.623
  489   1HB   LYS  57           HB1      LYS  57 -46.687 -17.267  10.078
  490   2HB   LYS  57           HB2      LYS  57 -46.762 -16.638   8.437
  491   1HG   LYS  57           HG1      LYS  57 -49.118 -15.896   8.884
  492   2HG   LYS  57           HG2      LYS  57 -49.026 -16.679  10.458
  493   1HD   LYS  57           HD1      LYS  57 -48.532 -18.841   9.343
  494   2HD   LYS  57           HD2      LYS  57 -48.650 -18.052   7.774
  495   1HE   LYS  57           HE1      LYS  57 -50.883 -18.177   9.828
  496   2HE   LYS  57           HE2      LYS  57 -50.769 -19.203   8.405
  497   1HZ   LYS  57           HZ1      LYS  57 -50.903 -16.243   8.338
  498   2HZ   LYS  57           HZ2      LYS  57 -52.224 -17.279   8.086
  499   3HZ   LYS  57                 LYS  57 -50.919 -17.288   7.000
   
  Start of MODEL           9
 Raw file had 499 H/Q atoms
  Start of MODEL    9
    1   1H    LYS   1           HT1      LYS   1 -10.320  -5.158 -10.558
    2   2H    LYS   1           HT2      LYS   1  -8.918  -4.736  -9.698
    3   3H    LYS   1           HT3      LYS   1  -8.813  -5.162 -11.339
    4    HA   LYS   1           HA       LYS   1  -8.619  -2.771 -11.004
    5   1HB   LYS   1           HB1      LYS   1 -10.583  -2.172 -12.569
    6   2HB   LYS   1           HB2      LYS   1 -11.098  -3.850 -12.427
    7   1HG   LYS   1           HG1      LYS   1  -8.588  -4.369 -13.064
    8   2HG   LYS   1           HG2      LYS   1  -8.616  -2.734 -13.711
    9   1HD   LYS   1           HD1      LYS   1  -9.361  -3.900 -15.573
   10   2HD   LYS   1           HD2      LYS   1 -10.905  -3.578 -14.791
   11   1HE   LYS   1           HE1      LYS   1 -11.032  -5.888 -15.186
   12   2HE   LYS   1           HE2      LYS   1 -10.440  -5.834 -13.531
   13   1HZ   LYS   1           HZ1      LYS   1  -9.241  -7.025 -15.730
   14   2HZ   LYS   1           HZ2      LYS   1  -8.624  -6.892 -14.152
   15   3HZ   LYS   1           HZ3      LYS   1  -8.263  -5.702 -15.308
   16    OH   TYR   2           OH       TYR   2  -7.834   2.092  -9.698
   17    H    TYR   2           HN       TYR   2 -12.120  -3.126 -10.983
   18    HA   TYR   2           HA       TYR   2 -12.288  -2.050  -8.248
   19   1HB   TYR   2           HB1      TYR   2 -13.544  -0.027  -8.974
   20   2HB   TYR   2           HB2      TYR   2 -13.317  -0.487 -10.662
   21    HD1  TYR   2           HD2      TYR   2 -11.472   0.445  -7.566
   22    HD2  TYR   2           HD1      TYR   2 -11.286   0.046 -11.797
   23    HE1  TYR   2           HE2      TYR   2  -9.303   1.587  -7.578
   24    HE2  TYR   2           HE1      TYR   2  -9.110   1.177 -11.807
   25    HH   TYR   2           HH       TYR   2  -7.953   2.962 -10.088
   26    H    ILE   3           HN       ILE   3 -13.199  -4.451  -9.128
   27    HA   ILE   3           HA       ILE   3 -16.148  -4.079  -9.430
   28    HB   ILE   3           HB       ILE   3 -14.345  -6.502  -9.952
   29   1HG1  ILE   3          HG11      ILE   3 -15.356  -4.268 -11.617
   30   2HG1  ILE   3          HG12      ILE   3 -15.589  -5.861 -12.323
   31   1HG2  ILE   3          HG21      ILE   3 -17.360  -6.071 -10.363
   32   2HG2  ILE   3          HG22      ILE   3 -16.629  -7.194  -9.222
   33   3HG2  ILE   3          HG23      ILE   3 -16.476  -7.477 -10.949
   34   1HD1  ILE   3           HD1      ILE   3 -12.948  -4.869 -11.203
   35   2HD1  ILE   3           HD2      ILE   3 -13.374  -4.832 -12.912
   36   3HD1  ILE   3           HD3      ILE   3 -13.220  -6.374 -12.076
   37    H    CYS   4           HN       CYS   4 -16.932  -3.927  -7.366
   38    HA   CYS   4           HA       CYS   4 -15.865  -5.040  -5.053
   39   1HB   CYS   4           HB1      CYS   4 -18.734  -4.595  -5.883
   40   2HB   CYS   4           HB2      CYS   4 -17.767  -3.621  -4.813
   41    H    GLU   5           HN       GLU   5 -15.391  -7.008  -4.497
   42    HA   GLU   5           HA       GLU   5 -16.013  -9.311  -6.001
   43   1HB   GLU   5           HB1      GLU   5 -15.350 -10.476  -3.732
   44   2HB   GLU   5           HB2      GLU   5 -15.026  -8.838  -3.178
   45   1HG   GLU   5           HG1      GLU   5 -13.463  -8.489  -5.046
   46   2HG   GLU   5           HG2      GLU   5 -13.820 -10.100  -5.664
   47    H    GLU   6           HN       GLU   6 -17.895  -7.674  -3.622
   48    HA   GLU   6           HA       GLU   6 -19.557 -10.035  -3.136
   49   1HB   GLU   6           HB1      GLU   6 -20.112  -7.212  -2.170
   50   2HB   GLU   6           HB2      GLU   6 -18.919  -8.231  -1.374
   51   1HG   GLU   6           HG1      GLU   6 -20.659  -9.975  -1.031
   52   2HG   GLU   6           HG2      GLU   6 -21.849  -8.920  -1.789
   53    H    CYS   7           HN       CYS   7 -20.434  -6.682  -3.925
   54    HA   CYS   7           HA       CYS   7 -22.884  -7.574  -5.206
   55   1HB   CYS   7           HB1      CYS   7 -23.338  -5.273  -5.528
   56   2HB   CYS   7           HB2      CYS   7 -21.654  -4.850  -5.593
   57    H    GLY   8           HN       GLY   8 -19.850  -6.135  -6.361
   58   1HA   GLY   8           HA1      GLY   8 -20.437  -7.300  -9.047
   59   2HA   GLY   8           HA2      GLY   8 -18.829  -6.911  -8.451
   60    H    ILE   9           HN       ILE   9 -20.285  -4.367  -7.339
   61    HA   ILE   9           HA       ILE   9 -21.145  -2.801  -9.504
   62    HB   ILE   9           HB       ILE   9 -21.152  -2.261  -6.962
   63   1HG1  ILE   9          HG11      ILE   9 -21.907  -0.709  -8.763
   64   2HG1  ILE   9          HG12      ILE   9 -20.268  -0.081  -8.887
   65   1HG2  ILE   9          HG21      ILE   9 -19.207  -1.163  -6.064
   66   2HG2  ILE   9          HG22      ILE   9 -18.489  -0.926  -7.646
   67   3HG2  ILE   9          HG23      ILE   9 -18.542  -2.530  -6.928
   68   1HD1  ILE   9           HD1      ILE   9 -21.798  -0.111  -6.272
   69   2HD1  ILE   9           HD2      ILE   9 -21.870   1.247  -7.389
   70   3HD1  ILE   9           HD3      ILE   9 -20.336   0.793  -6.654
   71    NH1  ARG  10           NH2      ARG  10 -17.996  -2.548 -18.237
   72    NH2  ARG  10           NH1      ARG  10 -19.312  -4.130 -17.242
   73    H    ARG  10           HN       ARG  10 -20.138  -1.936 -11.200
   74    HA   ARG  10           HA       ARG  10 -17.171  -2.150 -11.302
   75   1HB   ARG  10           HB1      ARG  10 -19.162  -1.548 -13.543
   76   2HB   ARG  10           HB2      ARG  10 -18.634  -3.171 -13.121
   77   1HG   ARG  10           HG1      ARG  10 -16.216  -2.187 -13.416
   78   2HG   ARG  10           HG2      ARG  10 -17.031  -0.918 -14.322
   79   1HD   ARG  10           HD1      ARG  10 -17.279  -3.895 -14.887
   80   2HD   ARG  10           HD2      ARG  10 -16.291  -2.765 -15.812
   81    HE   ARG  10           HE       ARG  10 -19.007  -1.823 -15.690
   82   1HH1  ARG  10          HH21      ARG  10 -17.427  -1.730 -18.152
   83   2HH1  ARG  10          HH22      ARG  10 -18.130  -2.973 -19.133
   84   1HH2  ARG  10          HH11      ARG  10 -19.730  -4.496 -16.411
   85   2HH2  ARG  10          HH12      ARG  10 -19.469  -4.580 -18.122
   86    H    ABA  11           HN       ABU  11 -16.182  -0.369 -10.617
   87    HA   ABA  11           HA       ABU  11 -17.216   2.281 -11.587
   88   1HB   ABA  11           HB1      ABU  11 -16.296   3.235  -9.499
   89   2HB   ABA  11           HB2      ABU  11 -15.711   1.663  -9.006
   90   1HG   ABA  11           HG1      ABU  11 -18.594   2.534  -9.331
   91   2HG   ABA  11           HG2      ABU  11 -17.798   1.995  -7.855
   92   3HG   ABA  11           HG3      ABU  11 -18.124   0.846  -9.149
   93    H    LYS  12           HN       LYS  12 -15.923   2.845 -13.195
   94    HA   LYS  12           HA       LYS  12 -13.237   2.006 -13.534
   95   1HB   LYS  12           HB1      LYS  12 -13.173   3.787 -15.286
   96   2HB   LYS  12           HB2      LYS  12 -14.672   4.455 -14.652
   97   1HG   LYS  12           HG1      LYS  12 -15.914   2.498 -15.255
   98   2HG   LYS  12           HG2      LYS  12 -14.448   1.575 -15.559
   99   1HD   LYS  12           HD1      LYS  12 -13.901   3.182 -17.423
  100   2HD   LYS  12           HD2      LYS  12 -15.470   3.937 -17.169
  101   1HE   LYS  12           HE1      LYS  12 -14.829   1.211 -18.246
  102   2HE   LYS  12           HE2      LYS  12 -15.998   2.390 -18.830
  103   1HZ   LYS  12           HZ1      LYS  12 -17.265   1.954 -16.738
  104   2HZ   LYS  12           HZ2      LYS  12 -16.223   0.645 -16.452
  105   3HZ   LYS  12           HZ3      LYS  12 -17.209   0.659 -17.833
  106    H    LYS  13           HN       LYS  13 -14.163   3.759 -11.019
  107    HA   LYS  13           HA       LYS  13 -11.581   5.211 -10.966
  108   1HB   LYS  13           HB1      LYS  13 -12.984   7.109  -9.772
  109   2HB   LYS  13           HB2      LYS  13 -14.355   6.351 -10.576
  110   1HG   LYS  13           HG1      LYS  13 -12.979   6.518 -12.742
  111   2HG   LYS  13           HG2      LYS  13 -11.901   7.587 -11.852
  112   1HD   LYS  13           HD1      LYS  13 -14.881   7.997 -12.273
  113   2HD   LYS  13           HD2      LYS  13 -13.590   8.915 -13.041
  114   1HE   LYS  13           HE1      LYS  13 -12.816   9.382 -10.575
  115   2HE   LYS  13           HE2      LYS  13 -14.466   8.934 -10.160
  116   1HZ   LYS  13           HZ1      LYS  13 -14.624  11.185 -10.479
  117   2HZ   LYS  13           HZ2      LYS  13 -15.078  10.599 -12.007
  118   3HZ   LYS  13           HZ3      LYS  13 -13.511  11.206 -11.762
  119    HA   PRO  14           HA       PRO  14 -11.310   3.629  -6.825
  120   1HB   PRO  14           HB1      PRO  14  -9.203   4.461  -6.374
  121   2HB   PRO  14           HB2      PRO  14  -9.988   5.855  -5.632
  122   1HG   PRO  14           HG1      PRO  14  -8.385   5.922  -7.954
  123   2HG   PRO  14           HG2      PRO  14  -9.466   7.210  -7.417
  124   1HD   PRO  14           HD1      PRO  14 -10.703   6.823  -9.311
  125   2HD   PRO  14           HD2      PRO  14  -9.786   5.343  -9.651
  126    H    SER  15           HN       SER  15 -11.516   7.150  -6.349
  127    HA   SER  15           HA       SER  15 -12.884   7.399  -4.035
  128   1HB   SER  15           HB1      SER  15 -12.367   9.255  -5.783
  129   2HB   SER  15           HB2      SER  15 -13.901   9.458  -4.914
  130    HG   SER  15           HG1      SER  15 -14.954   8.424  -6.614
  131    H    MET  16           HN       MET  16 -14.369   6.352  -7.054
  132    HA   MET  16           HA       MET  16 -17.036   6.241  -5.922
  133   1HB   MET  16           HB1      MET  16 -17.346   4.705  -8.043
  134   2HB   MET  16           HB2      MET  16 -15.701   5.195  -8.435
  135   1HG   MET  16           HG1      MET  16 -17.277   6.698  -9.508
  136   2HG   MET  16           HG2      MET  16 -16.352   7.549  -8.301
  137   1HE   MET  16           HE1      MET  16 -19.335   5.591  -9.079
  138   2HE   MET  16           HE2      MET  16 -20.719   6.416  -8.364
  139   3HE   MET  16           HE3      MET  16 -19.730   5.337  -7.380
  140    H    LEU  17           HN       LEU  17 -14.681   3.685  -6.841
  141    HA   LEU  17           HA       LEU  17 -16.221   1.584  -5.643
  142   1HB   LEU  17           HB1      LEU  17 -13.188   1.558  -5.847
  143   2HB   LEU  17           HB2      LEU  17 -14.158   1.482  -7.300
  144    HG   LEU  17           HG       LEU  17 -13.520  -0.790  -6.494
  145   1HD1  LEU  17          HD11      LEU  17 -15.321  -0.344  -4.108
  146   2HD1  LEU  17          HD12      LEU  17 -13.596  -0.032  -4.030
  147   3HD1  LEU  17          HD13      LEU  17 -14.185  -1.648  -4.395
  148   1HD2  LEU  17          HD21      LEU  17 -16.477  -0.697  -5.989
  149   2HD2  LEU  17          HD22      LEU  17 -15.547  -1.759  -7.033
  150   3HD2  LEU  17          HD23      LEU  17 -15.893  -0.115  -7.535
  151    H    LYS  18           HN       LYS  18 -13.267   3.244  -4.560
  152    HA   LYS  18           HA       LYS  18 -12.825   2.232  -2.084
  153   1HB   LYS  18           HB1      LYS  18 -12.257   4.621  -1.354
  154   2HB   LYS  18           HB2      LYS  18 -12.956   5.181  -2.868
  155   1HG   LYS  18           HG1      LYS  18 -11.345   3.882  -4.153
  156   2HG   LYS  18           HG2      LYS  18 -10.702   3.153  -2.690
  157   1HD   LYS  18           HD1      LYS  18 -10.657   6.135  -3.289
  158   2HD   LYS  18           HD2      LYS  18  -9.294   5.054  -3.545
  159   1HE   LYS  18           HE1      LYS  18  -8.718   5.618  -1.413
  160   2HE   LYS  18           HE2      LYS  18  -9.962   4.471  -0.938
  161   1HZ   LYS  18           HZ1      LYS  18  -9.929   7.324  -0.720
  162   2HZ   LYS  18           HZ2      LYS  18 -10.887   6.182   0.096
  163   3HZ   LYS  18           HZ3      LYS  18 -11.355   6.742  -1.438
  164    H    LYS  19           HN       LYS  19 -15.179   4.852  -2.654
  165    HA   LYS  19           HA       LYS  19 -16.211   4.818  -0.012
  166   1HB   LYS  19           HB1      LYS  19 -18.252   5.908  -1.171
  167   2HB   LYS  19           HB2      LYS  19 -17.386   5.681  -2.687
  168   1HG   LYS  19           HG1      LYS  19 -15.444   6.943  -1.685
  169   2HG   LYS  19           HG2      LYS  19 -16.456   7.293  -0.289
  170   1HD   LYS  19           HD1      LYS  19 -17.098   8.052  -3.160
  171   2HD   LYS  19           HD2      LYS  19 -16.517   9.157  -1.922
  172   1HE   LYS  19           HE1      LYS  19 -18.808   9.502  -1.732
  173   2HE   LYS  19           HE2      LYS  19 -18.594   8.204  -0.564
  174   1HZ   LYS  19           HZ1      LYS  19 -20.331   8.155  -2.603
  175   2HZ   LYS  19           HZ2      LYS  19 -19.722   6.774  -1.824
  176   3HZ   LYS  19           HZ3      LYS  19 -19.016   7.312  -3.272
  177    H    HIS  20           HN       HIS  20 -17.127   3.043  -2.924
  178    HA   HIS  20           HA       HIS  20 -19.540   1.923  -1.895
  179   1HB   HIS  20           HB1      HIS  20 -17.565   0.800  -3.929
  180   2HB   HIS  20           HB2      HIS  20 -18.972   1.785  -4.305
  181    HD1  HIS  20           HD1      HIS  20 -20.988   0.383  -4.729
  182    HD2  HIS  20           HD2      HIS  20 -18.224  -1.718  -2.611
  183    HE1  HIS  20           HE1      HIS  20 -21.906  -1.877  -4.520
  184    H    ILE  21           HN       ILE  21 -16.225   0.570  -1.972
  185    HA   ILE  21           HA       ILE  21 -16.895  -1.861  -0.707
  186    HB   ILE  21           HB       ILE  21 -14.551  -0.879  -1.657
  187   1HG1  ILE  21          HG11      ILE  21 -14.844  -2.939   0.563
  188   2HG1  ILE  21          HG12      ILE  21 -13.397  -2.744  -0.414
  189   1HG2  ILE  21          HG21      ILE  21 -13.017  -0.253   0.096
  190   2HG2  ILE  21          HG22      ILE  21 -14.104  -0.807   1.363
  191   3HG2  ILE  21          HG23      ILE  21 -14.465   0.652   0.466
  192   1HD1  ILE  21           HD1      ILE  21 -14.335  -4.159  -1.913
  193   2HD1  ILE  21           HD2      ILE  21 -15.502  -2.895  -2.279
  194   3HD1  ILE  21           HD3      ILE  21 -15.879  -4.116  -1.069
  195    NH1  ARG  22           NH2      ARG  22 -12.243   3.069   3.687
  196    NH2  ARG  22           NH1      ARG  22 -11.399   4.163   1.867
  197    H    ARG  22           HN       ARG  22 -16.481   1.345   0.631
  198    HA   ARG  22           HA       ARG  22 -16.384   0.414   3.392
  199   1HB   ARG  22           HB1      ARG  22 -16.965   2.866   3.865
  200   2HB   ARG  22           HB2      ARG  22 -17.060   3.114   2.127
  201   1HG   ARG  22           HG1      ARG  22 -14.742   2.536   1.831
  202   2HG   ARG  22           HG2      ARG  22 -14.615   1.946   3.485
  203   1HD   ARG  22           HD1      ARG  22 -14.468   4.068   4.372
  204   2HD   ARG  22           HD2      ARG  22 -15.520   4.767   3.144
  205    HE   ARG  22           HE       ARG  22 -13.571   5.312   1.948
  206   1HH1  ARG  22          HH21      ARG  22 -13.009   2.907   4.310
  207   2HH1  ARG  22          HH22      ARG  22 -11.381   2.580   3.816
  208   1HH2  ARG  22          HH11      ARG  22 -11.532   4.821   1.126
  209   2HH2  ARG  22          HH12      ARG  22 -10.523   3.691   1.967
  210    H    THR  23           HN       THR  23 -18.933   1.260   1.138
  211    HA   THR  23           HA       THR  23 -21.077   1.627   2.920
  212    HB   THR  23           HB       THR  23 -21.387  -0.089   0.402
  213    HG1  THR  23           HG1      THR  23 -21.480   2.416  -0.248
  214   1HG2  THR  23          HG21      THR  23 -22.921   2.433   0.917
  215   2HG2  THR  23          HG22      THR  23 -23.224   1.160   2.097
  216   3HG2  THR  23          HG23      THR  23 -23.532   0.869   0.388
  217    H    HIS  24           HN       HIS  24 -19.241  -1.224   2.255
  218    HA   HIS  24           HA       HIS  24 -21.292  -3.033   3.345
  219   1HB   HIS  24           HB1      HIS  24 -19.276  -4.680   3.250
  220   2HB   HIS  24           HB2      HIS  24 -18.375  -3.364   2.505
  221    HD1  HIS  24           HD1      HIS  24 -21.525  -5.292   1.839
  222    HD2  HIS  24           HD2      HIS  24 -18.756  -3.098  -0.199
  223    HE1  HIS  24           HE1      HIS  24 -22.086  -5.566  -0.553
  224    H    THR  25           HN       THR  25 -19.993  -0.732   4.879
  225    HA   THR  25           HA       THR  25 -18.657  -2.180   7.075
  226    HB   THR  25           HB       THR  25 -18.628   0.284   8.013
  227    HG1  THR  25           HG1      THR  25 -19.016   1.654   6.033
  228   1HG2  THR  25          HG21      THR  25 -16.547  -0.099   6.946
  229   2HG2  THR  25          HG22      THR  25 -17.235   1.038   5.790
  230   3HG2  THR  25          HG23      THR  25 -17.315  -0.694   5.478
  231    H    ASP  26           HN       ASP  26 -20.619   0.519   7.794
  232    HA   ASP  26           HA       ASP  26 -22.924  -1.036   8.671
  233   1HB   ASP  26           HB1      ASP  26 -22.637  -0.484  11.077
  234   2HB   ASP  26           HB2      ASP  26 -21.142   0.376  10.721
  235    H    VAL  27           HN       VAL  27 -22.206   1.210   6.979
  236    HA   VAL  27           HA       VAL  27 -23.626   3.443   8.338
  237    HB   VAL  27           HB       VAL  27 -21.410   3.936   7.359
  238   1HG1  VAL  27          HG11      VAL  27 -21.432   2.141   5.662
  239   2HG1  VAL  27          HG12      VAL  27 -21.026   3.695   4.943
  240   3HG1  VAL  27          HG13      VAL  27 -22.642   3.028   4.746
  241   1HG2  VAL  27          HG21      VAL  27 -22.098   5.978   6.630
  242   2HG2  VAL  27          HG22      VAL  27 -23.734   5.383   6.903
  243   3HG2  VAL  27          HG23      VAL  27 -23.015   5.278   5.299
  244    NH1  ARG  28           NH1      ARG  28 -24.903  -3.048   6.760
  245    NH2  ARG  28           NH2      ARG  28 -23.279  -3.570   5.238
  246    H    ARG  28           HN       ARG  28 -25.115   1.247   7.453
  247    HA   ARG  28           HA       ARG  28 -26.652   2.364   5.145
  248   1HB   ARG  28           HB1      ARG  28 -27.518  -0.089   5.069
  249   2HB   ARG  28           HB2      ARG  28 -26.179  -0.461   6.146
  250   1HG   ARG  28           HG1      ARG  28 -24.800   0.898   4.315
  251   2HG   ARG  28           HG2      ARG  28 -26.129   0.395   3.281
  252   1HD   ARG  28           HD1      ARG  28 -24.331  -1.284   3.209
  253   2HD   ARG  28           HD2      ARG  28 -25.756  -1.966   3.990
  254    HE   ARG  28           HE       ARG  28 -23.685  -0.780   5.749
  255   1HH1  ARG  28          HH11      ARG  28 -25.532  -2.373   7.143
  256   2HH1  ARG  28          HH12      ARG  28 -24.876  -3.975   7.134
  257   1HH2  ARG  28          HH21      ARG  28 -22.692  -3.283   4.481
  258   2HH2  ARG  28          HH22      ARG  28 -23.225  -4.505   5.587
  259    HA   PRO  29           HA       PRO  29 -29.286   2.764   8.964
  260   1HB   PRO  29           HB1      PRO  29 -29.749   5.012   9.009
  261   2HB   PRO  29           HB2      PRO  29 -30.706   4.882   7.534
  262   1HG   PRO  29           HG1      PRO  29 -27.985   5.910   7.846
  263   2HG   PRO  29           HG2      PRO  29 -29.014   5.956   6.414
  264   1HD   PRO  29           HD1      PRO  29 -27.887   4.214   5.478
  265   2HD   PRO  29           HD2      PRO  29 -26.734   4.288   6.821
  266    OH   TYR  30           OH       TYR  30 -32.649   7.537   3.227
  267    H    TYR  30           HN       TYR  30 -30.189   2.693   5.552
  268    HA   TYR  30           HA       TYR  30 -32.965   2.022   6.068
  269   1HB   TYR  30           HB1      TYR  30 -32.969   1.426   3.622
  270   2HB   TYR  30           HB2      TYR  30 -31.215   1.584   3.596
  271    HD1  TYR  30           HD1      TYR  30 -34.284   3.520   4.521
  272    HD2  TYR  30           HD2      TYR  30 -30.273   3.685   3.116
  273    HE1  TYR  30           HE1      TYR  30 -34.510   5.934   4.160
  274    HE2  TYR  30           HE2      TYR  30 -30.500   6.099   2.753
  275    HH   TYR  30           HH       TYR  30 -33.536   7.794   3.488
  276    H    HIS  31           HN       HIS  31 -33.527   0.199   7.066
  277    HA   HIS  31           HA       HIS  31 -32.135  -2.345   6.288
  278   1HB   HIS  31           HB1      HIS  31 -32.560  -3.127   8.611
  279   2HB   HIS  31           HB2      HIS  31 -33.383  -1.616   8.982
  280    HD1  HIS  31           HD1      HIS  31 -30.000  -2.720   7.956
  281    HD2  HIS  31           HD2      HIS  31 -31.746   0.373   9.915
  282    HE1  HIS  31           HE1      HIS  31 -28.150  -1.382   8.781
  283    H    CYS  32           HN       CYS  32 -33.416  -4.079   5.741
  284    HA   CYS  32           HA       CYS  32 -36.181  -3.559   5.126
  285   1HB   CYS  32           HB1      CYS  32 -34.477  -6.067   5.265
  286   2HB   CYS  32           HB2      CYS  32 -35.106  -5.274   3.845
  287    H    THR  33           HN       THR  33 -38.026  -4.057   6.222
  288    HA   THR  33           HA       THR  33 -37.862  -4.305   9.080
  289    HB   THR  33           HB       THR  33 -40.335  -4.983   7.392
  290    HG1  THR  33           HG1      THR  33 -39.851  -3.091   6.549
  291   1HG2  THR  33          HG21      THR  33 -41.522  -4.062   9.276
  292   2HG2  THR  33          HG22      THR  33 -40.104  -3.190   9.850
  293   3HG2  THR  33          HG23      THR  33 -40.211  -4.935  10.065
  294    OH   TYR  34           OH       TYR  34 -43.908  -6.645   5.590
  295    H    TYR  34           HN       TYR  34 -38.013  -6.606   6.508
  296    HA   TYR  34           HA       TYR  34 -38.644  -8.804   8.399
  297   1HB   TYR  34           HB1      TYR  34 -38.946 -10.165   6.379
  298   2HB   TYR  34           HB2      TYR  34 -38.213  -8.916   5.377
  299    HD1  TYR  34           HD2      TYR  34 -39.390  -6.597   5.348
  300    HD2  TYR  34           HD1      TYR  34 -41.279 -10.139   6.759
  301    HE1  TYR  34           HE2      TYR  34 -41.583  -5.540   5.068
  302    HE2  TYR  34           HE1      TYR  34 -43.471  -9.082   6.470
  303    HH   TYR  34           HH       TYR  34 -44.581  -7.300   5.788
  304    H    CYS  35           HN       CYS  35 -36.434  -8.723   5.614
  305    HA   CYS  35           HA       CYS  35 -34.615 -10.610   6.706
  306   1HB   CYS  35           HB1      CYS  35 -33.091  -9.901   4.970
  307   2HB   CYS  35           HB2      CYS  35 -33.823  -8.326   4.876
  308    H    ASN  36           HN       ASN  36 -32.131  -9.387   6.396
  309    HA   ASN  36           HA       ASN  36 -32.029  -7.463   8.676
  310   1HB   ASN  36           HB1      ASN  36 -30.251  -9.899   8.142
  311   2HB   ASN  36           HB2      ASN  36 -31.344  -9.690   9.508
  312   1HD2  ASN  36          HD21      ASN  36 -30.846  -7.604  10.858
  313   2HD2  ASN  36          HD22      ASN  36 -29.206  -7.255  11.119
  314    H    PHE  37           HN       PHE  37 -31.494  -7.939   5.509
  315    HA   PHE  37           HA       PHE  37 -28.838  -6.871   5.161
  316   1HB   PHE  37           HB1      PHE  37 -31.063  -6.521   3.131
  317   2HB   PHE  37           HB2      PHE  37 -30.459  -8.139   3.475
  318    HD1  PHE  37           HD2      PHE  37 -27.932  -8.551   3.245
  319    HD2  PHE  37           HD1      PHE  37 -29.832  -5.055   1.726
  320    HE1  PHE  37           HE2      PHE  37 -26.005  -8.138   1.779
  321    HE2  PHE  37           HE1      PHE  37 -27.902  -4.648   0.259
  322    HZ   PHE  37           HZ       PHE  37 -25.989  -6.189   0.286
  323    H    SER  38           HN       SER  38 -28.342  -4.753   4.246
  324    HA   SER  38           HA       SER  38 -30.384  -2.687   4.816
  325   1HB   SER  38           HB1      SER  38 -27.529  -2.306   5.761
  326   2HB   SER  38           HB2      SER  38 -28.702  -3.130   6.793
  327    HG   SER  38           HG1      SER  38 -30.086  -1.364   6.562
  328    H    PHE  39           HN       PHE  39 -30.159  -0.791   3.694
  329    HA   PHE  39           HA       PHE  39 -28.096  -0.834   1.530
  330   1HB   PHE  39           HB1      PHE  39 -29.757   0.037   0.039
  331   2HB   PHE  39           HB2      PHE  39 -30.796   0.550   1.367
  332    HD1  PHE  39           HD2      PHE  39 -31.953  -1.212   2.773
  333    HD2  PHE  39           HD1      PHE  39 -29.895  -2.206  -0.825
  334    HE1  PHE  39           HE2      PHE  39 -33.094  -3.387   2.713
  335    HE2  PHE  39           HE1      PHE  39 -31.055  -4.371  -0.883
  336    HZ   PHE  39           HZ       PHE  39 -32.654  -4.961   0.885
  337    H    LYS  40           HN       LYS  40 -27.406   1.233   0.758
  338    HA   LYS  40           HA       LYS  40 -27.115   3.157   2.966
  339   1HB   LYS  40           HB1      LYS  40 -25.924   2.927   0.164
  340   2HB   LYS  40           HB2      LYS  40 -25.133   2.526   1.671
  341   1HG   LYS  40           HG1      LYS  40 -25.965   5.313   0.782
  342   2HG   LYS  40           HG2      LYS  40 -24.324   4.698   0.877
  343   1HD   LYS  40           HD1      LYS  40 -24.852   4.218   3.359
  344   2HD   LYS  40           HD2      LYS  40 -26.218   5.300   3.143
  345   1HE   LYS  40           HE1      LYS  40 -24.373   6.637   3.936
  346   2HE   LYS  40           HE2      LYS  40 -24.596   7.018   2.234
  347   1HZ   LYS  40           HZ1      LYS  40 -22.871   4.905   2.232
  348   2HZ   LYS  40           HZ2      LYS  40 -22.356   5.846   3.550
  349   3HZ   LYS  40           HZ3      LYS  40 -22.462   6.537   2.001
  350    H    THR  41           HN       THR  41 -29.061   2.752   0.196
  351    HA   THR  41           HA       THR  41 -29.970   5.594   0.446
  352    HB   THR  41           HB       THR  41 -30.114   5.776  -1.981
  353    HG1  THR  41           HG1      THR  41 -29.717   3.738  -3.138
  354   1HG2  THR  41          HG21      THR  41 -27.735   3.877  -1.579
  355   2HG2  THR  41          HG22      THR  41 -27.660   5.557  -1.054
  356   3HG2  THR  41          HG23      THR  41 -27.866   5.177  -2.761
  357    H    LYS  42           HN       LYS  42 -32.156   5.972  -0.172
  358    HA   LYS  42           HA       LYS  42 -33.914   3.892   0.744
  359   1HB   LYS  42           HB1      LYS  42 -34.745   6.419  -0.727
  360   2HB   LYS  42           HB2      LYS  42 -34.210   6.469   0.948
  361   1HG   LYS  42           HG1      LYS  42 -36.012   5.083   1.674
  362   2HG   LYS  42           HG2      LYS  42 -36.397   4.589   0.030
  363   1HD   LYS  42           HD1      LYS  42 -37.059   6.918  -0.509
  364   2HD   LYS  42           HD2      LYS  42 -36.694   7.398   1.145
  365   1HE   LYS  42           HE1      LYS  42 -38.629   5.155   0.549
  366   2HE   LYS  42           HE2      LYS  42 -39.159   6.831   0.591
  367   1HZ   LYS  42           HZ1      LYS  42 -38.790   5.109   2.732
  368   2HZ   LYS  42           HZ2      LYS  42 -39.207   6.755   2.782
  369   3HZ   LYS  42           HZ3      LYS  42 -37.575   6.290   2.853
  370    H    GLY  43           HN       GLY  43 -32.701   4.887  -2.311
  371   1HA   GLY  43           HA1      GLY  43 -33.099   4.068  -4.476
  372   2HA   GLY  43           HA2      GLY  43 -34.799   3.988  -4.019
  373    H    ASN  44           HN       ASN  44 -31.754   2.266  -3.353
  374    HA   ASN  44           HA       ASN  44 -32.534  -0.211  -4.376
  375   1HB   ASN  44           HB1      ASN  44 -30.827  -1.135  -2.681
  376   2HB   ASN  44           HB2      ASN  44 -30.693   0.504  -2.053
  377   1HD2  ASN  44          HD21      ASN  44 -31.152   1.599  -4.870
  378   2HD2  ASN  44          HD22      ASN  44 -29.659   1.396  -5.651
  379    H    LEU  45           HN       LEU  45 -32.941   1.044  -1.084
  380    HA   LEU  45           HA       LEU  45 -34.037  -1.261   0.101
  381   1HB   LEU  45           HB1      LEU  45 -34.685   1.704   0.535
  382   2HB   LEU  45           HB2      LEU  45 -33.483   0.771   1.397
  383    HG   LEU  45           HG       LEU  45 -35.321   0.881   2.898
  384   1HD1  LEU  45          HD11      LEU  45 -36.921   1.362   0.707
  385   2HD1  LEU  45          HD12      LEU  45 -37.520   1.059   2.328
  386   3HD1  LEU  45          HD13      LEU  45 -37.439  -0.251   1.162
  387   1HD2  LEU  45          HD21      LEU  45 -35.786  -1.773   1.506
  388   2HD2  LEU  45          HD22      LEU  45 -35.937  -1.405   3.218
  389   3HD2  LEU  45          HD23      LEU  45 -34.351  -1.433   2.461
  390    H    THR  46           HN       THR  46 -35.735   1.409  -1.528
  391    HA   THR  46           HA       THR  46 -38.344   0.322  -1.317
  392    HB   THR  46           HB       THR  46 -37.092   2.095  -3.502
  393    HG1  THR  46           HG1      THR  46 -37.515   3.597  -2.065
  394   1HG2  THR  46          HG21      THR  46 -39.950   1.240  -2.848
  395   2HG2  THR  46          HG22      THR  46 -39.214   1.414  -4.439
  396   3HG2  THR  46          HG23      THR  46 -39.651   2.845  -3.509
  397    H    LYS  47           HN       LYS  47 -35.771  -0.252  -3.648
  398    HA   LYS  47           HA       LYS  47 -37.365  -1.755  -5.506
  399   1HB   LYS  47           HB1      LYS  47 -34.510  -2.543  -5.192
  400   2HB   LYS  47           HB2      LYS  47 -34.760  -0.819  -5.436
  401   1HG   LYS  47           HG1      LYS  47 -36.054  -1.254  -7.467
  402   2HG   LYS  47           HG2      LYS  47 -35.942  -2.990  -7.198
  403   1HD   LYS  47           HD1      LYS  47 -33.409  -2.724  -7.275
  404   2HD   LYS  47           HD2      LYS  47 -33.679  -1.077  -7.833
  405   1HE   LYS  47           HE1      LYS  47 -33.357  -2.672  -9.724
  406   2HE   LYS  47           HE2      LYS  47 -34.938  -1.902  -9.766
  407   1HZ   LYS  47           HZ1      LYS  47 -34.551  -4.530  -9.940
  408   2HZ   LYS  47           HZ2      LYS  47 -35.983  -3.821  -9.363
  409   3HZ   LYS  47           HZ3      LYS  47 -34.808  -4.374  -8.268
  410    H    HIS  48           HN       HIS  48 -35.642  -2.597  -2.566
  411    HA   HIS  48           HA       HIS  48 -35.839  -5.456  -2.954
  412   1HB   HIS  48           HB1      HIS  48 -35.458  -3.742  -0.447
  413   2HB   HIS  48           HB2      HIS  48 -34.192  -4.546  -1.372
  414    HD1  HIS  48           HD1      HIS  48 -34.811  -7.278  -1.504
  415    HD2  HIS  48           HD2      HIS  48 -36.206  -5.229   1.746
  416    HE1  HIS  48           HE1      HIS  48 -35.305  -8.985   0.176
  417    H    MET  49           HN       MET  49 -37.931  -3.004  -1.620
  418    HA   MET  49           HA       MET  49 -39.726  -4.959  -0.381
  419   1HB   MET  49           HB1      MET  49 -41.192  -2.881  -0.094
  420   2HB   MET  49           HB2      MET  49 -39.952  -1.964  -0.944
  421   1HG   MET  49           HG1      MET  49 -38.301  -2.550   0.731
  422   2HG   MET  49           HG2      MET  49 -39.424  -3.621   1.526
  423   1HE   MET  49           HE1      MET  49 -41.622  -2.826   2.680
  424   2HE   MET  49           HE2      MET  49 -41.241  -1.726   4.004
  425   3HE   MET  49           HE3      MET  49 -40.207  -3.120   3.691
  426    H    LYS  50           HN       LYS  50 -39.726  -2.931  -3.287
  427    HA   LYS  50           HA       LYS  50 -42.324  -3.462  -4.210
  428   1HB   LYS  50           HB1      LYS  50 -39.906  -3.459  -6.057
  429   2HB   LYS  50           HB2      LYS  50 -40.414  -1.983  -5.248
  430   1HG   LYS  50           HG1      LYS  50 -42.352  -3.677  -6.851
  431   2HG   LYS  50           HG2      LYS  50 -41.377  -2.428  -7.612
  432   1HD   LYS  50           HD1      LYS  50 -42.762  -0.806  -6.857
  433   2HD   LYS  50           HD2      LYS  50 -42.635  -1.388  -5.204
  434   1HE   LYS  50           HE1      LYS  50 -44.977  -1.479  -6.092
  435   2HE   LYS  50           HE2      LYS  50 -44.368  -3.055  -5.603
  436   1HZ   LYS  50           HZ1      LYS  50 -44.766  -1.990  -8.318
  437   2HZ   LYS  50           HZ2      LYS  50 -45.301  -3.459  -7.653
  438   3HZ   LYS  50           HZ3      LYS  50 -43.661  -3.251  -8.044
  439    H    SER  51           HN       SER  51 -39.387  -5.400  -4.658
  440    HA   SER  51           HA       SER  51 -40.336  -7.364  -6.388
  441   1HB   SER  51           HB1      SER  51 -38.486  -7.522  -3.964
  442   2HB   SER  51           HB2      SER  51 -38.049  -7.588  -5.682
  443    HG   SER  51           HG1      SER  51 -38.551  -9.624  -4.157
  444    H    LYS  52           HN       LYS  52 -41.112  -9.552  -5.939
  445    HA   LYS  52           HA       LYS  52 -43.451  -9.464  -4.233
  446   1HB   LYS  52           HB1      LYS  52 -43.186 -12.116  -4.886
  447   2HB   LYS  52           HB2      LYS  52 -42.176 -11.392  -6.133
  448   1HG   LYS  52           HG1      LYS  52 -44.320 -11.377  -7.117
  449   2HG   LYS  52           HG2      LYS  52 -44.169  -9.745  -6.476
  450   1HD   LYS  52           HD1      LYS  52 -45.183 -11.042  -4.298
  451   2HD   LYS  52           HD2      LYS  52 -45.932 -11.964  -5.597
  452   1HE   LYS  52           HE1      LYS  52 -46.026  -8.946  -5.271
  453   2HE   LYS  52           HE2      LYS  52 -47.360 -10.057  -4.982
  454   1HZ   LYS  52           HZ1      LYS  52 -46.478  -8.922  -7.418
  455   2HZ   LYS  52           HZ2      LYS  52 -47.883  -9.822  -7.100
  456   3HZ   LYS  52           HZ3      LYS  52 -46.443 -10.617  -7.519
  457    H    ALA  53           HN       ALA  53 -40.401  -9.619  -3.301
  458    HA   ALA  53           HA       ALA  53 -39.977 -11.876  -1.733
  459   1HB   ALA  53           HB1      ALA  53 -38.789 -10.254  -0.133
  460   2HB   ALA  53           HB2      ALA  53 -39.428  -8.935  -1.108
  461   3HB   ALA  53           HB3      ALA  53 -38.308 -10.092  -1.819
  462    H    HIS  54           HN       HIS  54 -40.661  -9.130   0.264
  463    HA   HIS  54           HA       HIS  54 -43.175 -10.338   1.225
  464   1HB   HIS  54           HB1      HIS  54 -41.839 -11.434   2.785
  465   2HB   HIS  54           HB2      HIS  54 -42.031  -9.906   3.632
  466    HD1  HIS  54           HD1      HIS  54 -39.499 -12.004   2.201
  467    HD2  HIS  54           HD2      HIS  54 -39.742  -8.049   3.212
  468    HE1  HIS  54           HE1      HIS  54 -37.183 -11.221   2.341
  469    H    SER  55           HN       SER  55 -44.116  -8.432   0.428
  470    HA   SER  55           HA       SER  55 -44.007  -6.224   2.374
  471   1HB   SER  55           HB1      SER  55 -42.436  -5.192   0.940
  472   2HB   SER  55           HB2      SER  55 -43.916  -4.708   0.089
  473    HG   SER  55           HG1      SER  55 -43.454  -7.171  -0.631
  474    H    LYS  56           HN       LYS  56 -46.145  -7.129   2.709
  475    HA   LYS  56           HA       LYS  56 -48.178  -7.357   0.792
  476   1HB   LYS  56           HB1      LYS  56 -49.725  -6.794   2.757
  477   2HB   LYS  56           HB2      LYS  56 -48.286  -6.422   3.698
  478   1HG   LYS  56           HG1      LYS  56 -47.441  -8.715   3.323
  479   2HG   LYS  56           HG2      LYS  56 -48.869  -9.089   2.365
  480   1HD   LYS  56           HD1      LYS  56 -50.319  -8.845   4.264
  481   2HD   LYS  56           HD2      LYS  56 -49.040  -8.117   5.230
  482   1HE   LYS  56           HE1      LYS  56 -47.813 -10.195   5.310
  483   2HE   LYS  56           HE2      LYS  56 -48.879 -10.935   4.123
  484   1HZ   LYS  56           HZ1      LYS  56 -50.517 -10.048   6.148
  485   2HZ   LYS  56           HZ2      LYS  56 -49.184 -10.750   6.930
  486   3HZ   LYS  56           HZ3      LYS  56 -50.083 -11.655   5.810
  487    H    LYS  57           HN       LYS  57 -48.770  -4.787   3.034
  488    HA   LYS  57           HA       LYS  57 -49.981  -3.098   1.151
  489   1HB   LYS  57           HB1      LYS  57 -50.138  -1.560   2.923
  490   2HB   LYS  57           HB2      LYS  57 -48.507  -1.896   3.491
  491   1HG   LYS  57           HG1      LYS  57 -49.158  -3.830   4.631
  492   2HG   LYS  57           HG2      LYS  57 -50.568  -4.079   3.608
  493   1HD   LYS  57           HD1      LYS  57 -50.481  -1.579   5.245
  494   2HD   LYS  57           HD2      LYS  57 -50.791  -3.091   6.091
  495   1HE   LYS  57           HE1      LYS  57 -52.301  -2.419   3.570
  496   2HE   LYS  57           HE2      LYS  57 -52.824  -1.768   5.118
  497   1HZ   LYS  57           HZ1      LYS  57 -53.721  -4.035   4.262
  498   2HZ   LYS  57           HZ2      LYS  57 -53.368  -3.819   5.910
  499   3HZ   LYS  57                 LYS  57 -52.270  -4.638   4.906
   
  Start of MODEL          10
 Raw file had 499 H/Q atoms
  Start of MODEL   10
    1   1H    LYS   1           HT1      LYS   1  -9.499  -4.272 -12.437
    2   2H    LYS   1           HT2      LYS   1  -9.284  -2.662 -11.939
    3   3H    LYS   1           HT3      LYS   1 -10.820  -3.382 -11.850
    4    HA   LYS   1           HA       LYS   1  -9.641  -5.093 -10.334
    5   1HB   LYS   1           HB1      LYS   1  -8.046  -3.212  -9.003
    6   2HB   LYS   1           HB2      LYS   1  -7.681  -2.904 -10.696
    7   1HG   LYS   1           HG1      LYS   1  -6.143  -4.605 -10.035
    8   2HG   LYS   1           HG2      LYS   1  -7.396  -5.450 -10.935
    9   1HD   LYS   1           HD1      LYS   1  -7.573  -6.788  -9.108
   10   2HD   LYS   1           HD2      LYS   1  -8.414  -5.436  -8.360
   11   1HE   LYS   1           HE1      LYS   1  -6.096  -4.560  -7.688
   12   2HE   LYS   1           HE2      LYS   1  -5.476  -6.138  -8.155
   13   1HZ   LYS   1           HZ1      LYS   1  -7.388  -6.961  -6.614
   14   2HZ   LYS   1           HZ2      LYS   1  -7.232  -5.415  -5.926
   15   3HZ   LYS   1           HZ3      LYS   1  -5.900  -6.469  -5.959
   16    OH   TYR   2           OH       TYR   2  -7.101   2.236  -8.513
   17    H    TYR   2           HN       TYR   2 -11.093  -2.093 -10.781
   18    HA   TYR   2           HA       TYR   2 -11.813  -1.805  -7.910
   19   1HB   TYR   2           HB1      TYR   2 -12.906   0.306  -8.707
   20   2HB   TYR   2           HB2      TYR   2 -12.455  -0.100 -10.359
   21    HD1  TYR   2           HD2      TYR   2 -11.049   0.628  -6.993
   22    HD2  TYR   2           HD1      TYR   2 -10.265   0.377 -11.166
   23    HE1  TYR   2           HE2      TYR   2  -8.870   1.698  -6.650
   24    HE2  TYR   2           HE1      TYR   2  -8.081   1.440 -10.819
   25    HH   TYR   2           HH       TYR   2  -7.018   2.444  -7.580
   26    H    ILE   3           HN       ILE   3 -12.890  -4.041  -8.524
   27    HA   ILE   3           HA       ILE   3 -15.759  -3.420  -9.077
   28    HB   ILE   3           HB       ILE   3 -14.288  -5.978  -9.876
   29   1HG1  ILE   3          HG11      ILE   3 -14.543  -3.366 -11.228
   30   2HG1  ILE   3          HG12      ILE   3 -15.031  -4.737 -12.214
   31   1HG2  ILE   3          HG21      ILE   3 -16.365  -6.386 -11.175
   32   2HG2  ILE   3          HG22      ILE   3 -17.005  -4.820 -10.687
   33   3HG2  ILE   3          HG23      ILE   3 -16.789  -6.094  -9.491
   34   1HD1  ILE   3           HD1      ILE   3 -12.538  -4.109 -12.293
   35   2HD1  ILE   3           HD2      ILE   3 -12.906  -5.801 -11.972
   36   3HD1  ILE   3           HD3      ILE   3 -12.439  -4.734 -10.651
   37    H    CYS   4           HN       CYS   4 -16.920  -3.842  -7.294
   38    HA   CYS   4           HA       CYS   4 -15.828  -5.296  -5.095
   39   1HB   CYS   4           HB1      CYS   4 -18.659  -4.498  -5.784
   40   2HB   CYS   4           HB2      CYS   4 -17.581  -3.694  -4.683
   41    H    GLU   5           HN       GLU   5 -15.387  -7.353  -5.132
   42    HA   GLU   5           HA       GLU   5 -16.527  -9.248  -6.908
   43   1HB   GLU   5           HB1      GLU   5 -15.407 -10.929  -5.420
   44   2HB   GLU   5           HB2      GLU   5 -15.144  -9.670  -4.218
   45   1HG   GLU   5           HG1      GLU   5 -14.209  -8.753  -6.794
   46   2HG   GLU   5           HG2      GLU   5 -13.477 -10.312  -6.423
   47    H    GLU   6           HN       GLU   6 -17.711  -7.979  -3.939
   48    HA   GLU   6           HA       GLU   6 -19.369 -10.272  -3.319
   49   1HB   GLU   6           HB1      GLU   6 -19.871  -7.483  -2.270
   50   2HB   GLU   6           HB2      GLU   6 -18.436  -8.349  -1.743
   51   1HG   GLU   6           HG1      GLU   6 -21.215  -9.554  -1.606
   52   2HG   GLU   6           HG2      GLU   6 -20.498  -8.660  -0.269
   53    H    CYS   7           HN       CYS   7 -20.256  -6.901  -4.081
   54    HA   CYS   7           HA       CYS   7 -22.901  -7.765  -4.963
   55   1HB   CYS   7           HB1      CYS   7 -23.285  -5.423  -5.424
   56   2HB   CYS   7           HB2      CYS   7 -21.580  -5.087  -5.500
   57    H    GLY   8           HN       GLY   8 -20.150  -6.188  -6.543
   58   1HA   GLY   8           HA1      GLY   8 -21.004  -7.448  -9.118
   59   2HA   GLY   8           HA2      GLY   8 -19.321  -7.163  -8.685
   60    H    ILE   9           HN       ILE   9 -20.234  -4.531  -7.447
   61    HA   ILE   9           HA       ILE   9 -21.242  -2.942  -9.605
   62    HB   ILE   9           HB       ILE   9 -21.191  -2.458  -7.014
   63   1HG1  ILE   9          HG11      ILE   9 -22.083  -0.933  -8.790
   64   2HG1  ILE   9          HG12      ILE   9 -20.482  -0.229  -8.960
   65   1HG2  ILE   9          HG21      ILE   9 -18.565  -2.617  -7.120
   66   2HG2  ILE   9          HG22      ILE   9 -19.247  -1.297  -6.195
   67   3HG2  ILE   9          HG23      ILE   9 -18.623  -1.004  -7.810
   68   1HD1  ILE   9           HD1      ILE   9 -21.956  -0.348  -6.316
   69   2HD1  ILE   9           HD2      ILE   9 -22.068   1.025  -7.410
   70   3HD1  ILE   9           HD3      ILE   9 -20.518   0.594  -6.698
   71    NH1  ARG  10           NH1      ARG  10 -19.080  -0.945 -16.500
   72    NH2  ARG  10           NH2      ARG  10 -17.786  -2.154 -17.944
   73    H    ARG  10           HN       ARG  10 -20.201  -1.759 -11.130
   74    HA   ARG  10           HA       ARG  10 -17.251  -2.179 -11.317
   75   1HB   ARG  10           HB1      ARG  10 -19.236  -1.388 -13.499
   76   2HB   ARG  10           HB2      ARG  10 -18.768  -3.048 -13.170
   77   1HG   ARG  10           HG1      ARG  10 -16.307  -1.812 -13.379
   78   2HG   ARG  10           HG2      ARG  10 -17.260  -0.895 -14.536
   79   1HD   ARG  10           HD1      ARG  10 -17.052  -3.927 -14.475
   80   2HD   ARG  10           HD2      ARG  10 -16.187  -2.874 -15.593
   81    HE   ARG  10           HE       ARG  10 -18.967  -3.644 -15.824
   82   1HH1  ARG  10          HH11      ARG  10 -19.523  -0.868 -15.607
   83   2HH1  ARG  10          HH12      ARG  10 -19.174  -0.208 -17.170
   84   1HH2  ARG  10          HH21      ARG  10 -17.259  -2.982 -18.134
   85   2HH2  ARG  10          HH22      ARG  10 -17.859  -1.437 -18.639
   86    H    ABA  11           HN       ABU  11 -16.046  -0.483 -10.848
   87    HA   ABA  11           HA       ABU  11 -17.018   2.236 -11.637
   88   1HB   ABA  11           HB1      ABU  11 -16.084   3.098  -9.490
   89   2HB   ABA  11           HB2      ABU  11 -15.656   1.471  -9.013
   90   1HG   ABA  11           HG1      ABU  11 -18.461   2.498  -9.539
   91   2HG   ABA  11           HG2      ABU  11 -17.783   2.084  -7.966
   92   3HG   ABA  11           HG3      ABU  11 -18.064   0.825  -9.165
   93    H    LYS  12           HN       LYS  12 -15.657   2.522 -13.307
   94    HA   LYS  12           HA       LYS  12 -12.985   1.642 -13.485
   95   1HB   LYS  12           HB1      LYS  12 -12.884   3.704 -15.154
   96   2HB   LYS  12           HB2      LYS  12 -14.610   3.803 -14.826
   97   1HG   LYS  12           HG1      LYS  12 -14.854   1.413 -15.465
   98   2HG   LYS  12           HG2      LYS  12 -13.135   1.349 -15.836
   99   1HD   LYS  12           HD1      LYS  12 -13.379   2.978 -17.603
  100   2HD   LYS  12           HD2      LYS  12 -15.042   3.316 -17.135
  101   1HE   LYS  12           HE1      LYS  12 -15.761   1.113 -17.806
  102   2HE   LYS  12           HE2      LYS  12 -14.101   0.574 -18.019
  103   1HZ   LYS  12           HZ1      LYS  12 -14.354   2.802 -19.604
  104   2HZ   LYS  12           HZ2      LYS  12 -15.794   1.932 -19.842
  105   3HZ   LYS  12           HZ3      LYS  12 -14.294   1.185 -20.118
  106    H    LYS  13           HN       LYS  13 -13.929   3.552 -11.092
  107    HA   LYS  13           HA       LYS  13 -11.295   4.887 -11.004
  108   1HB   LYS  13           HB1      LYS  13 -12.511   6.968 -10.103
  109   2HB   LYS  13           HB2      LYS  13 -14.011   6.204 -10.625
  110   1HG   LYS  13           HG1      LYS  13 -13.335   6.227 -12.923
  111   2HG   LYS  13           HG2      LYS  13 -11.672   6.631 -12.506
  112   1HD   LYS  13           HD1      LYS  13 -13.692   8.529 -11.477
  113   2HD   LYS  13           HD2      LYS  13 -13.562   8.477 -13.232
  114   1HE   LYS  13           HE1      LYS  13 -11.248   9.035 -13.184
  115   2HE   LYS  13           HE2      LYS  13 -11.114   8.666 -11.470
  116   1HZ   LYS  13           HZ1      LYS  13 -12.019  10.631 -10.873
  117   2HZ   LYS  13           HZ2      LYS  13 -13.002  10.745 -12.252
  118   3HZ   LYS  13           HZ3      LYS  13 -11.348  11.115 -12.355
  119    HA   PRO  14           HA       PRO  14 -11.319   3.429  -6.816
  120   1HB   PRO  14           HB1      PRO  14  -9.202   4.136  -6.229
  121   2HB   PRO  14           HB2      PRO  14  -9.910   5.650  -5.665
  122   1HG   PRO  14           HG1      PRO  14  -8.166   5.358  -7.878
  123   2HG   PRO  14           HG2      PRO  14  -9.124   6.791  -7.502
  124   1HD   PRO  14           HD1      PRO  14 -10.296   6.388  -9.432
  125   2HD   PRO  14           HD2      PRO  14  -9.530   4.798  -9.611
  126    H    SER  15           HN       SER  15 -11.302   6.967  -6.455
  127    HA   SER  15           HA       SER  15 -12.731   7.509  -4.283
  128   1HB   SER  15           HB1      SER  15 -12.183   9.187  -6.132
  129   2HB   SER  15           HB2      SER  15 -13.801   9.436  -5.445
  130    HG   SER  15           HG1      SER  15 -14.383   9.165  -7.464
  131    H    MET  16           HN       MET  16 -14.388   6.354  -7.224
  132    HA   MET  16           HA       MET  16 -16.982   6.347  -5.930
  133   1HB   MET  16           HB1      MET  16 -17.468   4.738  -7.983
  134   2HB   MET  16           HB2      MET  16 -15.833   5.146  -8.479
  135   1HG   MET  16           HG1      MET  16 -16.336   7.397  -8.823
  136   2HG   MET  16           HG2      MET  16 -17.728   7.363  -7.779
  137   1HE   MET  16           HE1      MET  16 -17.609   4.488 -10.609
  138   2HE   MET  16           HE2      MET  16 -16.275   5.634 -10.723
  139   3HE   MET  16           HE3      MET  16 -17.520   5.606 -11.969
  140    H    LEU  17           HN       LEU  17 -14.848   3.652  -6.963
  141    HA   LEU  17           HA       LEU  17 -16.305   1.610  -5.659
  142   1HB   LEU  17           HB1      LEU  17 -13.264   1.693  -5.759
  143   2HB   LEU  17           HB2      LEU  17 -14.191   1.510  -7.226
  144    HG   LEU  17           HG       LEU  17 -13.449  -0.688  -6.306
  145   1HD1  LEU  17          HD11      LEU  17 -14.123  -1.495  -4.206
  146   2HD1  LEU  17          HD12      LEU  17 -15.364  -0.270  -4.018
  147   3HD1  LEU  17          HD13      LEU  17 -13.671   0.173  -3.888
  148   1HD2  LEU  17          HD21      LEU  17 -15.422  -1.832  -6.785
  149   2HD2  LEU  17          HD22      LEU  17 -15.764  -0.271  -7.507
  150   3HD2  LEU  17          HD23      LEU  17 -16.443  -0.676  -5.945
  151    H    LYS  18           HN       LYS  18 -13.583   3.549  -4.550
  152    HA   LYS  18           HA       LYS  18 -13.043   2.708  -2.041
  153   1HB   LYS  18           HB1      LYS  18 -13.636   5.619  -2.084
  154   2HB   LYS  18           HB2      LYS  18 -12.680   5.087  -3.458
  155   1HG   LYS  18           HG1      LYS  18 -11.910   4.188  -0.684
  156   2HG   LYS  18           HG2      LYS  18 -11.481   5.806  -1.219
  157   1HD   LYS  18           HD1      LYS  18 -10.387   4.820  -3.240
  158   2HD   LYS  18           HD2      LYS  18 -10.749   3.213  -2.619
  159   1HE   LYS  18           HE1      LYS  18  -8.439   3.935  -2.047
  160   2HE   LYS  18           HE2      LYS  18  -9.415   3.665  -0.611
  161   1HZ   LYS  18           HZ1      LYS  18  -9.843   6.058  -0.528
  162   2HZ   LYS  18           HZ2      LYS  18  -8.818   6.287  -1.861
  163   3HZ   LYS  18           HZ3      LYS  18  -8.190   5.697  -0.396
  164    H    LYS  19           HN       LYS  19 -15.642   5.063  -2.682
  165    HA   LYS  19           HA       LYS  19 -16.712   4.923  -0.053
  166   1HB   LYS  19           HB1      LYS  19 -18.865   5.697  -1.521
  167   2HB   LYS  19           HB2      LYS  19 -17.606   5.952  -2.724
  168   1HG   LYS  19           HG1      LYS  19 -16.327   7.249  -0.941
  169   2HG   LYS  19           HG2      LYS  19 -17.780   7.172   0.047
  170   1HD   LYS  19           HD1      LYS  19 -18.972   8.109  -2.095
  171   2HD   LYS  19           HD2      LYS  19 -17.351   8.599  -2.571
  172   1HE   LYS  19           HE1      LYS  19 -18.970   9.492  -0.193
  173   2HE   LYS  19           HE2      LYS  19 -18.122  10.476  -1.379
  174   1HZ   LYS  19           HZ1      LYS  19 -16.503  10.590   0.106
  175   2HZ   LYS  19           HZ2      LYS  19 -16.162   8.963  -0.245
  176   3HZ   LYS  19           HZ3      LYS  19 -17.168   9.356   1.065
  177    H    HIS  20           HN       HIS  20 -17.430   3.108  -2.995
  178    HA   HIS  20           HA       HIS  20 -19.797   1.840  -2.060
  179   1HB   HIS  20           HB1      HIS  20 -17.652   0.779  -3.955
  180   2HB   HIS  20           HB2      HIS  20 -19.086   1.679  -4.436
  181    HD1  HIS  20           HD1      HIS  20 -21.029   0.177  -4.878
  182    HD2  HIS  20           HD2      HIS  20 -18.258  -1.734  -2.597
  183    HE1  HIS  20           HE1      HIS  20 -21.865  -2.109  -4.616
  184    H    ILE  21           HN       ILE  21 -16.395   0.750  -1.888
  185    HA   ILE  21           HA       ILE  21 -17.043  -1.676  -0.550
  186    HB   ILE  21           HB       ILE  21 -14.735  -0.772  -1.591
  187   1HG1  ILE  21          HG11      ILE  21 -15.262  -2.757   0.605
  188   2HG1  ILE  21          HG12      ILE  21 -13.602  -2.463   0.107
  189   1HG2  ILE  21          HG21      ILE  21 -14.210  -0.473   1.400
  190   2HG2  ILE  21          HG22      ILE  21 -14.637   0.919   0.425
  191   3HG2  ILE  21          HG23      ILE  21 -13.180   0.023   0.063
  192   1HD1  ILE  21           HD1      ILE  21 -14.568  -4.324  -1.185
  193   2HD1  ILE  21           HD2      ILE  21 -14.230  -2.960  -2.244
  194   3HD1  ILE  21           HD3      ILE  21 -15.879  -3.287  -1.729
  195    NH1  ARG  22           NH1      ARG  22 -17.705   6.190   3.756
  196    NH2  ARG  22           NH2      ARG  22 -16.143   7.225   5.064
  197    H    ARG  22           HN       ARG  22 -16.701   1.587   0.618
  198    HA   ARG  22           HA       ARG  22 -16.439   0.855   3.413
  199   1HB   ARG  22           HB1      ARG  22 -17.393   3.297   3.670
  200   2HB   ARG  22           HB2      ARG  22 -17.275   3.371   1.918
  201   1HG   ARG  22           HG1      ARG  22 -14.884   2.869   2.013
  202   2HG   ARG  22           HG2      ARG  22 -14.973   2.645   3.757
  203   1HD   ARG  22           HD1      ARG  22 -15.601   5.234   2.295
  204   2HD   ARG  22           HD2      ARG  22 -14.117   4.904   3.186
  205    HE   ARG  22           HE       ARG  22 -15.737   4.567   5.201
  206   1HH1  ARG  22          HH11      ARG  22 -18.002   5.375   3.260
  207   2HH1  ARG  22          HH12      ARG  22 -18.276   7.011   3.756
  208   1HH2  ARG  22          HH21      ARG  22 -15.270   7.184   5.550
  209   2HH2  ARG  22          HH22      ARG  22 -16.689   8.063   5.087
  210    H    THR  23           HN       THR  23 -19.141   1.255   1.228
  211    HA   THR  23           HA       THR  23 -21.209   1.515   3.165
  212    HB   THR  23           HB       THR  23 -21.537  -0.152   0.617
  213    HG1  THR  23           HG1      THR  23 -21.605   2.654   0.666
  214   1HG2  THR  23          HG21      THR  23 -23.135   2.120   1.938
  215   2HG2  THR  23          HG22      THR  23 -23.560   0.415   2.066
  216   3HG2  THR  23          HG23      THR  23 -23.637   1.226   0.505
  217    H    HIS  24           HN       HIS  24 -19.294  -1.250   2.244
  218    HA   HIS  24           HA       HIS  24 -21.151  -3.196   3.379
  219   1HB   HIS  24           HB1      HIS  24 -19.001  -4.685   3.232
  220   2HB   HIS  24           HB2      HIS  24 -18.236  -3.290   2.473
  221    HD1  HIS  24           HD1      HIS  24 -21.456  -5.170   1.917
  222    HD2  HIS  24           HD2      HIS  24 -18.518  -3.350  -0.237
  223    HE1  HIS  24           HE1      HIS  24 -22.086  -5.461  -0.452
  224    H    THR  25           HN       THR  25 -20.038  -0.847   4.967
  225    HA   THR  25           HA       THR  25 -18.696  -2.308   7.174
  226    HB   THR  25           HB       THR  25 -18.493   0.119   8.074
  227    HG1  THR  25           HG1      THR  25 -19.021   1.627   6.356
  228   1HG2  THR  25          HG21      THR  25 -16.526  -0.441   6.818
  229   2HG2  THR  25          HG22      THR  25 -17.157   0.923   5.904
  230   3HG2  THR  25          HG23      THR  25 -17.454  -0.721   5.350
  231    H    ASP  26           HN       ASP  26 -20.400   0.470   8.028
  232    HA   ASP  26           HA       ASP  26 -22.821  -0.981   8.871
  233   1HB   ASP  26           HB1      ASP  26 -22.420   0.044  11.255
  234   2HB   ASP  26           HB2      ASP  26 -20.741   0.210  10.750
  235    H    VAL  27           HN       VAL  27 -22.060   1.168   7.090
  236    HA   VAL  27           HA       VAL  27 -23.324   3.534   8.345
  237    HB   VAL  27           HB       VAL  27 -21.206   3.873   7.130
  238   1HG1  VAL  27          HG11      VAL  27 -22.660   2.706   4.743
  239   2HG1  VAL  27          HG12      VAL  27 -21.385   1.907   5.647
  240   3HG1  VAL  27          HG13      VAL  27 -21.028   3.361   4.728
  241   1HG2  VAL  27          HG21      VAL  27 -22.977   5.008   5.072
  242   2HG2  VAL  27          HG22      VAL  27 -21.899   5.830   6.197
  243   3HG2  VAL  27          HG23      VAL  27 -23.508   5.339   6.719
  244    NH1  ARG  28           NH2      ARG  28 -24.798  -3.884   4.021
  245    NH2  ARG  28           NH1      ARG  28 -24.870  -2.914   1.953
  246    H    ARG  28           HN       ARG  28 -25.022   1.427   7.904
  247    HA   ARG  28           HA       ARG  28 -26.713   2.342   5.612
  248   1HB   ARG  28           HB1      ARG  28 -27.679  -0.050   5.865
  249   2HB   ARG  28           HB2      ARG  28 -26.302  -0.377   6.910
  250   1HG   ARG  28           HG1      ARG  28 -25.120   0.820   4.725
  251   2HG   ARG  28           HG2      ARG  28 -26.410  -0.119   3.991
  252   1HD   ARG  28           HD1      ARG  28 -25.623  -2.086   5.417
  253   2HD   ARG  28           HD2      ARG  28 -24.196  -1.123   5.794
  254    HE   ARG  28           HE       ARG  28 -23.730  -1.097   3.317
  255   1HH1  ARG  28          HH21      ARG  28 -24.645  -3.791   5.006
  256   2HH1  ARG  28          HH22      ARG  28 -25.040  -4.773   3.635
  257   1HH2  ARG  28          HH11      ARG  28 -24.773  -2.096   1.387
  258   2HH2  ARG  28          HH12      ARG  28 -25.114  -3.788   1.531
  259    HA   PRO  29           HA       PRO  29 -28.982   3.288   9.551
  260   1HB   PRO  29           HB1      PRO  29 -29.267   5.560   9.394
  261   2HB   PRO  29           HB2      PRO  29 -30.409   5.351   8.066
  262   1HG   PRO  29           HG1      PRO  29 -27.620   6.216   7.936
  263   2HG   PRO  29           HG2      PRO  29 -28.811   6.169   6.634
  264   1HD   PRO  29           HD1      PRO  29 -27.904   4.256   5.794
  265   2HD   PRO  29           HD2      PRO  29 -26.585   4.417   6.966
  266    OH   TYR  30           OH       TYR  30 -32.429   7.425   3.123
  267    H    TYR  30           HN       TYR  30 -30.234   2.979   6.250
  268    HA   TYR  30           HA       TYR  30 -32.989   2.605   6.994
  269   1HB   TYR  30           HB1      TYR  30 -33.169   1.547   4.704
  270   2HB   TYR  30           HB2      TYR  30 -31.414   1.554   4.587
  271    HD1  TYR  30           HD1      TYR  30 -34.216   3.923   5.368
  272    HD2  TYR  30           HD2      TYR  30 -30.415   3.395   3.531
  273    HE1  TYR  30           HE1      TYR  30 -34.287   6.235   4.552
  274    HE2  TYR  30           HE2      TYR  30 -30.485   5.706   2.722
  275    HH   TYR  30           HH       TYR  30 -31.611   7.599   2.653
  276    H    HIS  31           HN       HIS  31 -33.090   1.157   8.744
  277    HA   HIS  31           HA       HIS  31 -32.115  -1.619   8.265
  278   1HB   HIS  31           HB1      HIS  31 -33.056  -1.719  10.792
  279   2HB   HIS  31           HB2      HIS  31 -32.850   0.027  10.675
  280    HD1  HIS  31           HD1      HIS  31 -30.976  -2.833  11.441
  281    HD2  HIS  31           HD2      HIS  31 -30.086   0.694   9.643
  282    HE1  HIS  31           HE1      HIS  31 -28.560  -2.651  11.584
  283    H    CYS  32           HN       CYS  32 -33.466  -3.410   8.274
  284    HA   CYS  32           HA       CYS  32 -36.200  -2.950   7.447
  285   1HB   CYS  32           HB1      CYS  32 -34.585  -5.413   8.206
  286   2HB   CYS  32           HB2      CYS  32 -35.108  -4.929   6.614
  287    H    THR  33           HN       THR  33 -38.083  -3.150   8.585
  288    HA   THR  33           HA       THR  33 -37.997  -2.713  11.419
  289    HB   THR  33           HB       THR  33 -40.468  -3.811   9.996
  290    HG1  THR  33           HG1      THR  33 -40.538  -2.005   8.826
  291   1HG2  THR  33          HG21      THR  33 -39.931  -1.435  11.875
  292   2HG2  THR  33          HG22      THR  33 -40.611  -2.974  12.398
  293   3HG2  THR  33          HG23      THR  33 -41.519  -1.936  11.303
  294    OH   TYR  34           OH       TYR  34 -43.897  -5.907   8.806
  295    H    TYR  34           HN       TYR  34 -37.740  -5.536   9.590
  296    HA   TYR  34           HA       TYR  34 -38.503  -7.233  11.928
  297   1HB   TYR  34           HB1      TYR  34 -38.843  -9.047  10.305
  298   2HB   TYR  34           HB2      TYR  34 -38.162  -8.072   9.011
  299    HD1  TYR  34           HD2      TYR  34 -39.387  -5.796   8.517
  300    HD2  TYR  34           HD1      TYR  34 -41.170  -9.003  10.672
  301    HE1  TYR  34           HE2      TYR  34 -41.606  -4.883   8.039
  302    HE2  TYR  34           HE1      TYR  34 -43.393  -8.090  10.177
  303    HH   TYR  34           HH       TYR  34 -44.518  -6.639   8.768
  304    H    CYS  35           HN       CYS  35 -36.365  -7.724   9.129
  305    HA   CYS  35           HA       CYS  35 -34.484  -9.299  10.610
  306   1HB   CYS  35           HB1      CYS  35 -33.070  -9.119   8.665
  307   2HB   CYS  35           HB2      CYS  35 -33.810  -7.625   8.176
  308    H    ASN  36           HN       ASN  36 -32.079  -8.604  10.457
  309    HA   ASN  36           HA       ASN  36 -31.869  -6.001  11.902
  310   1HB   ASN  36           HB1      ASN  36 -29.810  -8.256  11.815
  311   2HB   ASN  36           HB2      ASN  36 -31.120  -8.243  12.993
  312   1HD2  ASN  36          HD21      ASN  36 -31.086  -6.583  14.656
  313   2HD2  ASN  36          HD22      ASN  36 -29.698  -5.652  14.956
  314    H    PHE  37           HN       PHE  37 -31.591  -7.181   8.927
  315    HA   PHE  37           HA       PHE  37 -28.969  -6.215   8.137
  316   1HB   PHE  37           HB1      PHE  37 -31.297  -6.523   6.226
  317   2HB   PHE  37           HB2      PHE  37 -30.611  -7.963   6.979
  318    HD1  PHE  37           HD2      PHE  37 -28.100  -8.375   6.729
  319    HD2  PHE  37           HD1      PHE  37 -30.168  -5.449   4.428
  320    HE1  PHE  37           HE2      PHE  37 -26.251  -8.334   5.112
  321    HE2  PHE  37           HE1      PHE  37 -28.316  -5.410   2.816
  322    HZ   PHE  37           HZ       PHE  37 -26.356  -6.851   3.158
  323    H    SER  38           HN       SER  38 -28.843  -4.529   6.342
  324    HA   SER  38           HA       SER  38 -30.912  -2.471   6.484
  325   1HB   SER  38           HB1      SER  38 -28.090  -1.757   7.383
  326   2HB   SER  38           HB2      SER  38 -29.360  -2.190   8.535
  327    HG   SER  38           HG1      SER  38 -29.084   0.055   6.978
  328    H    PHE  39           HN       PHE  39 -30.299  -0.543   5.159
  329    HA   PHE  39           HA       PHE  39 -28.372  -1.263   3.001
  330   1HB   PHE  39           HB1      PHE  39 -30.032  -0.750   1.329
  331   2HB   PHE  39           HB2      PHE  39 -31.085   0.022   2.514
  332    HD1  PHE  39           HD2      PHE  39 -32.130  -1.412   4.325
  333    HD2  PHE  39           HD1      PHE  39 -30.166  -3.128   0.963
  334    HE1  PHE  39           HE2      PHE  39 -33.189  -3.568   4.813
  335    HE2  PHE  39           HE1      PHE  39 -31.229  -5.290   1.455
  336    HZ   PHE  39           HZ       PHE  39 -32.729  -5.513   3.392
  337    H    LYS  40           HN       LYS  40 -27.758   0.581   1.673
  338    HA   LYS  40           HA       LYS  40 -27.324   2.940   3.369
  339   1HB   LYS  40           HB1      LYS  40 -26.396   2.175   0.561
  340   2HB   LYS  40           HB2      LYS  40 -25.468   2.014   2.037
  341   1HG   LYS  40           HG1      LYS  40 -26.379   4.627   0.778
  342   2HG   LYS  40           HG2      LYS  40 -24.733   4.016   0.835
  343   1HD   LYS  40           HD1      LYS  40 -25.205   3.919   3.440
  344   2HD   LYS  40           HD2      LYS  40 -26.405   5.143   3.048
  345   1HE   LYS  40           HE1      LYS  40 -24.321   6.272   3.578
  346   2HE   LYS  40           HE2      LYS  40 -24.598   6.427   1.849
  347   1HZ   LYS  40           HZ1      LYS  40 -23.133   4.488   1.531
  348   2HZ   LYS  40           HZ2      LYS  40 -22.789   4.500   3.193
  349   3HZ   LYS  40           HZ3      LYS  40 -22.340   5.820   2.223
  350    H    THR  41           HN       THR  41 -29.445   1.989   0.847
  351    HA   THR  41           HA       THR  41 -30.303   4.844   0.531
  352    HB   THR  41           HB       THR  41 -30.829   4.368  -1.798
  353    HG1  THR  41           HG1      THR  41 -30.605   2.038  -2.358
  354   1HG2  THR  41          HG21      THR  41 -28.242   4.146  -1.075
  355   2HG2  THR  41          HG22      THR  41 -28.723   3.615  -2.682
  356   3HG2  THR  41          HG23      THR  41 -28.508   2.434  -1.394
  357    H    LYS  42           HN       LYS  42 -32.535   5.206   0.179
  358    HA   LYS  42           HA       LYS  42 -34.190   3.542   1.856
  359   1HB   LYS  42           HB1      LYS  42 -34.958   5.852   0.010
  360   2HB   LYS  42           HB2      LYS  42 -34.429   6.049   1.677
  361   1HG   LYS  42           HG1      LYS  42 -36.585   5.785   2.301
  362   2HG   LYS  42           HG2      LYS  42 -36.461   4.107   1.788
  363   1HD   LYS  42           HD1      LYS  42 -37.113   4.759  -0.510
  364   2HD   LYS  42           HD2      LYS  42 -37.235   6.438   0.001
  365   1HE   LYS  42           HE1      LYS  42 -38.845   5.392   1.853
  366   2HE   LYS  42           HE2      LYS  42 -39.026   4.125   0.647
  367   1HZ   LYS  42           HZ1      LYS  42 -40.567   6.198   0.634
  368   2HZ   LYS  42           HZ2      LYS  42 -40.014   5.531  -0.827
  369   3HZ   LYS  42           HZ3      LYS  42 -39.271   6.921  -0.193
  370    H    GLY  43           HN       GLY  43 -33.443   3.660  -1.477
  371   1HA   GLY  43           HA1      GLY  43 -34.339   2.515  -3.328
  372   2HA   GLY  43           HA2      GLY  43 -35.897   2.542  -2.503
  373    H    ASN  44           HN       ASN  44 -32.715   1.000  -2.055
  374    HA   ASN  44           HA       ASN  44 -33.414  -1.634  -2.487
  375   1HB   ASN  44           HB1      ASN  44 -31.644  -2.142  -0.657
  376   2HB   ASN  44           HB2      ASN  44 -31.549  -0.399  -0.416
  377   1HD2  ASN  44          HD21      ASN  44 -29.441  -2.206  -1.511
  378   2HD2  ASN  44          HD22      ASN  44 -29.079  -1.613  -3.059
  379    H    LEU  45           HN       LEU  45 -34.129   0.323   0.329
  380    HA   LEU  45           HA       LEU  45 -34.926  -1.738   2.099
  381   1HB   LEU  45           HB1      LEU  45 -36.273   0.994   1.814
  382   2HB   LEU  45           HB2      LEU  45 -34.688   0.810   2.543
  383    HG   LEU  45           HG       LEU  45 -36.385   0.897   4.299
  384   1HD1  LEU  45          HD11      LEU  45 -38.330  -0.382   4.371
  385   2HD1  LEU  45          HD12      LEU  45 -37.685  -1.647   3.341
  386   3HD1  LEU  45          HD13      LEU  45 -38.171  -0.111   2.642
  387   1HD2  LEU  45          HD21      LEU  45 -35.682  -2.028   4.263
  388   2HD2  LEU  45          HD22      LEU  45 -35.585  -0.867   5.577
  389   3HD2  LEU  45          HD23      LEU  45 -34.390  -0.841   4.289
  390    H    THR  46           HN       THR  46 -36.972   0.239  -0.048
  391    HA   THR  46           HA       THR  46 -39.369  -1.201   0.380
  392    HB   THR  46           HB       THR  46 -38.395   0.199  -2.187
  393    HG1  THR  46           HG1      THR  46 -39.684   0.938   0.227
  394   1HG2  THR  46          HG21      THR  46 -41.022   0.655  -2.177
  395   2HG2  THR  46          HG22      THR  46 -41.099  -0.774  -1.151
  396   3HG2  THR  46          HG23      THR  46 -40.464  -0.900  -2.788
  397    H    LYS  47           HN       LYS  47 -36.656  -1.841  -1.760
  398    HA   LYS  47           HA       LYS  47 -37.938  -3.910  -3.288
  399   1HB   LYS  47           HB1      LYS  47 -34.992  -3.458  -2.603
  400   2HB   LYS  47           HB2      LYS  47 -35.826  -2.835  -4.021
  401   1HG   LYS  47           HG1      LYS  47 -36.374  -5.276  -4.588
  402   2HG   LYS  47           HG2      LYS  47 -35.208  -5.722  -3.348
  403   1HD   LYS  47           HD1      LYS  47 -33.670  -5.572  -5.023
  404   2HD   LYS  47           HD2      LYS  47 -33.807  -3.833  -4.780
  405   1HE   LYS  47           HE1      LYS  47 -34.185  -4.144  -7.109
  406   2HE   LYS  47           HE2      LYS  47 -35.791  -3.933  -6.424
  407   1HZ   LYS  47           HZ1      LYS  47 -35.800  -6.459  -6.249
  408   2HZ   LYS  47           HZ2      LYS  47 -34.491  -6.418  -7.331
  409   3HZ   LYS  47           HZ3      LYS  47 -35.993  -5.772  -7.791
  410    H    HIS  48           HN       HIS  48 -35.935  -3.982  -0.357
  411    HA   HIS  48           HA       HIS  48 -35.898  -6.841  -0.130
  412   1HB   HIS  48           HB1      HIS  48 -35.577  -4.580   1.898
  413   2HB   HIS  48           HB2      HIS  48 -34.308  -5.573   1.188
  414    HD1  HIS  48           HD1      HIS  48 -34.683  -8.217   1.864
  415    HD2  HIS  48           HD2      HIS  48 -36.417  -5.482   4.359
  416    HE1  HIS  48           HE1      HIS  48 -35.114  -9.423   3.950
  417    H    MET  49           HN       MET  49 -38.211  -4.400   0.818
  418    HA   MET  49           HA       MET  49 -39.749  -6.249   2.486
  419   1HB   MET  49           HB1      MET  49 -41.468  -4.278   2.263
  420   2HB   MET  49           HB2      MET  49 -40.175  -3.427   1.425
  421   1HG   MET  49           HG1      MET  49 -38.689  -3.814   3.362
  422   2HG   MET  49           HG2      MET  49 -39.986  -4.630   4.193
  423   1HE   MET  49           HE1      MET  49 -39.337  -1.563   6.352
  424   2HE   MET  49           HE2      MET  49 -38.407  -2.888   5.652
  425   3HE   MET  49           HE3      MET  49 -39.950  -3.214   6.440
  426    H    LYS  50           HN       LYS  50 -39.991  -4.893  -0.769
  427    HA   LYS  50           HA       LYS  50 -42.549  -5.869  -1.456
  428   1HB   LYS  50           HB1      LYS  50 -40.209  -5.935  -3.396
  429   2HB   LYS  50           HB2      LYS  50 -40.829  -4.396  -2.808
  430   1HG   LYS  50           HG1      LYS  50 -43.103  -5.038  -3.592
  431   2HG   LYS  50           HG2      LYS  50 -42.443  -6.539  -4.230
  432   1HD   LYS  50           HD1      LYS  50 -40.834  -5.118  -5.600
  433   2HD   LYS  50           HD2      LYS  50 -41.776  -3.716  -5.108
  434   1HE   LYS  50           HE1      LYS  50 -42.846  -6.141  -6.587
  435   2HE   LYS  50           HE2      LYS  50 -42.561  -4.553  -7.289
  436   1HZ   LYS  50           HZ1      LYS  50 -44.616  -4.053  -6.702
  437   2HZ   LYS  50           HZ2      LYS  50 -44.128  -4.109  -5.077
  438   3HZ   LYS  50           HZ3      LYS  50 -44.793  -5.488  -5.812
  439    H    SER  51           HN       SER  51 -39.842  -7.619  -0.563
  440    HA   SER  51           HA       SER  51 -40.212  -9.931  -2.275
  441   1HB   SER  51           HB1      SER  51 -38.903  -9.873   0.492
  442   2HB   SER  51           HB2      SER  51 -38.068  -9.322  -0.975
  443    HG   SER  51           HG1      SER  51 -37.768 -11.580  -0.564
  444    H    LYS  52           HN       LYS  52 -40.585 -12.125  -1.134
  445    HA   LYS  52           HA       LYS  52 -43.193 -11.877   0.256
  446   1HB   LYS  52           HB1      LYS  52 -43.375 -13.452  -1.504
  447   2HB   LYS  52           HB2      LYS  52 -43.028 -14.506  -0.141
  448   1HG   LYS  52           HG1      LYS  52 -41.398 -15.276  -1.581
  449   2HG   LYS  52           HG2      LYS  52 -40.498 -13.946  -0.860
  450   1HD   LYS  52           HD1      LYS  52 -40.201 -13.466  -3.117
  451   2HD   LYS  52           HD2      LYS  52 -41.667 -12.548  -2.804
  452   1HE   LYS  52           HE1      LYS  52 -42.987 -14.593  -3.514
  453   2HE   LYS  52           HE2      LYS  52 -41.466 -15.317  -4.022
  454   1HZ   LYS  52           HZ1      LYS  52 -42.933 -13.069  -5.180
  455   2HZ   LYS  52           HZ2      LYS  52 -42.127 -14.351  -5.948
  456   3HZ   LYS  52           HZ3      LYS  52 -41.239 -13.061  -5.292
  457    H    ALA  53           HN       ALA  53 -40.376 -11.573   1.445
  458    HA   ALA  53           HA       ALA  53 -40.020 -13.793   3.250
  459   1HB   ALA  53           HB1      ALA  53 -39.119 -10.883   3.540
  460   2HB   ALA  53           HB2      ALA  53 -38.222 -12.125   2.672
  461   3HB   ALA  53           HB3      ALA  53 -38.448 -12.258   4.413
  462    H    HIS  54           HN       HIS  54 -40.714 -10.470   4.286
  463    HA   HIS  54           HA       HIS  54 -42.965 -11.483   5.915
  464   1HB   HIS  54           HB1      HIS  54 -41.409 -11.588   7.637
  465   2HB   HIS  54           HB2      HIS  54 -41.805  -9.878   7.760
  466    HD1  HIS  54           HD1      HIS  54 -39.182 -12.096   6.393
  467    HD2  HIS  54           HD2      HIS  54 -39.711  -8.100   7.081
  468    HE1  HIS  54           HE1      HIS  54 -36.968 -11.087   6.131
  469    H    SER  55           HN       SER  55 -44.260 -10.277   4.510
  470    HA   SER  55           HA       SER  55 -44.386  -7.419   5.271
  471   1HB   SER  55           HB1      SER  55 -43.116  -7.300   3.183
  472   2HB   SER  55           HB2      SER  55 -44.790  -6.922   2.729
  473    HG   SER  55           HG1      SER  55 -44.297  -9.598   2.892
  474    H    LYS  56           HN       LYS  56 -45.855 -10.227   3.772
  475    HA   LYS  56           HA       LYS  56 -48.440  -9.112   3.304
  476   1HB   LYS  56           HB1      LYS  56 -49.184 -11.490   3.268
  477   2HB   LYS  56           HB2      LYS  56 -47.684 -11.981   4.046
  478   1HG   LYS  56           HG1      LYS  56 -46.400 -11.102   2.114
  479   2HG   LYS  56           HG2      LYS  56 -47.905 -10.630   1.334
  480   1HD   LYS  56           HD1      LYS  56 -48.518 -12.825   0.879
  481   2HD   LYS  56           HD2      LYS  56 -47.624 -13.471   2.249
  482   1HE   LYS  56           HE1      LYS  56 -45.512 -13.151   1.113
  483   2HE   LYS  56           HE2      LYS  56 -46.287 -12.252  -0.184
  484   1HZ   LYS  56           HZ1      LYS  56 -45.738 -14.839  -0.320
  485   2HZ   LYS  56           HZ2      LYS  56 -47.019 -14.115  -1.166
  486   3HZ   LYS  56           HZ3      LYS  56 -47.316 -14.921   0.299
  487    H    LYS  57           HN       LYS  57 -47.846 -11.565   5.787
  488    HA   LYS  57           HA       LYS  57 -50.058 -10.893   7.370
  489   1HB   LYS  57           HB1      LYS  57 -48.764 -12.064   9.222
  490   2HB   LYS  57           HB2      LYS  57 -47.357 -12.077   8.164
  491   1HG   LYS  57           HG1      LYS  57 -48.252 -14.150   7.633
  492   2HG   LYS  57           HG2      LYS  57 -49.100 -13.156   6.453
  493   1HD   LYS  57           HD1      LYS  57 -51.012 -12.938   8.016
  494   2HD   LYS  57           HD2      LYS  57 -50.165 -13.939   9.189
  495   1HE   LYS  57           HE1      LYS  57 -50.558 -14.985   6.401
  496   2HE   LYS  57           HE2      LYS  57 -51.909 -15.032   7.525
  497   1HZ   LYS  57           HZ1      LYS  57 -51.034 -16.803   8.469
  498   2HZ   LYS  57           HZ2      LYS  57 -49.615 -15.947   8.845
  499   3HZ   LYS  57                 LYS  57 -49.743 -16.774   7.367
   
  Start of MODEL          11
 Raw file had 499 H/Q atoms
  Start of MODEL   11
    1   1H    LYS   1           HT1      LYS   1  -8.385  -2.224  -9.800
    2   2H    LYS   1           HT2      LYS   1  -7.888  -3.114 -11.158
    3   3H    LYS   1           HT3      LYS   1  -7.587  -3.709  -9.597
    4    HA   LYS   1           HA       LYS   1  -9.981  -3.825 -11.211
    5   1HB   LYS   1           HB1      LYS   1 -10.285  -5.901  -9.967
    6   2HB   LYS   1           HB2      LYS   1  -9.147  -5.392  -8.725
    7   1HG   LYS   1           HG1      LYS   1  -7.312  -5.428 -10.375
    8   2HG   LYS   1           HG2      LYS   1  -8.445  -5.904 -11.636
    9   1HD   LYS   1           HD1      LYS   1  -8.674  -7.640  -9.307
   10   2HD   LYS   1           HD2      LYS   1  -7.028  -7.628  -9.930
   11   1HE   LYS   1           HE1      LYS   1  -7.813  -8.204 -12.162
   12   2HE   LYS   1           HE2      LYS   1  -9.490  -8.051 -11.654
   13   1HZ   LYS   1           HZ1      LYS   1  -9.238 -10.271 -11.444
   14   2HZ   LYS   1           HZ2      LYS   1  -8.694  -9.822  -9.898
   15   3HZ   LYS   1           HZ3      LYS   1  -7.573 -10.182 -11.122
   16    OH   TYR   2           OH       TYR   2  -7.168   2.456  -8.541
   17    H    TYR   2           HN       TYR   2 -11.080  -1.905 -10.625
   18    HA   TYR   2           HA       TYR   2 -11.840  -1.600  -7.778
   19   1HB   TYR   2           HB1      TYR   2 -12.960   0.482  -8.609
   20   2HB   TYR   2           HB2      TYR   2 -12.532   0.046 -10.260
   21    HD1  TYR   2           HD2      TYR   2 -11.108   0.906  -6.941
   22    HD2  TYR   2           HD1      TYR   2 -10.332   0.472 -11.098
   23    HE1  TYR   2           HE2      TYR   2  -8.935   2.003  -6.649
   24    HE2  TYR   2           HE1      TYR   2  -8.152   1.555 -10.805
   25    HH   TYR   2           HH       TYR   2  -6.975   2.485  -7.601
   26    H    ILE   3           HN       ILE   3 -12.859  -3.910  -8.526
   27    HA   ILE   3           HA       ILE   3 -15.755  -3.325  -9.008
   28    HB   ILE   3           HB       ILE   3 -14.309  -5.907  -9.752
   29   1HG1  ILE   3          HG11      ILE   3 -13.298  -4.073 -11.030
   30   2HG1  ILE   3          HG12      ILE   3 -14.891  -3.483 -11.491
   31   1HG2  ILE   3          HG21      ILE   3 -16.337  -6.450 -10.856
   32   2HG2  ILE   3          HG22      ILE   3 -16.805  -4.763 -11.039
   33   3HG2  ILE   3          HG23      ILE   3 -16.945  -5.549  -9.470
   34   1HD1  ILE   3           HD1      ILE   3 -15.319  -5.364 -12.863
   35   2HD1  ILE   3           HD2      ILE   3 -14.060  -6.325 -12.092
   36   3HD1  ILE   3           HD3      ILE   3 -13.623  -5.009 -13.177
   37    H    CYS   4           HN       CYS   4 -17.161  -4.185  -7.555
   38    HA   CYS   4           HA       CYS   4 -16.047  -5.331  -5.164
   39   1HB   CYS   4           HB1      CYS   4 -18.088  -3.891  -5.202
   40   2HB   CYS   4           HB2      CYS   4 -18.917  -5.179  -6.009
   41    H    GLU   5           HN       GLU   5 -15.290  -7.320  -5.198
   42    HA   GLU   5           HA       GLU   5 -16.098  -9.371  -6.949
   43   1HB   GLU   5           HB1      GLU   5 -14.911 -10.883  -5.400
   44   2HB   GLU   5           HB2      GLU   5 -15.033  -9.700  -4.104
   45   1HG   GLU   5           HG1      GLU   5 -13.466  -8.256  -5.102
   46   2HG   GLU   5           HG2      GLU   5 -13.705  -8.950  -6.704
   47    H    GLU   6           HN       GLU   6 -17.701  -8.061  -4.254
   48    HA   GLU   6           HA       GLU   6 -19.295 -10.470  -3.786
   49   1HB   GLU   6           HB1      GLU   6 -19.811  -7.758  -2.533
   50   2HB   GLU   6           HB2      GLU   6 -18.443  -8.726  -1.998
   51   1HG   GLU   6           HG1      GLU   6 -20.384  -9.215  -0.581
   52   2HG   GLU   6           HG2      GLU   6 -20.005 -10.632  -1.556
   53    H    CYS   7           HN       CYS   7 -20.214  -7.051  -4.243
   54    HA   CYS   7           HA       CYS   7 -22.832  -7.756  -5.233
   55   1HB   CYS   7           HB1      CYS   7 -22.967  -5.367  -5.841
   56   2HB   CYS   7           HB2      CYS   7 -21.255  -5.193  -5.657
   57    H    GLY   8           HN       GLY   8 -20.015  -6.336  -6.848
   58   1HA   GLY   8           HA1      GLY   8 -20.954  -7.557  -9.414
   59   2HA   GLY   8           HA2      GLY   8 -19.253  -7.354  -8.998
   60    H    ILE   9           HN       ILE   9 -20.367  -4.714  -7.712
   61    HA   ILE   9           HA       ILE   9 -21.213  -3.015  -9.806
   62    HB   ILE   9           HB       ILE   9 -21.172  -2.577  -7.260
   63   1HG1  ILE   9          HG11      ILE   9 -20.447  -0.639  -9.422
   64   2HG1  ILE   9          HG12      ILE   9 -20.381  -0.075  -7.755
   65   1HG2  ILE   9          HG21      ILE   9 -18.417  -1.437  -7.838
   66   2HG2  ILE   9          HG22      ILE   9 -18.579  -3.113  -7.335
   67   3HG2  ILE   9          HG23      ILE   9 -19.136  -1.822  -6.279
   68   1HD1  ILE   9           HD1      ILE   9 -22.782  -1.597  -8.765
   69   2HD1  ILE   9           HD2      ILE   9 -22.644   0.137  -9.037
   70   3HD1  ILE   9           HD3      ILE   9 -22.677  -0.498  -7.394
   71    NH1  ARG  10           NH1      ARG  10 -17.165  -4.625 -17.525
   72    NH2  ARG  10           NH2      ARG  10 -18.882  -5.590 -16.367
   73    H    ARG  10           HN       ARG  10 -20.141  -1.750 -11.259
   74    HA   ARG  10           HA       ARG  10 -17.206  -2.258 -11.525
   75   1HB   ARG  10           HB1      ARG  10 -19.186  -1.368 -13.671
   76   2HB   ARG  10           HB2      ARG  10 -18.813  -3.056 -13.356
   77   1HG   ARG  10           HG1      ARG  10 -16.323  -1.675 -13.583
   78   2HG   ARG  10           HG2      ARG  10 -17.327  -1.156 -14.929
   79   1HD   ARG  10           HD1      ARG  10 -16.822  -4.052 -14.159
   80   2HD   ARG  10           HD2      ARG  10 -16.034  -3.207 -15.491
   81    HE   ARG  10           HE       ARG  10 -18.888  -2.997 -15.758
   82   1HH1  ARG  10          HH11      ARG  10 -16.541  -3.853 -17.646
   83   2HH1  ARG  10          HH12      ARG  10 -17.114  -5.411 -18.142
   84   1HH2  ARG  10          HH21      ARG  10 -19.544  -5.540 -15.619
   85   2HH2  ARG  10          HH22      ARG  10 -18.860  -6.391 -16.963
   86    H    ABA  11           HN       ABU  11 -16.215  -0.543 -10.589
   87    HA   ABA  11           HA       ABU  11 -16.952   2.167 -11.630
   88   1HB   ABA  11           HB1      ABU  11 -16.602   3.094  -9.419
   89   2HB   ABA  11           HB2      ABU  11 -15.940   1.589  -8.820
   90   1HG   ABA  11           HG1      ABU  11 -18.136   0.495  -9.125
   91   2HG   ABA  11           HG2      ABU  11 -18.801   2.004  -9.735
   92   3HG   ABA  11           HG3      ABU  11 -18.274   1.887  -8.060
   93    H    LYS  12           HN       LYS  12 -15.245   1.855 -13.146
   94    HA   LYS  12           HA       LYS  12 -12.611   1.148 -12.686
   95   1HB   LYS  12           HB1      LYS  12 -12.055   2.548 -14.627
   96   2HB   LYS  12           HB2      LYS  12 -13.509   3.511 -14.395
   97   1HG   LYS  12           HG1      LYS  12 -14.928   1.622 -14.921
   98   2HG   LYS  12           HG2      LYS  12 -13.553   0.524 -14.926
   99   1HD   LYS  12           HD1      LYS  12 -13.263   2.846 -16.732
  100   2HD   LYS  12           HD2      LYS  12 -14.567   1.747 -17.169
  101   1HE   LYS  12           HE1      LYS  12 -11.807   0.722 -16.481
  102   2HE   LYS  12           HE2      LYS  12 -12.212   1.231 -18.115
  103   1HZ   LYS  12           HZ1      LYS  12 -13.022  -0.788 -18.407
  104   2HZ   LYS  12           HZ2      LYS  12 -14.284  -0.386 -17.343
  105   3HZ   LYS  12           HZ3      LYS  12 -12.894  -1.169 -16.757
  106    H    LYS  13           HN       LYS  13 -14.223   3.927 -11.431
  107    HA   LYS  13           HA       LYS  13 -11.641   5.245 -10.846
  108   1HB   LYS  13           HB1      LYS  13 -13.042   7.163 -10.140
  109   2HB   LYS  13           HB2      LYS  13 -14.490   6.171 -10.283
  110   1HG   LYS  13           HG1      LYS  13 -14.019   5.855 -12.703
  111   2HG   LYS  13           HG2      LYS  13 -12.597   6.882 -12.551
  112   1HD   LYS  13           HD1      LYS  13 -14.137   8.479 -13.214
  113   2HD   LYS  13           HD2      LYS  13 -14.379   8.559 -11.473
  114   1HE   LYS  13           HE1      LYS  13 -16.576   8.282 -12.198
  115   2HE   LYS  13           HE2      LYS  13 -16.108   6.607 -11.937
  116   1HZ   LYS  13           HZ1      LYS  13 -15.299   7.123 -14.480
  117   2HZ   LYS  13           HZ2      LYS  13 -16.775   7.953 -14.367
  118   3HZ   LYS  13           HZ3      LYS  13 -16.710   6.289 -14.031
  119    HA   PRO  14           HA       PRO  14 -11.566   3.658  -6.676
  120   1HB   PRO  14           HB1      PRO  14  -9.517   4.513  -6.060
  121   2HB   PRO  14           HB2      PRO  14 -10.338   5.969  -5.499
  122   1HG   PRO  14           HG1      PRO  14  -8.558   5.803  -7.703
  123   2HG   PRO  14           HG2      PRO  14  -9.602   7.171  -7.314
  124   1HD   PRO  14           HD1      PRO  14 -10.754   6.722  -9.245
  125   2HD   PRO  14           HD2      PRO  14  -9.875   5.194  -9.454
  126    H    SER  15           HN       SER  15 -11.840   7.193  -6.324
  127    HA   SER  15           HA       SER  15 -13.322   7.573  -4.129
  128   1HB   SER  15           HB1      SER  15 -12.844   9.282  -6.040
  129   2HB   SER  15           HB2      SER  15 -14.390   9.500  -5.195
  130    HG   SER  15           HG1      SER  15 -14.236   9.218  -7.681
  131    H    MET  16           HN       MET  16 -14.852   6.487  -7.154
  132    HA   MET  16           HA       MET  16 -17.463   6.232  -5.977
  133   1HB   MET  16           HB1      MET  16 -17.726   4.603  -8.037
  134   2HB   MET  16           HB2      MET  16 -16.104   5.142  -8.460
  135   1HG   MET  16           HG1      MET  16 -17.456   6.661  -9.594
  136   2HG   MET  16           HG2      MET  16 -17.005   7.522  -8.148
  137   1HE   MET  16           HE1      MET  16 -21.062   6.462  -9.740
  138   2HE   MET  16           HE2      MET  16 -19.619   5.476  -9.978
  139   3HE   MET  16           HE3      MET  16 -19.657   7.139 -10.565
  140    H    LEU  17           HN       LEU  17 -14.919   3.830  -6.697
  141    HA   LEU  17           HA       LEU  17 -16.370   1.655  -5.497
  142   1HB   LEU  17           HB1      LEU  17 -13.341   1.834  -5.712
  143   2HB   LEU  17           HB2      LEU  17 -14.325   1.624  -7.142
  144    HG   LEU  17           HG       LEU  17 -13.470  -0.550  -6.250
  145   1HD1  LEU  17          HD11      LEU  17 -13.622   0.281  -3.820
  146   2HD1  LEU  17          HD12      LEU  17 -14.062  -1.392  -4.130
  147   3HD1  LEU  17          HD13      LEU  17 -15.314  -0.187  -3.889
  148   1HD2  LEU  17          HD21      LEU  17 -15.833  -0.204  -7.371
  149   2HD2  LEU  17          HD22      LEU  17 -16.448  -0.630  -5.786
  150   3HD2  LEU  17          HD23      LEU  17 -15.421  -1.755  -6.663
  151    H    LYS  18           HN       LYS  18 -13.519   3.485  -4.388
  152    HA   LYS  18           HA       LYS  18 -13.052   2.561  -1.891
  153   1HB   LYS  18           HB1      LYS  18 -12.762   5.037  -1.182
  154   2HB   LYS  18           HB2      LYS  18 -13.372   5.462  -2.776
  155   1HG   LYS  18           HG1      LYS  18 -11.565   4.105  -3.814
  156   2HG   LYS  18           HG2      LYS  18 -10.938   3.732  -2.214
  157   1HD   LYS  18           HD1      LYS  18 -11.224   6.529  -3.373
  158   2HD   LYS  18           HD2      LYS  18  -9.715   5.631  -3.266
  159   1HE   LYS  18           HE1      LYS  18 -10.429   5.431  -0.699
  160   2HE   LYS  18           HE2      LYS  18 -11.329   6.893  -1.081
  161   1HZ   LYS  18           HZ1      LYS  18  -9.103   7.637  -2.120
  162   2HZ   LYS  18           HZ2      LYS  18  -8.428   6.440  -1.122
  163   3HZ   LYS  18           HZ3      LYS  18  -9.310   7.719  -0.436
  164    H    LYS  19           HN       LYS  19 -15.683   4.843  -2.619
  165    HA   LYS  19           HA       LYS  19 -16.726   4.785   0.046
  166   1HB   LYS  19           HB1      LYS  19 -18.871   5.573  -1.386
  167   2HB   LYS  19           HB2      LYS  19 -17.658   5.752  -2.650
  168   1HG   LYS  19           HG1      LYS  19 -16.310   7.191  -1.159
  169   2HG   LYS  19           HG2      LYS  19 -17.510   7.003   0.114
  170   1HD   LYS  19           HD1      LYS  19 -19.192   8.132  -1.203
  171   2HD   LYS  19           HD2      LYS  19 -18.163   8.117  -2.631
  172   1HE   LYS  19           HE1      LYS  19 -16.894   9.880  -1.894
  173   2HE   LYS  19           HE2      LYS  19 -16.985   9.374  -0.212
  174   1HZ   LYS  19           HZ1      LYS  19 -18.799  10.599   0.150
  175   2HZ   LYS  19           HZ2      LYS  19 -19.487  10.248  -1.362
  176   3HZ   LYS  19           HZ3      LYS  19 -18.303  11.457  -1.229
  177    H    HIS  20           HN       HIS  20 -17.415   2.994  -2.902
  178    HA   HIS  20           HA       HIS  20 -19.778   1.684  -2.055
  179   1HB   HIS  20           HB1      HIS  20 -17.537   0.611  -3.822
  180   2HB   HIS  20           HB2      HIS  20 -18.899   1.564  -4.400
  181    HD1  HIS  20           HD1      HIS  20 -20.820   0.105  -5.041
  182    HD2  HIS  20           HD2      HIS  20 -18.315  -1.860  -2.506
  183    HE1  HIS  20           HE1      HIS  20 -21.730  -2.159  -4.848
  184    H    ILE  21           HN       ILE  21 -16.378   0.613  -1.805
  185    HA   ILE  21           HA       ILE  21 -17.016  -1.808  -0.435
  186    HB   ILE  21           HB       ILE  21 -14.711  -0.853  -1.476
  187   1HG1  ILE  21          HG11      ILE  21 -15.144  -2.831   0.767
  188   2HG1  ILE  21          HG12      ILE  21 -13.537  -2.562   0.106
  189   1HG2  ILE  21          HG21      ILE  21 -14.637   0.830   0.527
  190   2HG2  ILE  21          HG22      ILE  21 -13.173  -0.074   0.210
  191   3HG2  ILE  21          HG23      ILE  21 -14.235  -0.555   1.527
  192   1HD1  ILE  21           HD1      ILE  21 -15.350  -4.344  -0.930
  193   2HD1  ILE  21           HD2      ILE  21 -14.034  -3.628  -1.852
  194   3HD1  ILE  21           HD3      ILE  21 -15.647  -2.933  -1.938
  195    NH1  ARG  22           NH1      ARG  22 -15.124   6.690   4.710
  196    NH2  ARG  22           NH2      ARG  22 -12.863   6.483   4.953
  197    H    ARG  22           HN       ARG  22 -16.687   1.475   0.671
  198    HA   ARG  22           HA       ARG  22 -16.561   0.735   3.496
  199   1HB   ARG  22           HB1      ARG  22 -17.280   3.264   3.685
  200   2HB   ARG  22           HB2      ARG  22 -17.066   3.303   1.939
  201   1HG   ARG  22           HG1      ARG  22 -14.744   2.418   2.247
  202   2HG   ARG  22           HG2      ARG  22 -14.970   2.515   3.989
  203   1HD   ARG  22           HD1      ARG  22 -15.769   5.030   2.976
  204   2HD   ARG  22           HD2      ARG  22 -14.275   4.629   2.133
  205    HE   ARG  22           HE       ARG  22 -13.640   4.041   4.731
  206   1HH1  ARG  22          HH11      ARG  22 -16.000   6.277   4.459
  207   2HH1  ARG  22          HH12      ARG  22 -15.090   7.641   5.017
  208   1HH2  ARG  22          HH21      ARG  22 -12.042   5.916   4.885
  209   2HH2  ARG  22          HH22      ARG  22 -12.790   7.431   5.266
  210    H    THR  23           HN       THR  23 -19.051   0.946   1.155
  211    HA   THR  23           HA       THR  23 -21.152   1.531   3.092
  212    HB   THR  23           HB       THR  23 -21.652   0.188   0.393
  213    HG1  THR  23           HG1      THR  23 -20.825   2.840   1.026
  214   1HG2  THR  23          HG21      THR  23 -22.932   2.734   1.364
  215   2HG2  THR  23          HG22      THR  23 -23.359   1.288   2.275
  216   3HG2  THR  23          HG23      THR  23 -23.696   1.374   0.547
  217    H    HIS  24           HN       HIS  24 -19.277  -1.166   2.539
  218    HA   HIS  24           HA       HIS  24 -21.444  -3.101   3.153
  219   1HB   HIS  24           HB1      HIS  24 -19.307  -4.689   3.148
  220   2HB   HIS  24           HB2      HIS  24 -18.504  -3.311   2.404
  221    HD1  HIS  24           HD1      HIS  24 -21.705  -5.200   1.748
  222    HD2  HIS  24           HD2      HIS  24 -18.703  -3.357  -0.305
  223    HE1  HIS  24           HE1      HIS  24 -22.227  -5.526  -0.653
  224    H    THR  25           HN       THR  25 -19.732  -0.975   4.910
  225    HA   THR  25           HA       THR  25 -18.971  -2.803   7.102
  226    HB   THR  25           HB       THR  25 -18.538  -0.378   8.179
  227    HG1  THR  25           HG1      THR  25 -18.171   0.897   6.093
  228   1HG2  THR  25          HG21      THR  25 -16.541  -1.539   7.433
  229   2HG2  THR  25          HG22      THR  25 -16.547  -0.063   6.475
  230   3HG2  THR  25          HG23      THR  25 -17.108  -1.573   5.767
  231    H    ASP  26           HN       ASP  26 -20.325   0.245   7.873
  232    HA   ASP  26           HA       ASP  26 -22.972  -0.796   8.522
  233   1HB   ASP  26           HB1      ASP  26 -22.595  -0.105  11.014
  234   2HB   ASP  26           HB2      ASP  26 -20.873  -0.178  10.647
  235    H    VAL  27           HN       VAL  27 -21.691   1.279   6.994
  236    HA   VAL  27           HA       VAL  27 -22.483   3.750   8.410
  237    HB   VAL  27           HB       VAL  27 -20.348   3.763   7.226
  238   1HG1  VAL  27          HG11      VAL  27 -21.983   2.787   4.881
  239   2HG1  VAL  27          HG12      VAL  27 -20.668   1.947   5.695
  240   3HG1  VAL  27          HG13      VAL  27 -20.332   3.377   4.727
  241   1HG2  VAL  27          HG21      VAL  27 -20.629   5.834   6.325
  242   2HG2  VAL  27          HG22      VAL  27 -22.315   5.651   6.798
  243   3HG2  VAL  27          HG23      VAL  27 -21.813   5.258   5.156
  244    NH1  ARG  28           NH1      ARG  28 -24.442  -2.981   5.715
  245    NH2  ARG  28           NH2      ARG  28 -24.915  -2.076   7.759
  246    H    ARG  28           HN       ARG  28 -24.628   2.167   7.919
  247    HA   ARG  28           HA       ARG  28 -26.069   3.545   5.682
  248   1HB   ARG  28           HB1      ARG  28 -27.563   1.423   5.843
  249   2HB   ARG  28           HB2      ARG  28 -26.283   0.735   6.836
  250   1HG   ARG  28           HG1      ARG  28 -24.788   1.629   4.777
  251   2HG   ARG  28           HG2      ARG  28 -26.294   1.341   3.920
  252   1HD   ARG  28           HD1      ARG  28 -24.911  -0.694   3.890
  253   2HD   ARG  28           HD2      ARG  28 -26.361  -0.968   4.855
  254    HE   ARG  28           HE       ARG  28 -23.986  -0.080   6.359
  255   1HH1  ARG  28          HH11      ARG  28 -24.240  -2.846   4.744
  256   2HH1  ARG  28          HH12      ARG  28 -24.487  -3.906   6.092
  257   1HH2  ARG  28          HH21      ARG  28 -25.067  -1.263   8.321
  258   2HH2  ARG  28          HH22      ARG  28 -24.968  -2.986   8.170
  259    HA   PRO  29           HA       PRO  29 -27.919   4.782   9.784
  260   1HB   PRO  29           HB1      PRO  29 -27.665   7.059   9.769
  261   2HB   PRO  29           HB2      PRO  29 -28.799   7.215   8.427
  262   1HG   PRO  29           HG1      PRO  29 -25.879   7.356   8.360
  263   2HG   PRO  29           HG2      PRO  29 -27.021   7.699   7.059
  264   1HD   PRO  29           HD1      PRO  29 -26.605   5.685   6.089
  265   2HD   PRO  29           HD2      PRO  29 -25.323   5.417   7.281
  266    OH   TYR  30           OH       TYR  30 -30.706   9.724   4.050
  267    H    TYR  30           HN       TYR  30 -29.152   4.206   6.665
  268    HA   TYR  30           HA       TYR  30 -31.941   4.775   7.480
  269   1HB   TYR  30           HB1      TYR  30 -32.454   3.943   5.134
  270   2HB   TYR  30           HB2      TYR  30 -30.738   3.645   4.908
  271    HD1  TYR  30           HD1      TYR  30 -33.084   6.370   5.941
  272    HD2  TYR  30           HD2      TYR  30 -29.392   5.394   4.066
  273    HE1  TYR  30           HE1      TYR  30 -32.759   8.726   5.351
  274    HE2  TYR  30           HE2      TYR  30 -29.061   7.753   3.493
  275    HH   TYR  30           HH       TYR  30 -29.779   9.852   3.838
  276    H    HIS  31           HN       HIS  31 -31.564   3.126   9.270
  277    HA   HIS  31           HA       HIS  31 -31.689   0.309   8.412
  278   1HB   HIS  31           HB1      HIS  31 -31.809  -0.112  10.899
  279   2HB   HIS  31           HB2      HIS  31 -31.887   1.626  11.165
  280    HD1  HIS  31           HD1      HIS  31 -29.515  -0.993  10.577
  281    HD2  HIS  31           HD2      HIS  31 -29.487   3.055  10.320
  282    HE1  HIS  31           HE1      HIS  31 -27.166  -0.389  10.496
  283    H    CYS  32           HN       CYS  32 -33.528  -0.857   8.163
  284    HA   CYS  32           HA       CYS  32 -36.078   0.394   8.180
  285   1HB   CYS  32           HB1      CYS  32 -35.137  -2.487   8.239
  286   2HB   CYS  32           HB2      CYS  32 -35.921  -1.629   6.937
  287    H    THR  33           HN       THR  33 -37.611   0.641   9.731
  288    HA   THR  33           HA       THR  33 -36.869   0.548  12.478
  289    HB   THR  33           HB       THR  33 -39.701   0.509  11.261
  290    HG1  THR  33           HG1      THR  33 -37.746   2.164  10.947
  291   1HG2  THR  33          HG21      THR  33 -38.528   1.470  13.935
  292   2HG2  THR  33          HG22      THR  33 -39.751   0.219  13.739
  293   3HG2  THR  33          HG23      THR  33 -40.142   1.898  13.379
  294    OH   TYR  34           OH       TYR  34 -43.916  -0.325  10.871
  295    H    TYR  34           HN       TYR  34 -38.170  -1.868  10.382
  296    HA   TYR  34           HA       TYR  34 -38.784  -3.637  12.687
  297   1HB   TYR  34           HB1      TYR  34 -39.973  -5.022  11.057
  298   2HB   TYR  34           HB2      TYR  34 -39.256  -4.142   9.712
  299    HD1  TYR  34           HD2      TYR  34 -39.763  -1.582   9.595
  300    HD2  TYR  34           HD1      TYR  34 -42.037  -4.301  11.947
  301    HE1  TYR  34           HE2      TYR  34 -41.611   0.023   9.660
  302    HE2  TYR  34           HE1      TYR  34 -43.890  -2.694  12.002
  303    HH   TYR  34           HH       TYR  34 -43.754   0.289  11.592
  304    H    CYS  35           HN       CYS  35 -37.500  -4.428   9.465
  305    HA   CYS  35           HA       CYS  35 -35.911  -6.598  10.434
  306   1HB   CYS  35           HB1      CYS  35 -35.002  -6.700   8.233
  307   2HB   CYS  35           HB2      CYS  35 -35.200  -4.991   7.977
  308    H    ASN  36           HN       ASN  36 -33.466  -6.454   9.477
  309    HA   ASN  36           HA       ASN  36 -32.179  -4.278  11.076
  310   1HB   ASN  36           HB1      ASN  36 -31.288  -7.130  10.416
  311   2HB   ASN  36           HB2      ASN  36 -31.704  -6.503  12.008
  312   1HD2  ASN  36          HD21      ASN  36 -30.310  -3.922  11.609
  313   2HD2  ASN  36          HD22      ASN  36 -28.649  -4.263  11.668
  314    H    PHE  37           HN       PHE  37 -32.860  -5.201   8.012
  315    HA   PHE  37           HA       PHE  37 -30.289  -4.716   6.745
  316   1HB   PHE  37           HB1      PHE  37 -32.918  -4.381   5.297
  317   2HB   PHE  37           HB2      PHE  37 -32.509  -5.986   5.905
  318    HD1  PHE  37           HD2      PHE  37 -29.980  -6.721   5.393
  319    HD2  PHE  37           HD1      PHE  37 -32.152  -3.817   3.164
  320    HE1  PHE  37           HE2      PHE  37 -28.476  -7.060   3.481
  321    HE2  PHE  37           HE1      PHE  37 -30.646  -4.159   1.255
  322    HZ   PHE  37           HZ       PHE  37 -28.808  -5.780   1.412
  323    H    SER  38           HN       SER  38 -29.435  -2.817   6.191
  324    HA   SER  38           HA       SER  38 -31.223  -0.425   6.273
  325   1HB   SER  38           HB1      SER  38 -28.261  -0.485   7.005
  326   2HB   SER  38           HB2      SER  38 -29.554  -0.624   8.205
  327    HG   SER  38           HG1      SER  38 -29.382   1.427   6.253
  328    H    PHE  39           HN       PHE  39 -30.230   1.459   5.139
  329    HA   PHE  39           HA       PHE  39 -28.754   0.578   2.704
  330   1HB   PHE  39           HB1      PHE  39 -30.316   1.805   1.327
  331   2HB   PHE  39           HB2      PHE  39 -31.028   2.600   2.731
  332    HD1  PHE  39           HD2      PHE  39 -32.499   1.338   4.271
  333    HD2  PHE  39           HD1      PHE  39 -30.900  -0.507   0.781
  334    HE1  PHE  39           HE2      PHE  39 -34.076  -0.527   4.529
  335    HE2  PHE  39           HE1      PHE  39 -32.501  -2.353   1.029
  336    HZ   PHE  39           HZ       PHE  39 -34.089  -2.364   2.905
  337    H    LYS  40           HN       LYS  40 -27.777   2.393   1.545
  338    HA   LYS  40           HA       LYS  40 -26.616   4.286   3.486
  339   1HB   LYS  40           HB1      LYS  40 -26.015   3.606   0.577
  340   2HB   LYS  40           HB2      LYS  40 -25.125   3.053   1.973
  341   1HG   LYS  40           HG1      LYS  40 -25.315   5.917   0.978
  342   2HG   LYS  40           HG2      LYS  40 -23.894   4.887   0.939
  343   1HD   LYS  40           HD1      LYS  40 -24.274   4.701   3.521
  344   2HD   LYS  40           HD2      LYS  40 -25.218   6.166   3.316
  345   1HE   LYS  40           HE1      LYS  40 -22.283   5.726   2.819
  346   2HE   LYS  40           HE2      LYS  40 -23.067   7.015   3.724
  347   1HZ   LYS  40           HZ1      LYS  40 -23.528   6.732   0.830
  348   2HZ   LYS  40           HZ2      LYS  40 -22.137   7.518   1.408
  349   3HZ   LYS  40           HZ3      LYS  40 -23.678   8.112   1.809
  350    H    THR  41           HN       THR  41 -29.070   4.207   1.157
  351    HA   THR  41           HA       THR  41 -29.214   7.186   1.230
  352    HB   THR  41           HB       THR  41 -29.656   7.274  -1.155
  353    HG1  THR  41           HG1      THR  41 -30.344   5.449  -2.185
  354   1HG2  THR  41          HG21      THR  41 -27.229   6.463  -0.560
  355   2HG2  THR  41          HG22      THR  41 -27.785   6.051  -2.179
  356   3HG2  THR  41          HG23      THR  41 -27.807   4.835  -0.905
  357    H    LYS  42           HN       LYS  42 -31.315   8.047   0.904
  358    HA   LYS  42           HA       LYS  42 -33.336   6.541   2.265
  359   1HB   LYS  42           HB1      LYS  42 -33.811   9.037   0.598
  360   2HB   LYS  42           HB2      LYS  42 -32.999   9.123   2.157
  361   1HG   LYS  42           HG1      LYS  42 -34.929   8.760   3.311
  362   2HG   LYS  42           HG2      LYS  42 -35.475   7.522   2.186
  363   1HD   LYS  42           HD1      LYS  42 -36.316   9.155   0.649
  364   2HD   LYS  42           HD2      LYS  42 -35.487  10.467   1.481
  365   1HE   LYS  42           HE1      LYS  42 -37.755   8.792   2.610
  366   2HE   LYS  42           HE2      LYS  42 -37.875  10.463   2.075
  367   1HZ   LYS  42           HZ1      LYS  42 -35.933  10.756   3.783
  368   2HZ   LYS  42           HZ2      LYS  42 -36.619   9.364   4.472
  369   3HZ   LYS  42           HZ3      LYS  42 -37.555  10.767   4.283
  370    H    GLY  43           HN       GLY  43 -32.338   6.677  -0.965
  371   1HA   GLY  43           HA1      GLY  43 -33.252   5.762  -2.927
  372   2HA   GLY  43           HA2      GLY  43 -34.821   6.297  -2.330
  373    H    ASN  44           HN       ASN  44 -32.422   3.714  -2.032
  374    HA   ASN  44           HA       ASN  44 -34.101   1.557  -2.395
  375   1HB   ASN  44           HB1      ASN  44 -32.459   0.374  -0.709
  376   2HB   ASN  44           HB2      ASN  44 -31.645   1.935  -0.648
  377   1HD2  ASN  44          HD21      ASN  44 -29.757   1.111  -1.782
  378   2HD2  ASN  44          HD22      ASN  44 -29.807   0.739  -3.438
  379    H    LEU  45           HN       LEU  45 -33.514   3.278   0.639
  380    HA   LEU  45           HA       LEU  45 -34.926   1.591   2.385
  381   1HB   LEU  45           HB1      LEU  45 -34.719   4.650   2.319
  382   2HB   LEU  45           HB2      LEU  45 -33.640   3.557   3.158
  383    HG   LEU  45           HG       LEU  45 -35.070   4.396   4.864
  384   1HD1  LEU  45          HD11      LEU  45 -37.220   5.090   4.588
  385   2HD1  LEU  45          HD12      LEU  45 -37.694   3.636   3.726
  386   3HD1  LEU  45          HD13      LEU  45 -36.898   4.943   2.869
  387   1HD2  LEU  45          HD21      LEU  45 -36.432   1.792   4.112
  388   2HD2  LEU  45          HD22      LEU  45 -36.134   2.439   5.719
  389   3HD2  LEU  45          HD23      LEU  45 -34.792   1.858   4.742
  390    H    THR  46           HN       THR  46 -36.170   4.327   0.483
  391    HA   THR  46           HA       THR  46 -38.877   4.105   1.296
  392    HB   THR  46           HB       THR  46 -37.858   4.941  -1.485
  393    HG1  THR  46           HG1      THR  46 -37.192   6.702  -0.483
  394   1HG2  THR  46          HG21      THR  46 -40.125   6.076   0.235
  395   2HG2  THR  46          HG22      THR  46 -40.430   4.811  -0.951
  396   3HG2  THR  46          HG23      THR  46 -39.831   6.383  -1.474
  397    H    LYS  47           HN       LYS  47 -37.060   2.373  -1.168
  398    HA   LYS  47           HA       LYS  47 -39.380   1.126  -2.358
  399   1HB   LYS  47           HB1      LYS  47 -37.627  -0.471  -3.297
  400   2HB   LYS  47           HB2      LYS  47 -36.420   0.367  -2.329
  401   1HG   LYS  47           HG1      LYS  47 -37.003   2.499  -3.456
  402   2HG   LYS  47           HG2      LYS  47 -38.194   1.659  -4.436
  403   1HD   LYS  47           HD1      LYS  47 -35.208   1.078  -4.402
  404   2HD   LYS  47           HD2      LYS  47 -36.056   1.956  -5.667
  405   1HE   LYS  47           HE1      LYS  47 -36.123  -0.972  -5.020
  406   2HE   LYS  47           HE2      LYS  47 -36.031  -0.181  -6.587
  407   1HZ   LYS  47           HZ1      LYS  47 -38.373  -0.731  -4.921
  408   2HZ   LYS  47           HZ2      LYS  47 -38.171  -0.901  -6.597
  409   3HZ   LYS  47           HZ3      LYS  47 -38.398   0.641  -5.922
  410    H    HIS  48           HN       HIS  48 -37.441   0.447   0.443
  411    HA   HIS  48           HA       HIS  48 -38.421  -2.315   0.656
  412   1HB   HIS  48           HB1      HIS  48 -36.878  -0.532   2.612
  413   2HB   HIS  48           HB2      HIS  48 -36.179  -1.753   1.552
  414    HD1  HIS  48           HD1      HIS  48 -37.193  -4.221   2.094
  415    HD2  HIS  48           HD2      HIS  48 -37.608  -1.490   5.108
  416    HE1  HIS  48           HE1      HIS  48 -37.650  -5.538   4.105
  417    H    MET  49           HN       MET  49 -39.375   0.828   1.690
  418    HA   MET  49           HA       MET  49 -41.220  -0.285   3.726
  419   1HB   MET  49           HB1      MET  49 -41.755   2.213   4.041
  420   2HB   MET  49           HB2      MET  49 -40.507   2.551   2.846
  421   1HG   MET  49           HG1      MET  49 -39.611   2.701   5.123
  422   2HG   MET  49           HG2      MET  49 -38.840   1.432   4.211
  423   1HE   MET  49           HE1      MET  49 -37.897   1.186   6.802
  424   2HE   MET  49           HE2      MET  49 -38.938   0.697   8.138
  425   3HE   MET  49           HE3      MET  49 -39.134   2.289   7.404
  426    H    LYS  50           HN       LYS  50 -41.211   1.050   0.512
  427    HA   LYS  50           HA       LYS  50 -44.001   1.666   0.323
  428   1HB   LYS  50           HB1      LYS  50 -42.223   0.645  -1.936
  429   2HB   LYS  50           HB2      LYS  50 -42.103   2.288  -1.317
  430   1HG   LYS  50           HG1      LYS  50 -44.115   2.923  -2.233
  431   2HG   LYS  50           HG2      LYS  50 -44.843   1.340  -1.991
  432   1HD   LYS  50           HD1      LYS  50 -44.491   1.808  -4.402
  433   2HD   LYS  50           HD2      LYS  50 -43.528   0.434  -3.873
  434   1HE   LYS  50           HE1      LYS  50 -41.525   1.641  -3.943
  435   2HE   LYS  50           HE2      LYS  50 -42.335   3.191  -3.753
  436   1HZ   LYS  50           HZ1      LYS  50 -42.265   3.413  -5.932
  437   2HZ   LYS  50           HZ2      LYS  50 -43.287   2.067  -6.100
  438   3HZ   LYS  50           HZ3      LYS  50 -41.602   1.862  -6.121
  439    H    SER  51           HN       SER  51 -42.191  -1.221  -0.722
  440    HA   SER  51           HA       SER  51 -44.248  -2.769  -1.737
  441   1HB   SER  51           HB1      SER  51 -42.049  -3.727   0.179
  442   2HB   SER  51           HB2      SER  51 -41.873  -3.556  -1.578
  443    HG   SER  51           HG1      SER  51 -43.681  -5.214  -0.155
  444    H    LYS  52           HN       LYS  52 -45.333  -4.671  -0.668
  445    HA   LYS  52           HA       LYS  52 -46.941  -3.668   1.532
  446   1HB   LYS  52           HB1      LYS  52 -48.028  -5.937   1.365
  447   2HB   LYS  52           HB2      LYS  52 -46.772  -6.435   0.238
  448   1HG   LYS  52           HG1      LYS  52 -47.956  -3.897  -0.565
  449   2HG   LYS  52           HG2      LYS  52 -49.183  -5.150  -0.415
  450   1HD   LYS  52           HD1      LYS  52 -47.989  -6.605  -1.928
  451   2HD   LYS  52           HD2      LYS  52 -46.583  -5.546  -1.925
  452   1HE   LYS  52           HE1      LYS  52 -49.288  -4.537  -2.812
  453   2HE   LYS  52           HE2      LYS  52 -48.222  -5.373  -3.933
  454   1HZ   LYS  52           HZ1      LYS  52 -48.007  -2.726  -2.810
  455   2HZ   LYS  52           HZ2      LYS  52 -47.391  -3.347  -4.266
  456   3HZ   LYS  52           HZ3      LYS  52 -46.554  -3.605  -2.811
  457    H    ALA  53           HN       ALA  53 -43.964  -4.301   1.853
  458    HA   ALA  53           HA       ALA  53 -43.593  -6.519   3.553
  459   1HB   ALA  53           HB1      ALA  53 -41.702  -5.159   2.736
  460   2HB   ALA  53           HB2      ALA  53 -41.672  -5.150   4.496
  461   3HB   ALA  53           HB3      ALA  53 -42.289  -3.753   3.620
  462    H    HIS  54           HN       HIS  54 -42.893  -3.727   5.355
  463    HA   HIS  54           HA       HIS  54 -45.362  -3.954   6.968
  464   1HB   HIS  54           HB1      HIS  54 -44.119  -5.476   8.234
  465   2HB   HIS  54           HB2      HIS  54 -43.602  -3.980   9.001
  466    HD1  HIS  54           HD1      HIS  54 -42.252  -6.808   7.313
  467    HD2  HIS  54           HD2      HIS  54 -41.047  -2.930   7.793
  468    HE1  HIS  54           HE1      HIS  54 -39.849  -6.804   6.833
  469    H    SER  55           HN       SER  55 -45.700  -1.814   6.178
  470    HA   SER  55           HA       SER  55 -44.789   0.210   7.987
  471   1HB   SER  55           HB1      SER  55 -42.678   0.282   6.842
  472   2HB   SER  55           HB2      SER  55 -43.601   1.529   5.982
  473    HG   SER  55           HG1      SER  55 -44.189  -0.948   5.073
  474    H    LYS  56           HN       LYS  56 -47.161   0.235   7.854
  475    HA   LYS  56           HA       LYS  56 -48.425   1.186   5.414
  476   1HB   LYS  56           HB1      LYS  56 -50.429   1.433   6.933
  477   2HB   LYS  56           HB2      LYS  56 -49.399   1.065   8.312
  478   1HG   LYS  56           HG1      LYS  56 -48.779  -1.102   7.095
  479   2HG   LYS  56           HG2      LYS  56 -50.103  -0.748   5.990
  480   1HD   LYS  56           HD1      LYS  56 -51.688  -0.698   7.872
  481   2HD   LYS  56           HD2      LYS  56 -50.373  -0.979   9.007
  482   1HE   LYS  56           HE1      LYS  56 -49.874  -3.125   7.748
  483   2HE   LYS  56           HE2      LYS  56 -51.361  -2.863   6.845
  484   1HZ   LYS  56           HZ1      LYS  56 -50.985  -3.745   9.565
  485   2HZ   LYS  56           HZ2      LYS  56 -52.274  -4.025   8.495
  486   3HZ   LYS  56           HZ3      LYS  56 -52.199  -2.572   9.371
  487    H    LYS  57           HN       LYS  57 -49.529   2.860   8.140
  488    HA   LYS  57           HA       LYS  57 -49.138   5.401   6.941
  489   1HB   LYS  57           HB1      LYS  57 -49.791   6.262   9.248
  490   2HB   LYS  57           HB2      LYS  57 -49.668   4.613   9.843
  491   1HG   LYS  57           HG1      LYS  57 -51.989   4.943   9.333
  492   2HG   LYS  57           HG2      LYS  57 -51.344   3.950   8.035
  493   1HD   LYS  57           HD1      LYS  57 -50.992   6.740   7.354
  494   2HD   LYS  57           HD2      LYS  57 -52.667   6.454   7.799
  495   1HE   LYS  57           HE1      LYS  57 -51.095   4.795   5.800
  496   2HE   LYS  57           HE2      LYS  57 -52.257   6.045   5.376
  497   1HZ   LYS  57           HZ1      LYS  57 -53.419   4.253   7.211
  498   2HZ   LYS  57           HZ2      LYS  57 -52.763   3.379   5.912
  499   3HZ   LYS  57                 LYS  57 -53.895   4.611   5.620
   
  Start of MODEL          12
 Raw file had 499 H/Q atoms
  Start of MODEL   12
    1   1H    LYS   1           HT1      LYS   1  -7.568  -3.991 -10.376
    2   2H    LYS   1           HT2      LYS   1  -8.107  -3.962  -8.767
    3   3H    LYS   1           HT3      LYS   1  -8.181  -2.553  -9.712
    4    HA   LYS   1           HA       LYS   1  -9.797  -3.561 -11.172
    5   1HB   LYS   1           HB1      LYS   1 -10.042  -5.835 -11.159
    6   2HB   LYS   1           HB2      LYS   1 -10.573  -5.775  -9.482
    7   1HG   LYS   1           HG1      LYS   1  -8.214  -5.789  -8.732
    8   2HG   LYS   1           HG2      LYS   1  -7.681  -5.842 -10.408
    9   1HD   LYS   1           HD1      LYS   1  -8.786  -7.999 -10.735
   10   2HD   LYS   1           HD2      LYS   1  -9.461  -7.932  -9.111
   11   1HE   LYS   1           HE1      LYS   1  -7.200  -7.971  -8.145
   12   2HE   LYS   1           HE2      LYS   1  -6.493  -7.961  -9.755
   13   1HZ   LYS   1           HZ1      LYS   1  -8.315 -10.078  -8.764
   14   2HZ   LYS   1           HZ2      LYS   1  -6.620 -10.182  -8.712
   15   3HZ   LYS   1           HZ3      LYS   1  -7.421 -10.086 -10.207
   16    OH   TYR   2           OH       TYR   2  -7.839   2.495  -9.012
   17    H    TYR   2           HN       TYR   2 -11.369  -2.200 -10.684
   18    HA   TYR   2           HA       TYR   2 -12.170  -1.852  -7.857
   19   1HB   TYR   2           HB1      TYR   2 -13.470   0.077  -8.755
   20   2HB   TYR   2           HB2      TYR   2 -13.061  -0.408 -10.398
   21    HD1  TYR   2           HD2      TYR   2 -11.566   0.698  -7.172
   22    HD2  TYR   2           HD1      TYR   2 -10.971   0.217 -11.356
   23    HE1  TYR   2           HE2      TYR   2  -9.462   1.949  -7.018
   24    HE2  TYR   2           HE1      TYR   2  -8.868   1.466 -11.201
   25    HH   TYR   2           HH       TYR   2  -8.006   3.296  -8.511
   26    H    ILE   3           HN       ILE   3 -12.849  -4.327  -8.950
   27    HA   ILE   3           HA       ILE   3 -15.779  -4.114  -9.455
   28    HB   ILE   3           HB       ILE   3 -13.667  -6.251  -9.931
   29   1HG1  ILE   3          HG11      ILE   3 -15.812  -5.001 -11.688
   30   2HG1  ILE   3          HG12      ILE   3 -14.625  -6.189 -12.213
   31   1HG2  ILE   3          HG21      ILE   3 -15.404  -7.619  -9.052
   32   2HG2  ILE   3          HG22      ILE   3 -15.830  -7.571 -10.759
   33   3HG2  ILE   3          HG23      ILE   3 -16.670  -6.535  -9.614
   34   1HD1  ILE   3           HD1      ILE   3 -14.223  -3.308 -11.475
   35   2HD1  ILE   3           HD2      ILE   3 -13.551  -4.215 -12.824
   36   3HD1  ILE   3           HD3      ILE   3 -12.902  -4.440 -11.203
   37    H    CYS   4           HN       CYS   4 -16.799  -4.013  -7.485
   38    HA   CYS   4           HA       CYS   4 -15.871  -5.097  -5.079
   39   1HB   CYS   4           HB1      CYS   4 -18.659  -4.619  -6.122
   40   2HB   CYS   4           HB2      CYS   4 -17.777  -3.683  -4.951
   41    H    GLU   5           HN       GLU   5 -15.435  -7.070  -4.515
   42    HA   GLU   5           HA       GLU   5 -16.010  -9.358  -6.082
   43   1HB   GLU   5           HB1      GLU   5 -15.186 -10.622  -4.081
   44   2HB   GLU   5           HB2      GLU   5 -15.300  -9.151  -3.121
   45   1HG   GLU   5           HG1      GLU   5 -13.820  -8.624  -5.553
   46   2HG   GLU   5           HG2      GLU   5 -13.105  -9.989  -4.699
   47    H    GLU   6           HN       GLU   6 -17.971  -7.716  -3.789
   48    HA   GLU   6           HA       GLU   6 -19.615 -10.081  -3.287
   49   1HB   GLU   6           HB1      GLU   6 -20.282  -7.246  -2.447
   50   2HB   GLU   6           HB2      GLU   6 -19.057  -8.171  -1.590
   51   1HG   GLU   6           HG1      GLU   6 -21.805  -9.316  -2.106
   52   2HG   GLU   6           HG2      GLU   6 -21.486  -8.307  -0.698
   53    H    CYS   7           HN       CYS   7 -20.510  -6.774  -4.237
   54    HA   CYS   7           HA       CYS   7 -22.884  -7.761  -5.592
   55   1HB   CYS   7           HB1      CYS   7 -23.383  -5.482  -5.994
   56   2HB   CYS   7           HB2      CYS   7 -21.708  -5.017  -5.997
   57    H    GLY   8           HN       GLY   8 -19.845  -6.252  -6.646
   58   1HA   GLY   8           HA1      GLY   8 -20.296  -7.462  -9.341
   59   2HA   GLY   8           HA2      GLY   8 -18.718  -7.102  -8.663
   60    H    ILE   9           HN       ILE   9 -20.146  -4.502  -7.650
   61    HA   ILE   9           HA       ILE   9 -20.849  -2.962  -9.903
   62    HB   ILE   9           HB       ILE   9 -21.027  -2.412  -7.344
   63   1HG1  ILE   9          HG11      ILE   9 -20.525  -0.582  -9.642
   64   2HG1  ILE   9          HG12      ILE   9 -20.532   0.141  -8.038
   65   1HG2  ILE   9          HG21      ILE   9 -19.188  -1.166  -6.390
   66   2HG2  ILE   9          HG22      ILE   9 -18.384  -0.994  -7.941
   67   3HG2  ILE   9          HG23      ILE   9 -18.426  -2.556  -7.135
   68   1HD1  ILE   9           HD1      ILE   9 -22.745  -0.806  -7.581
   69   2HD1  ILE   9           HD2      ILE   9 -22.730  -1.649  -9.126
   70   3HD1  ILE   9           HD3      ILE   9 -22.806   0.109  -9.084
   71    NH1  ARG  10           NH2      ARG  10 -18.518  -2.414 -17.530
   72    NH2  ARG  10           NH1      ARG  10 -16.989  -4.067 -17.918
   73    H    ARG  10           HN       ARG  10 -19.708  -2.206 -11.554
   74    HA   ARG  10           HA       ARG  10 -16.742  -2.383 -11.403
   75   1HB   ARG  10           HB1      ARG  10 -18.591  -1.923 -13.794
   76   2HB   ARG  10           HB2      ARG  10 -17.983  -3.497 -13.296
   77   1HG   ARG  10           HG1      ARG  10 -15.635  -2.176 -13.436
   78   2HG   ARG  10           HG2      ARG  10 -16.544  -1.233 -14.610
   79   1HD   ARG  10           HD1      ARG  10 -15.973  -4.206 -14.651
   80   2HD   ARG  10           HD2      ARG  10 -15.563  -3.004 -15.874
   81    HE   ARG  10           HE       ARG  10 -18.375  -3.863 -15.306
   82   1HH1  ARG  10          HH21      ARG  10 -19.051  -1.877 -16.877
   83   2HH1  ARG  10          HH22      ARG  10 -18.609  -2.242 -18.511
   84   1HH2  ARG  10          HH11      ARG  10 -16.376  -4.769 -17.554
   85   2HH2  ARG  10          HH12      ARG  10 -17.054  -3.923 -18.905
   86    H    ABA  11           HN       ABU  11 -16.114  -0.507 -10.403
   87    HA   ABA  11           HA       ABU  11 -16.909   2.050 -11.765
   88   1HB   ABA  11           HB1      ABU  11 -16.462   3.162  -9.613
   89   2HB   ABA  11           HB2      ABU  11 -15.894   1.662  -8.913
   90   1HG   ABA  11           HG1      ABU  11 -18.023   1.306  -8.219
   91   2HG   ABA  11           HG2      ABU  11 -18.437   1.031  -9.907
   92   3HG   ABA  11           HG3      ABU  11 -18.628   2.633  -9.204
   93    H    LYS  12           HN       LYS  12 -15.274   2.202 -13.236
   94    HA   LYS  12           HA       LYS  12 -12.569   1.538 -12.828
   95   1HB   LYS  12           HB1      LYS  12 -12.143   2.906 -14.818
   96   2HB   LYS  12           HB2      LYS  12 -13.644   3.793 -14.578
   97   1HG   LYS  12           HG1      LYS  12 -14.971   1.843 -15.054
   98   2HG   LYS  12           HG2      LYS  12 -13.560   0.793 -14.997
   99   1HD   LYS  12           HD1      LYS  12 -12.716   1.607 -17.043
  100   2HD   LYS  12           HD2      LYS  12 -13.679   3.078 -16.960
  101   1HE   LYS  12           HE1      LYS  12 -14.429   1.122 -18.560
  102   2HE   LYS  12           HE2      LYS  12 -15.639   1.994 -17.627
  103   1HZ   LYS  12           HZ1      LYS  12 -15.333   0.226 -15.890
  104   2HZ   LYS  12           HZ2      LYS  12 -14.457  -0.654 -17.050
  105   3HZ   LYS  12           HZ3      LYS  12 -16.087  -0.269 -17.329
  106    H    LYS  13           HN       LYS  13 -14.196   3.764 -11.060
  107    HA   LYS  13           HA       LYS  13 -11.776   5.479 -10.752
  108   1HB   LYS  13           HB1      LYS  13 -13.501   7.149  -9.773
  109   2HB   LYS  13           HB2      LYS  13 -14.733   6.073 -10.422
  110   1HG   LYS  13           HG1      LYS  13 -13.836   6.334 -12.678
  111   2HG   LYS  13           HG2      LYS  13 -12.491   7.292 -12.067
  112   1HD   LYS  13           HD1      LYS  13 -13.838   9.144 -11.617
  113   2HD   LYS  13           HD2      LYS  13 -15.295   8.170 -11.445
  114   1HE   LYS  13           HE1      LYS  13 -13.924   8.220 -14.111
  115   2HE   LYS  13           HE2      LYS  13 -14.877   9.621 -13.638
  116   1HZ   LYS  13           HZ1      LYS  13 -15.845   7.372 -14.777
  117   2HZ   LYS  13           HZ2      LYS  13 -16.766   8.519 -13.928
  118   3HZ   LYS  13           HZ3      LYS  13 -16.202   7.128 -13.134
  119    HA   PRO  14           HA       PRO  14 -11.499   3.845  -6.602
  120   1HB   PRO  14           HB1      PRO  14  -9.480   4.800  -6.024
  121   2HB   PRO  14           HB2      PRO  14 -10.359   6.213  -5.442
  122   1HG   PRO  14           HG1      PRO  14  -8.625   6.125  -7.693
  123   2HG   PRO  14           HG2      PRO  14  -9.708   7.451  -7.266
  124   1HD   PRO  14           HD1      PRO  14 -10.911   6.970  -9.158
  125   2HD   PRO  14           HD2      PRO  14  -9.964   5.493  -9.421
  126    H    SER  15           HN       SER  15 -11.951   7.362  -6.235
  127    HA   SER  15           HA       SER  15 -13.450   7.540  -3.979
  128   1HB   SER  15           HB1      SER  15 -12.936   9.450  -5.613
  129   2HB   SER  15           HB2      SER  15 -14.597   9.509  -4.988
  130    HG   SER  15           HG1      SER  15 -14.146   7.877  -7.185
  131    H    MET  16           HN       MET  16 -14.758   6.500  -7.109
  132    HA   MET  16           HA       MET  16 -17.460   6.239  -6.137
  133   1HB   MET  16           HB1      MET  16 -17.585   4.645  -8.218
  134   2HB   MET  16           HB2      MET  16 -15.923   5.146  -8.521
  135   1HG   MET  16           HG1      MET  16 -16.907   6.834  -9.662
  136   2HG   MET  16           HG2      MET  16 -17.030   7.551  -8.077
  137   1HE   MET  16           HE1      MET  16 -20.213   5.275 -10.312
  138   2HE   MET  16           HE2      MET  16 -18.456   5.194 -10.437
  139   3HE   MET  16           HE3      MET  16 -19.341   6.480 -11.259
  140    H    LEU  17           HN       LEU  17 -14.920   3.801  -6.798
  141    HA   LEU  17           HA       LEU  17 -16.436   1.654  -5.642
  142   1HB   LEU  17           HB1      LEU  17 -13.397   1.778  -5.728
  143   2HB   LEU  17           HB2      LEU  17 -14.312   1.597  -7.207
  144    HG   LEU  17           HG       LEU  17 -13.521  -0.596  -6.239
  145   1HD1  LEU  17          HD11      LEU  17 -14.398  -1.457  -4.209
  146   2HD1  LEU  17          HD12      LEU  17 -15.591  -0.176  -4.075
  147   3HD1  LEU  17          HD13      LEU  17 -13.886   0.182  -3.834
  148   1HD2  LEU  17          HD21      LEU  17 -16.538  -0.593  -6.105
  149   2HD2  LEU  17          HD22      LEU  17 -15.457  -1.788  -6.805
  150   3HD2  LEU  17          HD23      LEU  17 -15.718  -0.254  -7.619
  151    H    LYS  18           HN       LYS  18 -13.575   3.379  -4.465
  152    HA   LYS  18           HA       LYS  18 -13.188   2.490  -1.956
  153   1HB   LYS  18           HB1      LYS  18 -13.429   5.386  -2.883
  154   2HB   LYS  18           HB2      LYS  18 -11.959   4.431  -2.742
  155   1HG   LYS  18           HG1      LYS  18 -12.842   4.259  -0.190
  156   2HG   LYS  18           HG2      LYS  18 -13.534   5.816  -0.627
  157   1HD   LYS  18           HD1      LYS  18 -11.303   6.596  -1.372
  158   2HD   LYS  18           HD2      LYS  18 -10.611   5.038  -0.938
  159   1HE   LYS  18           HE1      LYS  18 -12.180   6.465   1.165
  160   2HE   LYS  18           HE2      LYS  18 -10.596   7.116   0.763
  161   1HZ   LYS  18           HZ1      LYS  18 -11.253   4.407   1.750
  162   2HZ   LYS  18           HZ2      LYS  18 -10.253   5.577   2.472
  163   3HZ   LYS  18           HZ3      LYS  18  -9.749   4.785   1.057
  164    H    LYS  19           HN       LYS  19 -15.790   4.797  -2.752
  165    HA   LYS  19           HA       LYS  19 -16.837   4.765  -0.077
  166   1HB   LYS  19           HB1      LYS  19 -18.917   5.452  -1.908
  167   2HB   LYS  19           HB2      LYS  19 -17.431   6.053  -2.627
  168   1HG   LYS  19           HG1      LYS  19 -18.215   6.592   0.257
  169   2HG   LYS  19           HG2      LYS  19 -18.587   7.687  -1.067
  170   1HD   LYS  19           HD1      LYS  19 -16.387   8.321  -1.355
  171   2HD   LYS  19           HD2      LYS  19 -15.758   6.758  -0.846
  172   1HE   LYS  19           HE1      LYS  19 -15.289   8.529   0.835
  173   2HE   LYS  19           HE2      LYS  19 -16.321   7.266   1.493
  174   1HZ   LYS  19           HZ1      LYS  19 -17.422   9.739   0.303
  175   2HZ   LYS  19           HZ2      LYS  19 -16.997   9.634   1.945
  176   3HZ   LYS  19           HZ3      LYS  19 -18.203   8.617   1.314
  177    H    HIS  20           HN       HIS  20 -17.638   3.087  -3.071
  178    HA   HIS  20           HA       HIS  20 -20.006   1.801  -2.223
  179   1HB   HIS  20           HB1      HIS  20 -17.802   0.772  -4.055
  180   2HB   HIS  20           HB2      HIS  20 -19.197   1.711  -4.577
  181    HD1  HIS  20           HD1      HIS  20 -21.120   0.239  -5.188
  182    HD2  HIS  20           HD2      HIS  20 -18.499  -1.764  -2.805
  183    HE1  HIS  20           HE1      HIS  20 -22.000  -2.040  -5.025
  184    H    ILE  21           HN       ILE  21 -16.645   0.624  -2.102
  185    HA   ILE  21           HA       ILE  21 -17.294  -1.817  -0.797
  186    HB   ILE  21           HB       ILE  21 -15.005  -0.872  -1.866
  187   1HG1  ILE  21          HG11      ILE  21 -15.367  -2.896   0.354
  188   2HG1  ILE  21          HG12      ILE  21 -13.807  -2.653  -0.420
  189   1HG2  ILE  21          HG21      ILE  21 -14.839   0.746   0.181
  190   2HG2  ILE  21          HG22      ILE  21 -13.401  -0.168  -0.214
  191   3HG2  ILE  21          HG23      ILE  21 -14.425  -0.673   1.125
  192   1HD1  ILE  21           HD1      ILE  21 -15.833  -4.323  -1.347
  193   2HD1  ILE  21           HD2      ILE  21 -14.456  -3.765  -2.289
  194   3HD1  ILE  21           HD3      ILE  21 -15.986  -2.902  -2.373
  195    NH1  ARG  22           NH1      ARG  22 -12.905   5.836   4.401
  196    NH2  ARG  22           NH2      ARG  22 -14.662   6.283   5.791
  197    H    ARG  22           HN       ARG  22 -16.827   1.417   0.460
  198    HA   ARG  22           HA       ARG  22 -16.603   0.562   3.233
  199   1HB   ARG  22           HB1      ARG  22 -17.319   3.077   3.568
  200   2HB   ARG  22           HB2      ARG  22 -17.187   3.191   1.817
  201   1HG   ARG  22           HG1      ARG  22 -14.857   2.446   1.904
  202   2HG   ARG  22           HG2      ARG  22 -14.974   2.184   3.640
  203   1HD   ARG  22           HD1      ARG  22 -15.793   4.887   2.786
  204   2HD   ARG  22           HD2      ARG  22 -14.097   4.520   2.477
  205    HE   ARG  22           HE       ARG  22 -14.902   3.743   5.157
  206   1HH1  ARG  22          HH11      ARG  22 -12.480   5.236   3.723
  207   2HH1  ARG  22          HH12      ARG  22 -12.437   6.670   4.693
  208   1HH2  ARG  22          HH21      ARG  22 -15.555   6.016   6.155
  209   2HH2  ARG  22          HH22      ARG  22 -14.224   7.123   6.107
  210    H    THR  23           HN       THR  23 -19.260   0.964   1.061
  211    HA   THR  23           HA       THR  23 -21.232   1.449   3.125
  212    HB   THR  23           HB       THR  23 -21.659   0.205   0.336
  213    HG1  THR  23           HG1      THR  23 -22.079   2.524  -0.044
  214   1HG2  THR  23          HG21      THR  23 -23.857   0.230   1.218
  215   2HG2  THR  23          HG22      THR  23 -23.746   1.949   0.867
  216   3HG2  THR  23          HG23      THR  23 -23.434   1.359   2.497
  217    H    HIS  24           HN       HIS  24 -19.530  -1.358   2.120
  218    HA   HIS  24           HA       HIS  24 -21.608  -3.245   3.001
  219   1HB   HIS  24           HB1      HIS  24 -19.546  -4.869   2.849
  220   2HB   HIS  24           HB2      HIS  24 -18.689  -3.493   2.165
  221    HD1  HIS  24           HD1      HIS  24 -21.960  -5.225   1.442
  222    HD2  HIS  24           HD2      HIS  24 -18.900  -3.399  -0.531
  223    HE1  HIS  24           HE1      HIS  24 -22.473  -5.472  -0.966
  224    H    THR  25           HN       THR  25 -19.973  -1.114   4.715
  225    HA   THR  25           HA       THR  25 -18.993  -2.928   6.828
  226    HB   THR  25           HB       THR  25 -18.398  -0.642   7.898
  227    HG1  THR  25           HG1      THR  25 -19.965  -0.020   5.720
  228   1HG2  THR  25          HG21      THR  25 -16.741   0.023   6.137
  229   2HG2  THR  25          HG22      THR  25 -17.600  -0.961   4.956
  230   3HG2  THR  25          HG23      THR  25 -16.750  -1.732   6.292
  231    H    ASP  26           HN       ASP  26 -20.291   0.010   7.839
  232    HA   ASP  26           HA       ASP  26 -22.953  -0.968   8.470
  233   1HB   ASP  26           HB1      ASP  26 -22.454  -0.586  11.017
  234   2HB   ASP  26           HB2      ASP  26 -20.756  -0.746  10.573
  235    H    VAL  27           HN       VAL  27 -21.574   1.183   7.147
  236    HA   VAL  27           HA       VAL  27 -22.219   3.518   8.860
  237    HB   VAL  27           HB       VAL  27 -20.054   3.493   7.667
  238   1HG1  VAL  27          HG11      VAL  27 -19.949   3.451   5.222
  239   2HG1  VAL  27          HG12      VAL  27 -21.703   3.361   5.123
  240   3HG1  VAL  27          HG13      VAL  27 -20.792   2.022   5.797
  241   1HG2  VAL  27          HG21      VAL  27 -21.919   5.573   7.612
  242   2HG2  VAL  27          HG22      VAL  27 -21.313   5.505   5.960
  243   3HG2  VAL  27          HG23      VAL  27 -20.193   5.726   7.301
  244    NH1  ARG  28           NH2      ARG  28 -26.045  -2.539   6.863
  245    NH2  ARG  28           NH1      ARG  28 -24.305  -2.876   5.421
  246    H    ARG  28           HN       ARG  28 -24.441   2.108   8.098
  247    HA   ARG  28           HA       ARG  28 -25.701   3.826   6.005
  248   1HB   ARG  28           HB1      ARG  28 -27.380   1.881   5.933
  249   2HB   ARG  28           HB2      ARG  28 -26.249   0.990   6.944
  250   1HG   ARG  28           HG1      ARG  28 -24.509   1.701   5.091
  251   2HG   ARG  28           HG2      ARG  28 -25.946   1.893   4.097
  252   1HD   ARG  28           HD1      ARG  28 -25.063  -0.393   3.863
  253   2HD   ARG  28           HD2      ARG  28 -26.629  -0.433   4.670
  254    HE   ARG  28           HE       ARG  28 -24.473  -0.272   6.592
  255   1HH1  ARG  28          HH21      ARG  28 -26.644  -1.902   7.347
  256   2HH1  ARG  28          HH22      ARG  28 -26.161  -3.525   6.983
  257   1HH2  ARG  28          HH11      ARG  28 -23.601  -2.492   4.824
  258   2HH2  ARG  28          HH12      ARG  28 -24.392  -3.867   5.517
  259    HA   PRO  29           HA       PRO  29 -27.693   4.907  10.055
  260   1HB   PRO  29           HB1      PRO  29 -27.109   7.118  10.273
  261   2HB   PRO  29           HB2      PRO  29 -28.244   7.545   8.993
  262   1HG   PRO  29           HG1      PRO  29 -25.347   7.476   8.851
  263   2HG   PRO  29           HG2      PRO  29 -26.480   7.955   7.587
  264   1HD   PRO  29           HD1      PRO  29 -26.140   5.992   6.487
  265   2HD   PRO  29           HD2      PRO  29 -24.917   5.559   7.692
  266    OH   TYR  30           OH       TYR  30 -28.699  10.840   4.723
  267    H    TYR  30           HN       TYR  30 -28.695   5.358   6.733
  268    HA   TYR  30           HA       TYR  30 -31.475   5.912   7.396
  269   1HB   TYR  30           HB1      TYR  30 -31.834   5.579   4.948
  270   2HB   TYR  30           HB2      TYR  30 -30.222   4.896   4.794
  271    HD1  TYR  30           HD1      TYR  30 -31.842   7.956   6.234
  272    HD2  TYR  30           HD2      TYR  30 -28.538   6.362   4.080
  273    HE1  TYR  30           HE1      TYR  30 -30.928  10.214   5.964
  274    HE2  TYR  30           HE2      TYR  30 -27.622   8.621   3.815
  275    HH   TYR  30           HH       TYR  30 -29.324  11.460   5.107
  276    H    HIS  31           HN       HIS  31 -32.429   4.356   8.603
  277    HA   HIS  31           HA       HIS  31 -32.350   1.541   7.567
  278   1HB   HIS  31           HB1      HIS  31 -32.966   0.896   9.905
  279   2HB   HIS  31           HB2      HIS  31 -33.012   2.596  10.363
  280    HD1  HIS  31           HD1      HIS  31 -30.556   0.114   9.150
  281    HD2  HIS  31           HD2      HIS  31 -30.589   3.674  11.090
  282    HE1  HIS  31           HE1      HIS  31 -28.249   0.486   9.806
  283    H    CYS  32           HN       CYS  32 -34.245   0.542   7.020
  284    HA   CYS  32           HA       CYS  32 -36.559   2.098   6.503
  285   1HB   CYS  32           HB1      CYS  32 -36.012  -0.858   6.790
  286   2HB   CYS  32           HB2      CYS  32 -36.450   0.032   5.357
  287    H    THR  33           HN       THR  33 -38.579   2.203   7.560
  288    HA   THR  33           HA       THR  33 -38.336   2.161  10.481
  289    HB   THR  33           HB       THR  33 -40.619   2.950   8.575
  290    HG1  THR  33           HG1      THR  33 -38.384   4.047   9.647
  291   1HG2  THR  33          HG21      THR  33 -41.867   2.660  10.572
  292   2HG2  THR  33          HG22      THR  33 -41.136   4.218  10.946
  293   3HG2  THR  33          HG23      THR  33 -40.428   2.739  11.585
  294    OH   TYR  34           OH       TYR  34 -44.607   2.425   8.496
  295    H    TYR  34           HN       TYR  34 -38.475  -0.331   8.722
  296    HA   TYR  34           HA       TYR  34 -40.313  -1.785  10.513
  297   1HB   TYR  34           HB1      TYR  34 -41.505  -2.864   8.639
  298   2HB   TYR  34           HB2      TYR  34 -40.502  -2.014   7.468
  299    HD1  TYR  34           HD2      TYR  34 -40.779   0.432   7.137
  300    HD2  TYR  34           HD1      TYR  34 -43.311  -1.713   9.797
  301    HE1  TYR  34           HE2      TYR  34 -42.355   2.309   7.150
  302    HE2  TYR  34           HE1      TYR  34 -44.885   0.169   9.809
  303    HH   TYR  34           HH       TYR  34 -45.364   2.173   9.029
  304    H    CYS  35           HN       CYS  35 -38.738  -2.569   7.426
  305    HA   CYS  35           HA       CYS  35 -37.811  -5.120   8.228
  306   1HB   CYS  35           HB1      CYS  35 -36.312  -4.976   6.307
  307   2HB   CYS  35           HB2      CYS  35 -36.381  -3.238   6.316
  308    H    ASN  36           HN       ASN  36 -35.086  -5.082   7.602
  309    HA   ASN  36           HA       ASN  36 -33.899  -3.577   9.894
  310   1HB   ASN  36           HB1      ASN  36 -33.357  -6.458   9.006
  311   2HB   ASN  36           HB2      ASN  36 -34.147  -5.974  10.505
  312   1HD2  ASN  36          HD21      ASN  36 -32.514  -3.886  11.384
  313   2HD2  ASN  36          HD22      ASN  36 -30.945  -4.464  11.679
  314    H    PHE  37           HN       PHE  37 -34.010  -3.757   6.702
  315    HA   PHE  37           HA       PHE  37 -31.158  -3.849   6.070
  316   1HB   PHE  37           HB1      PHE  37 -33.263  -2.654   4.250
  317   2HB   PHE  37           HB2      PHE  37 -33.285  -4.389   4.556
  318    HD1  PHE  37           HD2      PHE  37 -31.113  -5.705   4.128
  319    HD2  PHE  37           HD1      PHE  37 -31.712  -1.732   2.713
  320    HE1  PHE  37           HE2      PHE  37 -29.300  -6.009   2.500
  321    HE2  PHE  37           HE1      PHE  37 -29.897  -2.043   1.087
  322    HZ   PHE  37           HZ       PHE  37 -28.692  -4.180   0.978
  323    H    SER  38           HN       SER  38 -29.967  -2.056   5.200
  324    HA   SER  38           HA       SER  38 -31.070   0.617   5.858
  325   1HB   SER  38           HB1      SER  38 -28.242  -0.149   6.657
  326   2HB   SER  38           HB2      SER  38 -29.597  -0.438   7.753
  327    HG   SER  38           HG1      SER  38 -29.388   2.022   6.425
  328    H    PHE  39           HN       PHE  39 -30.047   2.346   4.800
  329    HA   PHE  39           HA       PHE  39 -28.322   1.536   2.489
  330   1HB   PHE  39           HB1      PHE  39 -29.606   2.993   1.092
  331   2HB   PHE  39           HB2      PHE  39 -30.283   3.851   2.474
  332    HD1  PHE  39           HD2      PHE  39 -31.866   2.584   4.021
  333    HD2  PHE  39           HD1      PHE  39 -30.713   1.054   0.221
  334    HE1  PHE  39           HE2      PHE  39 -33.814   1.091   4.032
  335    HE2  PHE  39           HE1      PHE  39 -32.658  -0.446   0.240
  336    HZ   PHE  39           HZ       PHE  39 -34.214  -0.423   2.142
  337    H    LYS  40           HN       LYS  40 -26.851   3.133   1.733
  338    HA   LYS  40           HA       LYS  40 -25.772   4.788   3.895
  339   1HB   LYS  40           HB1      LYS  40 -24.926   4.196   1.023
  340   2HB   LYS  40           HB2      LYS  40 -24.209   3.557   2.485
  341   1HG   LYS  40           HG1      LYS  40 -24.107   6.466   1.595
  342   2HG   LYS  40           HG2      LYS  40 -22.779   5.323   1.547
  343   1HD   LYS  40           HD1      LYS  40 -23.123   5.027   4.065
  344   2HD   LYS  40           HD2      LYS  40 -24.144   6.456   3.994
  345   1HE   LYS  40           HE1      LYS  40 -21.948   7.251   4.526
  346   2HE   LYS  40           HE2      LYS  40 -22.196   7.628   2.827
  347   1HZ   LYS  40           HZ1      LYS  40 -20.949   5.079   3.591
  348   2HZ   LYS  40           HZ2      LYS  40 -20.022   6.502   3.575
  349   3HZ   LYS  40           HZ3      LYS  40 -20.785   5.970   2.154
  350    H    THR  41           HN       THR  41 -27.890   5.185   1.270
  351    HA   THR  41           HA       THR  41 -27.593   8.159   1.461
  352    HB   THR  41           HB       THR  41 -28.106   8.300  -0.892
  353    HG1  THR  41           HG1      THR  41 -29.827   7.062  -1.161
  354   1HG2  THR  41          HG21      THR  41 -25.934   6.814  -0.290
  355   2HG2  THR  41          HG22      THR  41 -26.527   6.815  -1.947
  356   3HG2  THR  41          HG23      THR  41 -26.932   5.483  -0.868
  357    H    LYS  42           HN       LYS  42 -29.501   9.394   1.237
  358    HA   LYS  42           HA       LYS  42 -31.743   8.185   2.620
  359   1HB   LYS  42           HB1      LYS  42 -31.311  10.974   1.454
  360   2HB   LYS  42           HB2      LYS  42 -31.067  10.509   3.135
  361   1HG   LYS  42           HG1      LYS  42 -33.570   9.725   3.006
  362   2HG   LYS  42           HG2      LYS  42 -33.647  10.794   1.610
  363   1HD   LYS  42           HD1      LYS  42 -32.451  12.499   3.255
  364   2HD   LYS  42           HD2      LYS  42 -33.167  11.474   4.493
  365   1HE   LYS  42           HE1      LYS  42 -34.925  12.945   4.158
  366   2HE   LYS  42           HE2      LYS  42 -35.329  11.735   2.947
  367   1HZ   LYS  42           HZ1      LYS  42 -34.833  14.421   2.542
  368   2HZ   LYS  42           HZ2      LYS  42 -35.076  13.226   1.360
  369   3HZ   LYS  42           HZ3      LYS  42 -33.503  13.601   1.877
  370    H    GLY  43           HN       GLY  43 -30.820   8.761  -0.613
  371   1HA   GLY  43           HA1      GLY  43 -31.961   8.438  -2.641
  372   2HA   GLY  43           HA2      GLY  43 -33.398   9.050  -1.826
  373    H    ASN  44           HN       ASN  44 -31.339   6.151  -1.648
  374    HA   ASN  44           HA       ASN  44 -33.168   4.284  -2.583
  375   1HB   ASN  44           HB1      ASN  44 -31.941   2.707  -0.882
  376   2HB   ASN  44           HB2      ASN  44 -31.003   4.132  -0.453
  377   1HD2  ASN  44          HD21      ASN  44 -29.245   4.615  -1.775
  378   2HD2  ASN  44          HD22      ASN  44 -28.958   3.916  -3.296
  379    H    LEU  45           HN       LEU  45 -32.930   5.681   0.640
  380    HA   LEU  45           HA       LEU  45 -34.742   3.997   1.997
  381   1HB   LEU  45           HB1      LEU  45 -34.647   7.019   2.364
  382   2HB   LEU  45           HB2      LEU  45 -33.275   6.027   2.825
  383    HG   LEU  45           HG       LEU  45 -34.779   6.472   4.753
  384   1HD1  LEU  45          HD11      LEU  45 -36.891   4.767   3.412
  385   2HD1  LEU  45          HD12      LEU  45 -36.870   6.516   3.230
  386   3HD1  LEU  45          HD13      LEU  45 -37.042   5.798   4.827
  387   1HD2  LEU  45          HD21      LEU  45 -34.527   4.362   5.644
  388   2HD2  LEU  45          HD22      LEU  45 -33.547   4.160   4.203
  389   3HD2  LEU  45          HD23      LEU  45 -35.190   3.550   4.234
  390    H    THR  46           HN       THR  46 -35.452   7.151   0.497
  391    HA   THR  46           HA       THR  46 -38.253   7.025   0.738
  392    HB   THR  46           HB       THR  46 -36.714   8.221  -1.642
  393    HG1  THR  46           HG1      THR  46 -36.715   8.670   1.055
  394   1HG2  THR  46          HG21      THR  46 -39.210   8.442  -1.785
  395   2HG2  THR  46          HG22      THR  46 -38.521  10.000  -1.339
  396   3HG2  THR  46          HG23      THR  46 -39.270   8.984  -0.110
  397    H    LYS  47           HN       LYS  47 -36.112   5.554  -1.614
  398    HA   LYS  47           HA       LYS  47 -38.184   4.777  -3.464
  399   1HB   LYS  47           HB1      LYS  47 -35.636   3.186  -3.058
  400   2HB   LYS  47           HB2      LYS  47 -35.539   4.821  -3.704
  401   1HG   LYS  47           HG1      LYS  47 -37.143   4.198  -5.494
  402   2HG   LYS  47           HG2      LYS  47 -37.206   2.559  -4.857
  403   1HD   LYS  47           HD1      LYS  47 -35.546   2.257  -6.436
  404   2HD   LYS  47           HD2      LYS  47 -34.540   2.785  -5.093
  405   1HE   LYS  47           HE1      LYS  47 -33.931   4.095  -7.042
  406   2HE   LYS  47           HE2      LYS  47 -34.787   5.150  -5.925
  407   1HZ   LYS  47           HZ1      LYS  47 -35.760   5.592  -7.955
  408   2HZ   LYS  47           HZ2      LYS  47 -36.845   4.485  -7.259
  409   3HZ   LYS  47           HZ3      LYS  47 -35.747   3.965  -8.446
  410    H    HIS  48           HN       HIS  48 -36.494   2.997  -0.881
  411    HA   HIS  48           HA       HIS  48 -37.939   0.563  -1.233
  412   1HB   HIS  48           HB1      HIS  48 -36.586   1.798   1.217
  413   2HB   HIS  48           HB2      HIS  48 -35.909   0.591   0.129
  414    HD1  HIS  48           HD1      HIS  48 -37.550  -1.650   0.117
  415    HD2  HIS  48           HD2      HIS  48 -37.687   0.677   3.477
  416    HE1  HIS  48           HE1      HIS  48 -38.493  -3.084   1.859
  417    H    MET  49           HN       MET  49 -38.866   3.577   0.106
  418    HA   MET  49           HA       MET  49 -41.158   2.344   1.549
  419   1HB   MET  49           HB1      MET  49 -41.521   4.862   2.176
  420   2HB   MET  49           HB2      MET  49 -39.932   5.131   1.469
  421   1HG   MET  49           HG1      MET  49 -38.956   3.478   2.987
  422   2HG   MET  49           HG2      MET  49 -40.526   3.128   3.656
  423   1HE   MET  49           HE1      MET  49 -39.003   4.505   6.770
  424   2HE   MET  49           HE2      MET  49 -38.164   3.535   5.560
  425   3HE   MET  49           HE3      MET  49 -39.853   3.201   5.942
  426    H    LYS  50           HN       LYS  50 -40.376   4.141  -1.309
  427    HA   LYS  50           HA       LYS  50 -43.003   5.181  -1.843
  428   1HB   LYS  50           HB1      LYS  50 -40.916   4.355  -3.910
  429   2HB   LYS  50           HB2      LYS  50 -40.783   5.839  -2.975
  430   1HG   LYS  50           HG1      LYS  50 -42.916   6.638  -3.852
  431   2HG   LYS  50           HG2      LYS  50 -43.183   5.112  -4.686
  432   1HD   LYS  50           HD1      LYS  50 -41.506   5.536  -6.271
  433   2HD   LYS  50           HD2      LYS  50 -40.677   6.687  -5.231
  434   1HE   LYS  50           HE1      LYS  50 -42.463   8.318  -5.528
  435   2HE   LYS  50           HE2      LYS  50 -43.426   7.155  -6.429
  436   1HZ   LYS  50           HZ1      LYS  50 -41.047   8.638  -7.259
  437   2HZ   LYS  50           HZ2      LYS  50 -42.470   8.296  -8.122
  438   3HZ   LYS  50           HZ3      LYS  50 -41.293   7.090  -7.913
  439    H    SER  51           HN       SER  51 -41.326   2.276  -3.042
  440    HA   SER  51           HA       SER  51 -43.352   1.260  -4.686
  441   1HB   SER  51           HB1      SER  51 -41.565  -0.359  -2.788
  442   2HB   SER  51           HB2      SER  51 -41.078   0.203  -4.399
  443    HG   SER  51           HG1      SER  51 -42.841  -0.928  -5.263
  444    H    LYS  52           HN       LYS  52 -44.447  -0.986  -3.974
  445    HA   LYS  52           HA       LYS  52 -46.490  -0.185  -2.069
  446   1HB   LYS  52           HB1      LYS  52 -47.374  -2.517  -2.537
  447   2HB   LYS  52           HB2      LYS  52 -45.927  -2.835  -3.487
  448   1HG   LYS  52           HG1      LYS  52 -46.502  -1.193  -5.112
  449   2HG   LYS  52           HG2      LYS  52 -47.703  -0.456  -4.059
  450   1HD   LYS  52           HD1      LYS  52 -48.768  -1.854  -5.815
  451   2HD   LYS  52           HD2      LYS  52 -49.099  -2.480  -4.204
  452   1HE   LYS  52           HE1      LYS  52 -47.711  -4.318  -4.483
  453   2HE   LYS  52           HE2      LYS  52 -46.661  -3.484  -5.621
  454   1HZ   LYS  52           HZ1      LYS  52 -49.262  -3.694  -6.690
  455   2HZ   LYS  52           HZ2      LYS  52 -48.724  -5.229  -6.199
  456   3HZ   LYS  52           HZ3      LYS  52 -47.803  -4.317  -7.296
  457    H    ALA  53           HN       ALA  53 -43.680  -0.552  -1.115
  458    HA   ALA  53           HA       ALA  53 -43.461  -2.906   0.466
  459   1HB   ALA  53           HB1      ALA  53 -41.558  -1.355   0.081
  460   2HB   ALA  53           HB2      ALA  53 -41.832  -1.527   1.812
  461   3HB   ALA  53           HB3      ALA  53 -42.390  -0.084   0.972
  462    H    HIS  54           HN       HIS  54 -43.102  -0.579   2.745
  463    HA   HIS  54           HA       HIS  54 -45.906  -0.663   3.684
  464   1HB   HIS  54           HB1      HIS  54 -45.225  -2.549   4.878
  465   2HB   HIS  54           HB2      HIS  54 -44.705  -1.310   6.013
  466    HD1  HIS  54           HD1      HIS  54 -43.396  -4.142   4.505
  467    HD2  HIS  54           HD2      HIS  54 -41.807  -0.435   5.188
  468    HE1  HIS  54           HE1      HIS  54 -40.965  -4.447   4.432
  469    H    SER  55           HN       SER  55 -45.775   1.617   3.298
  470    HA   SER  55           HA       SER  55 -44.907   3.062   5.669
  471   1HB   SER  55           HB1      SER  55 -43.591   3.917   3.050
  472   2HB   SER  55           HB2      SER  55 -42.794   2.777   4.151
  473    HG   SER  55           HG1      SER  55 -43.747   4.601   5.703
  474    H    LYS  56           HN       LYS  56 -47.190   2.604   3.643
  475    HA   LYS  56           HA       LYS  56 -47.729   5.436   2.914
  476   1HB   LYS  56           HB1      LYS  56 -49.373   4.559   1.409
  477   2HB   LYS  56           HB2      LYS  56 -49.504   3.046   2.296
  478   1HG   LYS  56           HG1      LYS  56 -47.305   2.345   1.577
  479   2HG   LYS  56           HG2      LYS  56 -46.966   3.922   0.879
  480   1HD   LYS  56           HD1      LYS  56 -49.209   2.084  -0.046
  481   2HD   LYS  56           HD2      LYS  56 -47.637   2.184  -0.826
  482   1HE   LYS  56           HE1      LYS  56 -48.375   4.846  -0.691
  483   2HE   LYS  56           HE2      LYS  56 -49.920   4.050  -0.958
  484   1HZ   LYS  56           HZ1      LYS  56 -48.130   4.673  -2.874
  485   2HZ   LYS  56           HZ2      LYS  56 -49.370   3.523  -3.030
  486   3HZ   LYS  56           HZ3      LYS  56 -47.802   3.028  -2.605
  487    H    LYS  57           HN       LYS  57 -47.992   3.891   5.629
  488    HA   LYS  57           HA       LYS  57 -50.686   3.815   6.400
  489   1HB   LYS  57           HB1      LYS  57 -48.435   4.842   8.175
  490   2HB   LYS  57           HB2      LYS  57 -48.575   3.142   7.742
  491   1HG   LYS  57           HG1      LYS  57 -50.606   2.883   8.901
  492   2HG   LYS  57           HG2      LYS  57 -50.949   4.610   8.878
  493   1HD   LYS  57           HD1      LYS  57 -48.479   3.672  10.294
  494   2HD   LYS  57           HD2      LYS  57 -50.033   3.435  11.084
  495   1HE   LYS  57           HE1      LYS  57 -49.433   6.114   9.876
  496   2HE   LYS  57           HE2      LYS  57 -48.686   5.700  11.414
  497   1HZ   LYS  57           HZ1      LYS  57 -51.586   5.729  10.804
  498   2HZ   LYS  57           HZ2      LYS  57 -50.745   6.802  11.817
  499   3HZ   LYS  57                 LYS  57 -50.919   5.172  12.263
   
  Start of MODEL          13
 Raw file had 499 H/Q atoms
  Start of MODEL   13
    1   1H    LYS   1           HT1      LYS   1  -7.265  -3.302 -10.716
    2   2H    LYS   1           HT2      LYS   1  -7.810  -3.163  -9.113
    3   3H    LYS   1           HT3      LYS   1  -7.875  -1.820 -10.152
    4    HA   LYS   1           HA       LYS   1  -9.543  -2.793 -11.488
    5   1HB   LYS   1           HB1      LYS   1  -8.625  -5.158 -11.239
    6   2HB   LYS   1           HB2      LYS   1 -10.372  -5.064 -11.049
    7   1HG   LYS   1           HG1      LYS   1 -10.246  -5.283  -8.694
    8   2HG   LYS   1           HG2      LYS   1  -8.541  -4.851  -8.657
    9   1HD   LYS   1           HD1      LYS   1  -7.998  -6.955  -9.868
   10   2HD   LYS   1           HD2      LYS   1  -9.703  -7.391  -9.848
   11   1HE   LYS   1           HE1      LYS   1  -9.114  -8.461  -7.905
   12   2HE   LYS   1           HE2      LYS   1  -9.333  -6.858  -7.213
   13   1HZ   LYS   1           HZ1      LYS   1  -6.838  -6.644  -8.002
   14   2HZ   LYS   1           HZ2      LYS   1  -6.881  -8.325  -7.766
   15   3HZ   LYS   1           HZ3      LYS   1  -7.260  -7.278  -6.483
   16    OH   TYR   2           OH       TYR   2  -7.935   2.817  -8.948
   17    H    TYR   2           HN       TYR   2 -11.496  -2.037 -10.980
   18    HA   TYR   2           HA       TYR   2 -12.148  -1.732  -8.070
   19   1HB   TYR   2           HB1      TYR   2 -13.490   0.228  -8.789
   20   2HB   TYR   2           HB2      TYR   2 -13.106  -0.105 -10.475
   21    HD1  TYR   2           HD2      TYR   2 -11.565   0.758  -7.196
   22    HD2  TYR   2           HD1      TYR   2 -11.062   0.670 -11.418
   23    HE1  TYR   2           HE2      TYR   2  -9.494   2.052  -6.976
   24    HE2  TYR   2           HE1      TYR   2  -8.989   1.961 -11.198
   25    HH   TYR   2           HH       TYR   2  -8.165   3.749  -8.921
   26    H    ILE   3           HN       ILE   3 -12.860  -4.093  -8.678
   27    HA   ILE   3           HA       ILE   3 -15.755  -3.964  -9.440
   28    HB   ILE   3           HB       ILE   3 -13.890  -6.362  -9.725
   29   1HG1  ILE   3          HG11      ILE   3 -13.086  -4.537 -11.164
   30   2HG1  ILE   3          HG12      ILE   3 -14.706  -4.310 -11.814
   31   1HG2  ILE   3          HG21      ILE   3 -16.441  -6.657  -9.627
   32   2HG2  ILE   3          HG22      ILE   3 -15.706  -7.242 -11.114
   33   3HG2  ILE   3          HG23      ILE   3 -16.542  -5.693 -11.095
   34   1HD1  ILE   3           HD1      ILE   3 -13.449  -7.039 -11.939
   35   2HD1  ILE   3           HD2      ILE   3 -12.969  -5.821 -13.116
   36   3HD1  ILE   3           HD3      ILE   3 -14.653  -6.324 -13.005
   37    H    CYS   4           HN       CYS   4 -16.752  -3.960  -7.445
   38    HA   CYS   4           HA       CYS   4 -15.811  -5.120  -5.092
   39   1HB   CYS   4           HB1      CYS   4 -18.645  -4.852  -6.117
   40   2HB   CYS   4           HB2      CYS   4 -17.824  -3.794  -5.006
   41    H    GLU   5           HN       GLU   5 -15.215  -7.085  -4.670
   42    HA   GLU   5           HA       GLU   5 -15.706  -9.321  -6.336
   43   1HB   GLU   5           HB1      GLU   5 -14.960 -10.590  -4.153
   44   2HB   GLU   5           HB2      GLU   5 -14.726  -8.977  -3.489
   45   1HG   GLU   5           HG1      GLU   5 -13.249  -8.430  -5.433
   46   2HG   GLU   5           HG2      GLU   5 -13.429 -10.087  -6.003
   47    H    GLU   6           HN       GLU   6 -17.704  -7.879  -3.957
   48    HA   GLU   6           HA       GLU   6 -19.220 -10.346  -3.522
   49   1HB   GLU   6           HB1      GLU   6 -20.002  -7.593  -2.527
   50   2HB   GLU   6           HB2      GLU   6 -18.709  -8.491  -1.744
   51   1HG   GLU   6           HG1      GLU   6 -21.388  -9.783  -2.258
   52   2HG   GLU   6           HG2      GLU   6 -21.130  -8.786  -0.829
   53    H    CYS   7           HN       CYS   7 -20.281  -7.035  -4.295
   54    HA   CYS   7           HA       CYS   7 -22.643  -8.063  -5.649
   55   1HB   CYS   7           HB1      CYS   7 -23.228  -5.783  -5.975
   56   2HB   CYS   7           HB2      CYS   7 -21.571  -5.258  -5.958
   57    H    GLY   8           HN       GLY   8 -19.686  -6.402  -6.692
   58   1HA   GLY   8           HA1      GLY   8 -20.141  -7.520  -9.427
   59   2HA   GLY   8           HA2      GLY   8 -18.560  -7.131  -8.758
   60    H    ILE   9           HN       ILE   9 -20.138  -4.655  -7.616
   61    HA   ILE   9           HA       ILE   9 -20.923  -3.024  -9.762
   62    HB   ILE   9           HB       ILE   9 -21.066  -2.594  -7.192
   63   1HG1  ILE   9          HG11      ILE   9 -20.517  -0.594  -9.354
   64   2HG1  ILE   9          HG12      ILE   9 -20.638  -0.015  -7.696
   65   1HG2  ILE   9          HG21      ILE   9 -18.439  -1.128  -7.717
   66   2HG2  ILE   9          HG22      ILE   9 -18.453  -2.752  -7.045
   67   3HG2  ILE   9          HG23      ILE   9 -19.215  -1.438  -6.175
   68   1HD1  ILE   9           HD1      ILE   9 -22.817  -0.216  -9.179
   69   2HD1  ILE   9           HD2      ILE   9 -22.868  -0.682  -7.482
   70   3HD1  ILE   9           HD3      ILE   9 -22.723  -1.916  -8.730
   71    NH1  ARG  10           NH1      ARG  10 -18.706  -3.747 -17.138
   72    NH2  ARG  10           NH2      ARG  10 -17.814  -2.058 -18.392
   73    H    ARG  10           HN       ARG  10 -19.854  -2.105 -11.384
   74    HA   ARG  10           HA       ARG  10 -16.873  -2.176 -11.296
   75   1HB   ARG  10           HB1      ARG  10 -18.624  -1.637 -13.729
   76   2HB   ARG  10           HB2      ARG  10 -18.279  -3.276 -13.190
   77   1HG   ARG  10           HG1      ARG  10 -15.813  -2.700 -13.301
   78   2HG   ARG  10           HG2      ARG  10 -16.267  -1.177 -14.057
   79   1HD   ARG  10           HD1      ARG  10 -17.110  -3.890 -15.127
   80   2HD   ARG  10           HD2      ARG  10 -15.689  -3.018 -15.698
   81    HE   ARG  10           HE       ARG  10 -17.729  -1.162 -15.943
   82   1HH1  ARG  10          HH11      ARG  10 -18.846  -4.165 -16.241
   83   2HH1  ARG  10          HH12      ARG  10 -19.089  -4.176 -17.956
   84   1HH2  ARG  10          HH21      ARG  10 -17.285  -1.210 -18.434
   85   2HH2  ARG  10          HH22      ARG  10 -18.183  -2.459 -19.230
   86    H    ABA  11           HN       ABU  11 -16.306  -0.305 -10.292
   87    HA   ABA  11           HA       ABU  11 -17.229   2.241 -11.584
   88   1HB   ABA  11           HB1      ABU  11 -16.900   3.325  -9.411
   89   2HB   ABA  11           HB2      ABU  11 -16.199   1.868  -8.736
   90   1HG   ABA  11           HG1      ABU  11 -19.070   2.264  -9.624
   91   2HG   ABA  11           HG2      ABU  11 -18.498   1.990  -7.981
   92   3HG   ABA  11           HG3      ABU  11 -18.401   0.701  -9.175
   93    H    LYS  12           HN       LYS  12 -15.543   2.269 -13.078
   94    HA   LYS  12           HA       LYS  12 -12.842   1.785 -12.686
   95   1HB   LYS  12           HB1      LYS  12 -12.474   3.479 -14.512
   96   2HB   LYS  12           HB2      LYS  12 -14.132   4.031 -14.304
   97   1HG   LYS  12           HG1      LYS  12 -14.756   1.514 -14.661
   98   2HG   LYS  12           HG2      LYS  12 -13.145   1.385 -15.357
   99   1HD   LYS  12           HD1      LYS  12 -13.737   3.357 -16.843
  100   2HD   LYS  12           HD2      LYS  12 -15.390   3.212 -16.258
  101   1HE   LYS  12           HE1      LYS  12 -15.387   1.920 -18.239
  102   2HE   LYS  12           HE2      LYS  12 -15.211   0.723 -16.962
  103   1HZ   LYS  12           HZ1      LYS  12 -12.919   0.542 -17.369
  104   2HZ   LYS  12           HZ2      LYS  12 -12.897   1.920 -18.363
  105   3HZ   LYS  12           HZ3      LYS  12 -13.661   0.502 -18.896
  106    H    LYS  13           HN       LYS  13 -14.677   4.138 -11.098
  107    HA   LYS  13           HA       LYS  13 -12.313   5.841 -10.589
  108   1HB   LYS  13           HB1      LYS  13 -14.176   7.210  -9.321
  109   2HB   LYS  13           HB2      LYS  13 -15.291   6.133 -10.150
  110   1HG   LYS  13           HG1      LYS  13 -15.046   8.057 -11.571
  111   2HG   LYS  13           HG2      LYS  13 -14.129   6.761 -12.327
  112   1HD   LYS  13           HD1      LYS  13 -12.227   7.972 -12.190
  113   2HD   LYS  13           HD2      LYS  13 -12.430   8.172 -10.456
  114   1HE   LYS  13           HE1      LYS  13 -13.759   9.862 -12.596
  115   2HE   LYS  13           HE2      LYS  13 -12.410  10.363 -11.585
  116   1HZ   LYS  13           HZ1      LYS  13 -14.015   9.725  -9.675
  117   2HZ   LYS  13           HZ2      LYS  13 -15.218   9.939 -10.854
  118   3HZ   LYS  13           HZ3      LYS  13 -14.180  11.223 -10.457
  119    HA   PRO  14           HA       PRO  14 -11.775   3.668  -6.673
  120   1HB   PRO  14           HB1      PRO  14  -9.648   4.389  -6.160
  121   2HB   PRO  14           HB2      PRO  14 -10.335   5.852  -5.453
  122   1HG   PRO  14           HG1      PRO  14  -8.800   5.666  -7.864
  123   2HG   PRO  14           HG2      PRO  14  -9.617   7.099  -7.239
  124   1HD   PRO  14           HD1      PRO  14 -11.096   6.960  -8.970
  125   2HD   PRO  14           HD2      PRO  14 -10.358   5.438  -9.507
  126    H    SER  15           HN       SER  15 -12.103   7.210  -6.233
  127    HA   SER  15           HA       SER  15 -13.320   7.308  -3.770
  128   1HB   SER  15           HB1      SER  15 -12.924   9.336  -5.203
  129   2HB   SER  15           HB2      SER  15 -14.611   9.317  -4.648
  130    HG   SER  15           HG1      SER  15 -13.845   7.971  -7.000
  131    H    MET  16           HN       MET  16 -14.882   6.406  -6.805
  132    HA   MET  16           HA       MET  16 -17.516   6.162  -5.633
  133   1HB   MET  16           HB1      MET  16 -17.846   4.702  -7.788
  134   2HB   MET  16           HB2      MET  16 -16.201   5.184  -8.194
  135   1HG   MET  16           HG1      MET  16 -17.595   6.788  -9.234
  136   2HG   MET  16           HG2      MET  16 -16.925   7.576  -7.831
  137   1HE   MET  16           HE1      MET  16 -20.700   8.640  -9.025
  138   2HE   MET  16           HE2      MET  16 -19.677   7.574  -9.987
  139   3HE   MET  16           HE3      MET  16 -18.999   9.036  -9.272
  140    H    LEU  17           HN       LEU  17 -15.092   3.717  -6.643
  141    HA   LEU  17           HA       LEU  17 -16.551   1.521  -5.529
  142   1HB   LEU  17           HB1      LEU  17 -13.525   1.626  -5.731
  143   2HB   LEU  17           HB2      LEU  17 -14.496   1.559  -7.181
  144    HG   LEU  17           HG       LEU  17 -13.740  -0.708  -6.434
  145   1HD1  LEU  17          HD11      LEU  17 -15.608  -0.411  -4.074
  146   2HD1  LEU  17          HD12      LEU  17 -13.890  -0.059  -3.952
  147   3HD1  LEU  17          HD13      LEU  17 -14.432  -1.675  -4.385
  148   1HD2  LEU  17          HD21      LEU  17 -16.101  -0.122  -7.526
  149   2HD2  LEU  17          HD22      LEU  17 -16.712  -0.745  -6.003
  150   3HD2  LEU  17          HD23      LEU  17 -15.712  -1.762  -7.031
  151    H    LYS  18           HN       LYS  18 -13.624   3.159  -4.389
  152    HA   LYS  18           HA       LYS  18 -13.183   2.101  -1.941
  153   1HB   LYS  18           HB1      LYS  18 -12.673   4.504  -1.148
  154   2HB   LYS  18           HB2      LYS  18 -13.328   5.058  -2.684
  155   1HG   LYS  18           HG1      LYS  18 -11.643   3.860  -3.926
  156   2HG   LYS  18           HG2      LYS  18 -11.098   3.016  -2.483
  157   1HD   LYS  18           HD1      LYS  18 -10.491   5.267  -1.499
  158   2HD   LYS  18           HD2      LYS  18 -10.848   5.980  -3.068
  159   1HE   LYS  18           HE1      LYS  18  -8.600   5.571  -3.384
  160   2HE   LYS  18           HE2      LYS  18  -9.221   4.004  -3.886
  161   1HZ   LYS  18           HZ1      LYS  18  -8.070   3.080  -2.268
  162   2HZ   LYS  18           HZ2      LYS  18  -8.954   3.959  -1.115
  163   3HZ   LYS  18           HZ3      LYS  18  -7.514   4.598  -1.748
  164    H    LYS  19           HN       LYS  19 -15.727   4.491  -2.607
  165    HA   LYS  19           HA       LYS  19 -16.703   4.462   0.093
  166   1HB   LYS  19           HB1      LYS  19 -18.801   5.464  -1.123
  167   2HB   LYS  19           HB2      LYS  19 -17.813   5.395  -2.578
  168   1HG   LYS  19           HG1      LYS  19 -16.039   6.700  -1.335
  169   2HG   LYS  19           HG2      LYS  19 -17.190   6.903  -0.019
  170   1HD   LYS  19           HD1      LYS  19 -18.667   7.621  -2.258
  171   2HD   LYS  19           HD2      LYS  19 -17.069   8.270  -2.612
  172   1HE   LYS  19           HE1      LYS  19 -18.210   9.978  -1.378
  173   2HE   LYS  19           HE2      LYS  19 -17.083   9.241  -0.248
  174   1HZ   LYS  19           HZ1      LYS  19 -19.270   9.534   0.725
  175   2HZ   LYS  19           HZ2      LYS  19 -18.869   7.887   0.620
  176   3HZ   LYS  19           HZ3      LYS  19 -19.961   8.568  -0.488
  177    H    HIS  20           HN       HIS  20 -17.624   2.827  -2.895
  178    HA   HIS  20           HA       HIS  20 -19.976   1.556  -1.969
  179   1HB   HIS  20           HB1      HIS  20 -17.871   0.581  -3.941
  180   2HB   HIS  20           HB2      HIS  20 -19.302   1.514  -4.358
  181    HD1  HIS  20           HD1      HIS  20 -21.218   0.020  -4.948
  182    HD2  HIS  20           HD2      HIS  20 -18.479  -1.996  -2.722
  183    HE1  HIS  20           HE1      HIS  20 -22.036  -2.289  -4.840
  184    H    ILE  21           HN       ILE  21 -16.624   0.318  -2.042
  185    HA   ILE  21           HA       ILE  21 -17.232  -2.141  -0.771
  186    HB   ILE  21           HB       ILE  21 -14.951  -1.152  -1.846
  187   1HG1  ILE  21          HG11      ILE  21 -15.128  -3.204   0.393
  188   2HG1  ILE  21          HG12      ILE  21 -13.716  -2.996  -0.634
  189   1HG2  ILE  21          HG21      ILE  21 -13.325  -0.519  -0.177
  190   2HG2  ILE  21          HG22      ILE  21 -14.358  -1.032   1.150
  191   3HG2  ILE  21          HG23      ILE  21 -14.753   0.404   0.229
  192   1HD1  ILE  21           HD1      ILE  21 -15.920  -3.168  -2.406
  193   2HD1  ILE  21           HD2      ILE  21 -16.179  -4.420  -1.197
  194   3HD1  ILE  21           HD3      ILE  21 -14.686  -4.390  -2.128
  195    NH1  ARG  22           NH2      ARG  22 -12.340   4.635   4.777
  196    NH2  ARG  22           NH1      ARG  22 -11.591   5.242   2.705
  197    H    ARG  22           HN       ARG  22 -16.683   1.061   0.558
  198    HA   ARG  22           HA       ARG  22 -16.572   0.080   3.312
  199   1HB   ARG  22           HB1      ARG  22 -17.029   2.649   3.721
  200   2HB   ARG  22           HB2      ARG  22 -16.807   2.804   1.982
  201   1HG   ARG  22           HG1      ARG  22 -14.609   1.539   2.273
  202   2HG   ARG  22           HG2      ARG  22 -14.819   1.741   4.007
  203   1HD   ARG  22           HD1      ARG  22 -14.814   4.165   3.783
  204   2HD   ARG  22           HD2      ARG  22 -14.811   4.042   2.025
  205    HE   ARG  22           HE       ARG  22 -12.534   2.727   2.556
  206   1HH1  ARG  22          HH21      ARG  22 -12.893   4.024   5.342
  207   2HH1  ARG  22          HH22      ARG  22 -11.816   5.373   5.203
  208   1HH2  ARG  22          HH11      ARG  22 -11.583   5.085   1.718
  209   2HH2  ARG  22          HH12      ARG  22 -11.056   5.990   3.097
  210    H    THR  23           HN       THR  23 -19.057   0.594   1.061
  211    HA   THR  23           HA       THR  23 -21.074   1.346   3.010
  212    HB   THR  23           HB       THR  23 -21.640   0.001   0.299
  213    HG1  THR  23           HG1      THR  23 -21.315   2.107  -0.531
  214   1HG2  THR  23          HG21      THR  23 -23.771   0.720   1.039
  215   2HG2  THR  23          HG22      THR  23 -23.194   2.296   0.517
  216   3HG2  THR  23          HG23      THR  23 -23.097   1.839   2.212
  217    H    HIS  24           HN       HIS  24 -19.551  -1.584   2.099
  218    HA   HIS  24           HA       HIS  24 -21.763  -3.343   2.841
  219   1HB   HIS  24           HB1      HIS  24 -19.704  -5.016   3.016
  220   2HB   HIS  24           HB2      HIS  24 -18.791  -3.692   2.304
  221    HD1  HIS  24           HD1      HIS  24 -21.723  -5.857   1.465
  222    HD2  HIS  24           HD2      HIS  24 -19.129  -3.335  -0.408
  223    HE1  HIS  24           HE1      HIS  24 -22.132  -6.152  -0.955
  224    H    THR  25           HN       THR  25 -20.096  -1.231   4.622
  225    HA   THR  25           HA       THR  25 -19.627  -3.001   6.944
  226    HB   THR  25           HB       THR  25 -18.701  -0.822   7.912
  227    HG1  THR  25           HG1      THR  25 -18.671   0.756   6.006
  228   1HG2  THR  25          HG21      THR  25 -17.263  -2.236   6.265
  229   2HG2  THR  25          HG22      THR  25 -16.847  -0.526   6.332
  230   3HG2  THR  25          HG23      THR  25 -17.825  -1.143   5.005
  231    H    ASP  26           HN       ASP  26 -20.401   0.087   7.828
  232    HA   ASP  26           HA       ASP  26 -23.281  -0.350   8.133
  233   1HB   ASP  26           HB1      ASP  26 -23.071   0.044  10.660
  234   2HB   ASP  26           HB2      ASP  26 -21.332  -0.175  10.485
  235    H    VAL  27           HN       VAL  27 -21.429   1.429   6.832
  236    HA   VAL  27           HA       VAL  27 -21.696   3.967   8.318
  237    HB   VAL  27           HB       VAL  27 -19.598   3.492   7.106
  238   1HG1  VAL  27          HG11      VAL  27 -21.314   3.386   4.609
  239   2HG1  VAL  27          HG12      VAL  27 -20.596   1.992   5.394
  240   3HG1  VAL  27          HG13      VAL  27 -19.565   3.215   4.672
  241   1HG2  VAL  27          HG21      VAL  27 -21.097   5.840   6.862
  242   2HG2  VAL  27          HG22      VAL  27 -20.551   5.511   5.220
  243   3HG2  VAL  27          HG23      VAL  27 -19.377   5.670   6.523
  244    NH1  ARG  28           NH2      ARG  28 -25.892  -2.039   5.316
  245    NH2  ARG  28           NH1      ARG  28 -25.714  -1.351   7.488
  246    H    ARG  28           HN       ARG  28 -24.142   2.941   7.743
  247    HA   ARG  28           HA       ARG  28 -25.166   4.640   5.516
  248   1HB   ARG  28           HB1      ARG  28 -27.181   3.025   5.755
  249   2HB   ARG  28           HB2      ARG  28 -26.111   2.036   6.739
  250   1HG   ARG  28           HG1      ARG  28 -24.464   2.358   4.688
  251   2HG   ARG  28           HG2      ARG  28 -25.957   2.663   3.813
  252   1HD   ARG  28           HD1      ARG  28 -25.401   0.266   3.718
  253   2HD   ARG  28           HD2      ARG  28 -26.871   0.506   4.662
  254    HE   ARG  28           HE       ARG  28 -24.416   0.469   6.265
  255   1HH1  ARG  28          HH21      ARG  28 -25.788  -1.836   4.342
  256   2HH1  ARG  28          HH22      ARG  28 -26.225  -2.935   5.607
  257   1HH2  ARG  28          HH11      ARG  28 -25.476  -0.632   8.141
  258   2HH2  ARG  28          HH12      ARG  28 -26.045  -2.236   7.815
  259    HA   PRO  29           HA       PRO  29 -26.685   6.519   9.478
  260   1HB   PRO  29           HB1      PRO  29 -25.898   8.672   9.325
  261   2HB   PRO  29           HB2      PRO  29 -26.991   9.008   7.981
  262   1HG   PRO  29           HG1      PRO  29 -24.118   8.467   7.888
  263   2HG   PRO  29           HG2      PRO  29 -25.176   8.989   6.576
  264   1HD   PRO  29           HD1      PRO  29 -25.258   6.878   5.730
  265   2HD   PRO  29           HD2      PRO  29 -24.042   6.395   6.925
  266    OH   TYR  30           OH       TYR  30 -27.964  12.207   3.534
  267    H    TYR  30           HN       TYR  30 -27.920   6.941   6.182
  268    HA   TYR  30           HA       TYR  30 -30.549   7.797   6.981
  269   1HB   TYR  30           HB1      TYR  30 -31.165   7.089   4.623
  270   2HB   TYR  30           HB2      TYR  30 -29.571   6.362   4.461
  271    HD1  TYR  30           HD1      TYR  30 -31.230   9.608   5.285
  272    HD2  TYR  30           HD2      TYR  30 -27.758   7.690   3.750
  273    HE1  TYR  30           HE1      TYR  30 -30.290  11.791   4.683
  274    HE2  TYR  30           HE2      TYR  30 -26.820   9.872   3.146
  275    HH   TYR  30           HH       TYR  30 -28.223  12.838   4.209
  276    H    HIS  31           HN       HIS  31 -31.840   6.613   8.240
  277    HA   HIS  31           HA       HIS  31 -32.074   3.672   7.674
  278   1HB   HIS  31           HB1      HIS  31 -32.594   3.420  10.113
  279   2HB   HIS  31           HB2      HIS  31 -32.366   5.151  10.334
  280    HD1  HIS  31           HD1      HIS  31 -30.339   2.300   9.086
  281    HD2  HIS  31           HD2      HIS  31 -29.812   5.841  10.989
  282    HE1  HIS  31           HE1      HIS  31 -27.970   2.378   9.611
  283    H    CYS  32           HN       CYS  32 -34.111   2.882   7.336
  284    HA   CYS  32           HA       CYS  32 -36.260   4.718   6.879
  285   1HB   CYS  32           HB1      CYS  32 -36.101   1.708   7.245
  286   2HB   CYS  32           HB2      CYS  32 -36.400   2.600   5.775
  287    H    THR  33           HN       THR  33 -38.187   5.052   8.066
  288    HA   THR  33           HA       THR  33 -37.742   5.062  10.960
  289    HB   THR  33           HB       THR  33 -40.320   5.824   9.473
  290    HG1  THR  33           HG1      THR  33 -37.984   7.345  10.039
  291   1HG2  THR  33          HG21      THR  33 -39.129   7.458  11.678
  292   2HG2  THR  33          HG22      THR  33 -39.688   5.870  12.193
  293   3HG2  THR  33          HG23      THR  33 -40.813   6.999  11.442
  294    OH   TYR  34           OH       TYR  34 -44.503   5.572   9.540
  295    H    TYR  34           HN       TYR  34 -38.378   2.597   9.146
  296    HA   TYR  34           HA       TYR  34 -40.142   1.327  11.165
  297   1HB   TYR  34           HB1      TYR  34 -41.476   0.246   9.347
  298   2HB   TYR  34           HB2      TYR  34 -40.540   1.114   8.138
  299    HD1  TYR  34           HD2      TYR  34 -40.707   3.627   8.022
  300    HD2  TYR  34           HD1      TYR  34 -43.264   1.332  10.530
  301    HE1  TYR  34           HE2      TYR  34 -42.255   5.522   8.181
  302    HE2  TYR  34           HE1      TYR  34 -44.810   3.229  10.686
  303    HH   TYR  34           HH       TYR  34 -44.486   5.888  10.446
  304    H    CYS  35           HN       CYS  35 -38.745   0.429   8.024
  305    HA   CYS  35           HA       CYS  35 -37.974  -2.191   8.882
  306   1HB   CYS  35           HB1      CYS  35 -36.739  -2.291   6.798
  307   2HB   CYS  35           HB2      CYS  35 -36.631  -0.559   6.704
  308    H    ASN  36           HN       ASN  36 -35.713  -2.966   8.853
  309    HA   ASN  36           HA       ASN  36 -34.060  -1.159  10.533
  310   1HB   ASN  36           HB1      ASN  36 -33.464  -4.075   9.879
  311   2HB   ASN  36           HB2      ASN  36 -34.659  -3.661  11.104
  312   1HD2  ASN  36          HD21      ASN  36 -33.731  -3.735  13.137
  313   2HD2  ASN  36          HD22      ASN  36 -32.156  -3.230  13.519
  314    H    PHE  37           HN       PHE  37 -34.482  -1.443   7.445
  315    HA   PHE  37           HA       PHE  37 -31.772  -1.994   6.500
  316   1HB   PHE  37           HB1      PHE  37 -33.906  -0.568   4.891
  317   2HB   PHE  37           HB2      PHE  37 -34.098  -2.279   5.261
  318    HD1  PHE  37           HD2      PHE  37 -32.062  -3.823   4.697
  319    HD2  PHE  37           HD1      PHE  37 -32.568   0.079   3.068
  320    HE1  PHE  37           HE2      PHE  37 -30.518  -4.380   2.869
  321    HE2  PHE  37           HE1      PHE  37 -31.026  -0.486   1.242
  322    HZ   PHE  37           HZ       PHE  37 -30.000  -2.714   1.143
  323    H    SER  38           HN       SER  38 -30.378  -0.480   5.534
  324    HA   SER  38           HA       SER  38 -30.995   2.369   6.081
  325   1HB   SER  38           HB1      SER  38 -28.266   1.197   6.701
  326   2HB   SER  38           HB2      SER  38 -29.545   1.193   7.918
  327    HG   SER  38           HG1      SER  38 -28.963   3.491   6.399
  328    H    PHE  39           HN       PHE  39 -29.938   3.843   4.775
  329    HA   PHE  39           HA       PHE  39 -28.556   2.653   2.408
  330   1HB   PHE  39           HB1      PHE  39 -29.705   4.230   1.050
  331   2HB   PHE  39           HB2      PHE  39 -30.013   5.307   2.410
  332    HD1  PHE  39           HD2      PHE  39 -31.609   4.479   4.256
  333    HD2  PHE  39           HD1      PHE  39 -31.315   2.574   0.459
  334    HE1  PHE  39           HE2      PHE  39 -33.775   3.386   4.632
  335    HE2  PHE  39           HE1      PHE  39 -33.492   1.503   0.830
  336    HZ   PHE  39           HZ       PHE  39 -34.720   1.903   2.919
  337    H    LYS  40           HN       LYS  40 -26.971   3.985   1.379
  338    HA   LYS  40           HA       LYS  40 -25.360   5.467   3.345
  339   1HB   LYS  40           HB1      LYS  40 -24.911   4.559   0.468
  340   2HB   LYS  40           HB2      LYS  40 -24.249   3.828   1.911
  341   1HG   LYS  40           HG1      LYS  40 -23.562   6.591   0.845
  342   2HG   LYS  40           HG2      LYS  40 -22.526   5.177   0.806
  343   1HD   LYS  40           HD1      LYS  40 -22.809   5.110   3.364
  344   2HD   LYS  40           HD2      LYS  40 -23.421   6.752   3.218
  345   1HE   LYS  40           HE1      LYS  40 -21.136   7.140   3.522
  346   2HE   LYS  40           HE2      LYS  40 -21.255   7.125   1.766
  347   1HZ   LYS  40           HZ1      LYS  40 -19.423   5.768   2.579
  348   2HZ   LYS  40           HZ2      LYS  40 -20.572   4.831   1.750
  349   3HZ   LYS  40           HZ3      LYS  40 -20.514   4.797   3.447
  350    H    THR  41           HN       THR  41 -27.568   6.143   0.831
  351    HA   THR  41           HA       THR  41 -26.753   9.016   0.946
  352    HB   THR  41           HB       THR  41 -26.967   9.210  -1.452
  353    HG1  THR  41           HG1      THR  41 -28.961   8.084  -1.466
  354   1HG2  THR  41          HG21      THR  41 -25.043   7.565  -0.688
  355   2HG2  THR  41          HG22      THR  41 -25.570   7.410  -2.361
  356   3HG2  THR  41          HG23      THR  41 -26.142   6.267  -1.149
  357    H    LYS  42           HN       LYS  42 -28.402  10.518   0.520
  358    HA   LYS  42           HA       LYS  42 -30.910   9.783   1.704
  359   1HB   LYS  42           HB1      LYS  42 -30.079  12.313   0.207
  360   2HB   LYS  42           HB2      LYS  42 -29.898  12.059   1.938
  361   1HG   LYS  42           HG1      LYS  42 -32.393  11.722   2.081
  362   2HG   LYS  42           HG2      LYS  42 -32.502  12.174   0.384
  363   1HD   LYS  42           HD1      LYS  42 -30.901  14.153   1.650
  364   2HD   LYS  42           HD2      LYS  42 -32.301  13.896   2.685
  365   1HE   LYS  42           HE1      LYS  42 -32.388  14.460  -0.298
  366   2HE   LYS  42           HE2      LYS  42 -32.777  15.614   0.972
  367   1HZ   LYS  42           HZ1      LYS  42 -34.575  14.176   1.686
  368   2HZ   LYS  42           HZ2      LYS  42 -34.198  13.060   0.463
  369   3HZ   LYS  42           HZ3      LYS  42 -34.761  14.609   0.054
  370    H    GLY  43           HN       GLY  43 -29.678   9.817  -1.489
  371   1HA   GLY  43           HA1      GLY  43 -30.700   9.352  -3.554
  372   2HA   GLY  43           HA2      GLY  43 -32.099  10.241  -2.954
  373    H    ASN  44           HN       ASN  44 -30.459   7.141  -2.330
  374    HA   ASN  44           HA       ASN  44 -32.581   5.490  -3.118
  375   1HB   ASN  44           HB1      ASN  44 -31.494   3.814  -1.498
  376   2HB   ASN  44           HB2      ASN  44 -30.410   5.112  -1.008
  377   1HD2  ASN  44          HD21      ASN  44 -29.533   6.332  -3.192
  378   2HD2  ASN  44          HD22      ASN  44 -28.896   5.264  -4.346
  379    H    LEU  45           HN       LEU  45 -31.966   7.047  -0.018
  380    HA   LEU  45           HA       LEU  45 -33.934   5.700   1.507
  381   1HB   LEU  45           HB1      LEU  45 -32.926   8.594   1.631
  382   2HB   LEU  45           HB2      LEU  45 -32.277   7.235   2.523
  383    HG   LEU  45           HG       LEU  45 -33.631   8.387   4.104
  384   1HD1  LEU  45          HD11      LEU  45 -35.478   9.634   3.632
  385   2HD1  LEU  45          HD12      LEU  45 -36.209   8.375   2.650
  386   3HD1  LEU  45          HD13      LEU  45 -35.004   9.444   1.953
  387   1HD2  LEU  45          HD21      LEU  45 -35.524   6.254   3.070
  388   2HD2  LEU  45          HD22      LEU  45 -35.269   6.767   4.732
  389   3HD2  LEU  45          HD23      LEU  45 -34.014   5.871   3.886
  390    H    THR  46           HN       THR  46 -34.166   8.699  -0.382
  391    HA   THR  46           HA       THR  46 -36.914   9.206   0.106
  392    HB   THR  46           HB       THR  46 -35.387   9.776  -2.506
  393    HG1  THR  46           HG1      THR  46 -34.659  10.323  -0.125
  394   1HG2  THR  46          HG21      THR  46 -36.891  11.666  -2.678
  395   2HG2  THR  46          HG22      THR  46 -37.368  11.539  -0.988
  396   3HG2  THR  46          HG23      THR  46 -37.958  10.365  -2.160
  397    H    LYS  47           HN       LYS  47 -35.320   7.084  -2.199
  398    HA   LYS  47           HA       LYS  47 -37.655   6.531  -3.776
  399   1HB   LYS  47           HB1      LYS  47 -35.208   4.776  -3.229
  400   2HB   LYS  47           HB2      LYS  47 -35.317   5.988  -4.497
  401   1HG   LYS  47           HG1      LYS  47 -36.080   4.284  -5.806
  402   2HG   LYS  47           HG2      LYS  47 -37.600   4.512  -4.953
  403   1HD   LYS  47           HD1      LYS  47 -37.224   2.225  -4.635
  404   2HD   LYS  47           HD2      LYS  47 -36.523   2.892  -3.167
  405   1HE   LYS  47           HE1      LYS  47 -34.919   1.334  -4.095
  406   2HE   LYS  47           HE2      LYS  47 -34.293   2.953  -4.374
  407   1HZ   LYS  47           HZ1      LYS  47 -35.414   1.040  -6.285
  408   2HZ   LYS  47           HZ2      LYS  47 -34.045   2.036  -6.424
  409   3HZ   LYS  47           HZ3      LYS  47 -35.598   2.700  -6.597
  410    H    HIS  48           HN       HIS  48 -36.231   4.910  -0.952
  411    HA   HIS  48           HA       HIS  48 -38.056   2.723  -0.884
  412   1HB   HIS  48           HB1      HIS  48 -36.659   4.181   1.420
  413   2HB   HIS  48           HB2      HIS  48 -36.005   2.811   0.527
  414    HD1  HIS  48           HD1      HIS  48 -38.187   0.870   0.552
  415    HD2  HIS  48           HD2      HIS  48 -37.556   3.219   3.836
  416    HE1  HIS  48           HE1      HIS  48 -39.228  -0.325   2.417
  417    H    MET  49           HN       MET  49 -38.287   6.014   0.309
  418    HA   MET  49           HA       MET  49 -40.782   5.519   1.740
  419   1HB   MET  49           HB1      MET  49 -40.790   8.153   1.645
  420   2HB   MET  49           HB2      MET  49 -39.181   7.982   0.952
  421   1HG   MET  49           HG1      MET  49 -39.034   8.254   3.371
  422   2HG   MET  49           HG2      MET  49 -38.462   6.679   2.889
  423   1HE   MET  49           HE1      MET  49 -39.890   8.363   5.660
  424   2HE   MET  49           HE2      MET  49 -38.617   7.142   5.666
  425   3HE   MET  49           HE3      MET  49 -40.108   6.867   6.567
  426    H    LYS  50           HN       LYS  50 -39.830   6.745  -1.414
  427    HA   LYS  50           HA       LYS  50 -42.165   7.905  -2.351
  428   1HB   LYS  50           HB1      LYS  50 -40.675   5.823  -3.998
  429   2HB   LYS  50           HB2      LYS  50 -39.920   7.360  -3.592
  430   1HG   LYS  50           HG1      LYS  50 -42.695   7.422  -4.721
  431   2HG   LYS  50           HG2      LYS  50 -41.372   7.063  -5.824
  432   1HD   LYS  50           HD1      LYS  50 -41.054   9.373  -3.937
  433   2HD   LYS  50           HD2      LYS  50 -42.100   9.580  -5.337
  434   1HE   LYS  50           HE1      LYS  50 -40.273   8.887  -6.833
  435   2HE   LYS  50           HE2      LYS  50 -39.224   8.610  -5.448
  436   1HZ   LYS  50           HZ1      LYS  50 -40.109  11.122  -6.638
  437   2HZ   LYS  50           HZ2      LYS  50 -38.599  10.698  -5.984
  438   3HZ   LYS  50           HZ3      LYS  50 -39.891  11.090  -4.954
  439    H    SER  51           HN       SER  51 -41.411   4.429  -2.615
  440    HA   SER  51           HA       SER  51 -43.907   3.597  -3.608
  441   1HB   SER  51           HB1      SER  51 -42.447   1.924  -1.533
  442   2HB   SER  51           HB2      SER  51 -41.676   2.237  -3.100
  443    HG   SER  51           HG1      SER  51 -42.956   0.682  -3.742
  444    H    LYS  52           HN       LYS  52 -45.779   2.798  -2.617
  445    HA   LYS  52           HA       LYS  52 -46.510   4.210  -0.182
  446   1HB   LYS  52           HB1      LYS  52 -48.680   2.860  -0.509
  447   2HB   LYS  52           HB2      LYS  52 -47.925   2.144  -1.929
  448   1HG   LYS  52           HG1      LYS  52 -47.689   4.314  -2.982
  449   2HG   LYS  52           HG2      LYS  52 -48.203   5.138  -1.514
  450   1HD   LYS  52           HD1      LYS  52 -50.409   3.886  -1.710
  451   2HD   LYS  52           HD2      LYS  52 -49.881   3.354  -3.301
  452   1HE   LYS  52           HE1      LYS  52 -51.225   5.361  -3.579
  453   2HE   LYS  52           HE2      LYS  52 -49.551   5.768  -3.931
  454   1HZ   LYS  52           HZ1      LYS  52 -51.232   6.583  -1.702
  455   2HZ   LYS  52           HZ2      LYS  52 -50.016   7.440  -2.521
  456   3HZ   LYS  52           HZ3      LYS  52 -49.599   6.284  -1.348
  457    H    ALA  53           HN       ALA  53 -44.352   2.460   0.268
  458    HA   ALA  53           HA       ALA  53 -45.107  -0.061   1.353
  459   1HB   ALA  53           HB1      ALA  53 -42.845   1.860   2.089
  460   2HB   ALA  53           HB2      ALA  53 -42.746   0.502   0.973
  461   3HB   ALA  53           HB3      ALA  53 -42.954   0.211   2.697
  462    H    HIS  54           HN       HIS  54 -43.773   2.265   3.598
  463    HA   HIS  54           HA       HIS  54 -46.304   2.304   5.128
  464   1HB   HIS  54           HB1      HIS  54 -45.382   0.466   6.245
  465   2HB   HIS  54           HB2      HIS  54 -44.668   1.769   7.187
  466    HD1  HIS  54           HD1      HIS  54 -43.723  -1.039   5.199
  467    HD2  HIS  54           HD2      HIS  54 -41.902   2.472   6.242
  468    HE1  HIS  54           HE1      HIS  54 -41.327  -1.410   4.846
  469    H    SER  55           HN       SER  55 -46.280   4.532   4.614
  470    HA   SER  55           HA       SER  55 -44.686   6.088   6.543
  471   1HB   SER  55           HB1      SER  55 -43.271   5.985   4.440
  472   2HB   SER  55           HB2      SER  55 -43.844   7.638   4.739
  473    HG   SER  55           HG1      SER  55 -45.742   6.248   3.472
  474    H    LYS  56           HN       LYS  56 -47.296   5.744   6.797
  475    HA   LYS  56           HA       LYS  56 -49.069   7.409   5.376
  476   1HB   LYS  56           HB1      LYS  56 -50.512   7.231   7.336
  477   2HB   LYS  56           HB2      LYS  56 -49.136   6.939   8.394
  478   1HG   LYS  56           HG1      LYS  56 -49.240   5.041   6.166
  479   2HG   LYS  56           HG2      LYS  56 -50.692   4.977   7.158
  480   1HD   LYS  56           HD1      LYS  56 -47.902   4.947   8.347
  481   2HD   LYS  56           HD2      LYS  56 -48.761   3.473   7.915
  482   1HE   LYS  56           HE1      LYS  56 -50.441   5.301   9.460
  483   2HE   LYS  56           HE2      LYS  56 -48.983   4.853  10.334
  484   1HZ   LYS  56           HZ1      LYS  56 -51.107   3.374  10.428
  485   2HZ   LYS  56           HZ2      LYS  56 -49.563   2.668  10.387
  486   3HZ   LYS  56           HZ3      LYS  56 -50.499   2.751   8.971
  487    H    LYS  57           HN       LYS  57 -46.622   8.231   7.684
  488    HA   LYS  57           HA       LYS  57 -46.786  11.010   7.050
  489   1HB   LYS  57           HB1      LYS  57 -47.641  10.309   9.890
  490   2HB   LYS  57           HB2      LYS  57 -48.809  10.641   8.619
  491   1HG   LYS  57           HG1      LYS  57 -48.067  12.882   8.367
  492   2HG   LYS  57           HG2      LYS  57 -46.564  12.570   9.226
  493   1HD   LYS  57           HD1      LYS  57 -48.184  13.802  10.648
  494   2HD   LYS  57           HD2      LYS  57 -47.812  12.217  11.318
  495   1HE   LYS  57           HE1      LYS  57 -49.889  11.322  10.691
  496   2HE   LYS  57           HE2      LYS  57 -50.147  12.537   9.446
  497   1HZ   LYS  57           HZ1      LYS  57 -49.913  13.861  11.884
  498   2HZ   LYS  57           HZ2      LYS  57 -50.991  12.570  12.115
  499   3HZ   LYS  57                 LYS  57 -51.287  13.716  10.897
   
  Start of MODEL          14
 Raw file had 499 H/Q atoms
  Start of MODEL   14
    1   1H    LYS   1           HT1      LYS   1 -10.224  -4.726 -11.840
    2   2H    LYS   1           HT2      LYS   1  -9.012  -3.593 -12.206
    3   3H    LYS   1           HT3      LYS   1 -10.545  -3.063 -11.700
    4    HA   LYS   1           HA       LYS   1  -9.185  -4.866  -9.888
    5   1HB   LYS   1           HB1      LYS   1  -7.961  -2.708  -8.981
    6   2HB   LYS   1           HB2      LYS   1  -8.172  -2.091 -10.615
    7   1HG   LYS   1           HG1      LYS   1  -6.941  -3.977 -11.545
    8   2HG   LYS   1           HG2      LYS   1  -6.863  -4.755  -9.970
    9   1HD   LYS   1           HD1      LYS   1  -4.732  -3.615 -10.471
   10   2HD   LYS   1           HD2      LYS   1  -5.527  -2.865  -9.092
   11   1HE   LYS   1           HE1      LYS   1  -4.574  -1.335 -11.000
   12   2HE   LYS   1           HE2      LYS   1  -6.147  -0.962 -10.316
   13   1HZ   LYS   1           HZ1      LYS   1  -5.861  -1.050 -12.854
   14   2HZ   LYS   1           HZ2      LYS   1  -7.239  -1.755 -12.158
   15   3HZ   LYS   1           HZ3      LYS   1  -5.944  -2.734 -12.654
   16    OH   TYR   2           OH       TYR   2  -7.661   2.678  -8.575
   17    H    TYR   2           HN       TYR   2 -11.052  -2.023 -10.703
   18    HA   TYR   2           HA       TYR   2 -11.981  -1.748  -7.906
   19   1HB   TYR   2           HB1      TYR   2 -13.259   0.199  -8.833
   20   2HB   TYR   2           HB2      TYR   2 -12.721  -0.230 -10.457
   21    HD1  TYR   2           HD2      TYR   2 -11.521   0.826  -7.103
   22    HD2  TYR   2           HD1      TYR   2 -10.535   0.387 -11.217
   23    HE1  TYR   2           HE2      TYR   2  -9.460   2.107  -6.747
   24    HE2  TYR   2           HE1      TYR   2  -8.468   1.658 -10.857
   25    HH   TYR   2           HH       TYR   2  -6.919   2.104  -8.783
   26    H    ILE   3           HN       ILE   3 -12.815  -4.080  -8.295
   27    HA   ILE   3           HA       ILE   3 -15.663  -3.871  -9.198
   28    HB   ILE   3           HB       ILE   3 -13.677  -6.174  -9.500
   29   1HG1  ILE   3          HG11      ILE   3 -14.225  -4.021 -11.162
   30   2HG1  ILE   3          HG12      ILE   3 -15.258  -5.286 -11.816
   31   1HG2  ILE   3          HG21      ILE   3 -15.800  -7.189  -8.917
   32   2HG2  ILE   3          HG22      ILE   3 -15.749  -7.247 -10.673
   33   3HG2  ILE   3          HG23      ILE   3 -16.708  -6.013  -9.863
   34   1HD1  ILE   3           HD1      ILE   3 -13.235  -6.827 -11.749
   35   2HD1  ILE   3           HD2      ILE   3 -12.261  -5.412 -11.363
   36   3HD1  ILE   3           HD3      ILE   3 -13.113  -5.500 -12.903
   37    H    CYS   4           HN       CYS   4 -16.877  -3.930  -7.382
   38    HA   CYS   4           HA       CYS   4 -16.063  -4.851  -4.871
   39   1HB   CYS   4           HB1      CYS   4 -18.776  -4.684  -6.170
   40   2HB   CYS   4           HB2      CYS   4 -18.097  -3.623  -4.967
   41    H    GLU   5           HN       GLU   5 -15.730  -6.760  -4.017
   42    HA   GLU   5           HA       GLU   5 -15.883  -9.141  -5.593
   43   1HB   GLU   5           HB1      GLU   5 -15.220 -10.264  -3.439
   44   2HB   GLU   5           HB2      GLU   5 -15.495  -8.746  -2.593
   45   1HG   GLU   5           HG1      GLU   5 -13.718  -7.654  -3.775
   46   2HG   GLU   5           HG2      GLU   5 -13.599  -8.965  -4.946
   47    H    GLU   6           HN       GLU   6 -18.221  -7.533  -3.706
   48    HA   GLU   6           HA       GLU   6 -19.775 -10.007  -3.321
   49   1HB   GLU   6           HB1      GLU   6 -20.460  -7.196  -2.387
   50   2HB   GLU   6           HB2      GLU   6 -19.467  -8.298  -1.443
   51   1HG   GLU   6           HG1      GLU   6 -21.332  -9.969  -1.504
   52   2HG   GLU   6           HG2      GLU   6 -22.325  -8.786  -2.352
   53    H    CYS   7           HN       CYS   7 -20.819  -6.702  -4.085
   54    HA   CYS   7           HA       CYS   7 -23.025  -7.680  -5.663
   55   1HB   CYS   7           HB1      CYS   7 -23.583  -5.426  -5.980
   56   2HB   CYS   7           HB2      CYS   7 -21.925  -4.909  -6.003
   57    H    GLY   8           HN       GLY   8 -19.786  -6.518  -6.460
   58   1HA   GLY   8           HA1      GLY   8 -20.199  -7.563  -9.202
   59   2HA   GLY   8           HA2      GLY   8 -18.647  -7.143  -8.491
   60    H    ILE   9           HN       ILE   9 -20.309  -4.615  -7.556
   61    HA   ILE   9           HA       ILE   9 -21.001  -3.082  -9.785
   62    HB   ILE   9           HB       ILE   9 -21.113  -2.541  -7.211
   63   1HG1  ILE   9          HG11      ILE   9 -20.694  -0.668  -9.508
   64   2HG1  ILE   9          HG12      ILE   9 -20.762   0.015  -7.887
   65   1HG2  ILE   9          HG21      ILE   9 -19.268  -1.284  -6.318
   66   2HG2  ILE   9          HG22      ILE   9 -18.550  -1.032  -7.896
   67   3HG2  ILE   9          HG23      ILE   9 -18.490  -2.616  -7.141
   68   1HD1  ILE   9           HD1      ILE   9 -22.944  -0.927  -7.490
   69   2HD1  ILE   9           HD2      ILE   9 -22.850  -1.914  -8.945
   70   3HD1  ILE   9           HD3      ILE   9 -23.010  -0.166  -9.077
   71    NH1  ARG  10           NH1      ARG  10 -17.378  -3.858 -17.911
   72    NH2  ARG  10           NH2      ARG  10 -19.277  -4.422 -16.773
   73    H    ARG  10           HN       ARG  10 -19.913  -1.968 -11.320
   74    HA   ARG  10           HA       ARG  10 -16.935  -2.212 -11.264
   75   1HB   ARG  10           HB1      ARG  10 -18.736  -1.701 -13.673
   76   2HB   ARG  10           HB2      ARG  10 -18.302  -3.319 -13.140
   77   1HG   ARG  10           HG1      ARG  10 -15.832  -2.411 -13.265
   78   2HG   ARG  10           HG2      ARG  10 -16.532  -1.169 -14.295
   79   1HD   ARG  10           HD1      ARG  10 -16.706  -4.171 -14.722
   80   2HD   ARG  10           HD2      ARG  10 -15.767  -3.031 -15.686
   81    HE   ARG  10           HE       ARG  10 -18.403  -2.090 -15.789
   82   1HH1  ARG  10          HH11      ARG  10 -16.542  -3.312 -17.964
   83   2HH1  ARG  10          HH12      ARG  10 -17.605  -4.498 -18.646
   84   1HH2  ARG  10          HH21      ARG  10 -19.863  -4.301 -15.972
   85   2HH2  ARG  10          HH22      ARG  10 -19.535  -5.073 -17.488
   86    H    ABA  11           HN       ABU  11 -16.045  -0.387 -10.586
   87    HA   ABA  11           HA       ABU  11 -16.989   2.171 -11.818
   88   1HB   ABA  11           HB1      ABU  11 -16.599   3.295  -9.665
   89   2HB   ABA  11           HB2      ABU  11 -15.975   1.817  -8.962
   90   1HG   ABA  11           HG1      ABU  11 -18.820   2.321  -9.881
   91   2HG   ABA  11           HG2      ABU  11 -18.275   2.085  -8.224
   92   3HG   ABA  11           HG3      ABU  11 -18.223   0.749  -9.368
   93    H    LYS  12           HN       LYS  12 -15.357   2.398 -13.261
   94    HA   LYS  12           HA       LYS  12 -12.654   1.708 -12.870
   95   1HB   LYS  12           HB1      LYS  12 -12.246   3.362 -14.757
   96   2HB   LYS  12           HB2      LYS  12 -13.919   3.881 -14.599
   97   1HG   LYS  12           HG1      LYS  12 -14.518   2.186 -15.967
   98   2HG   LYS  12           HG2      LYS  12 -14.010   1.058 -14.716
   99   1HD   LYS  12           HD1      LYS  12 -11.640   1.286 -15.628
  100   2HD   LYS  12           HD2      LYS  12 -12.333   2.161 -16.989
  101   1HE   LYS  12           HE1      LYS  12 -12.610   0.113 -17.936
  102   2HE   LYS  12           HE2      LYS  12 -13.964  -0.066 -16.827
  103   1HZ   LYS  12           HZ1      LYS  12 -11.245  -0.736 -15.935
  104   2HZ   LYS  12           HZ2      LYS  12 -12.118  -1.842 -16.883
  105   3HZ   LYS  12           HZ3      LYS  12 -12.737  -1.335 -15.385
  106    H    LYS  13           HN       LYS  13 -14.307   3.901 -11.078
  107    HA   LYS  13           HA       LYS  13 -11.905   5.620 -10.691
  108   1HB   LYS  13           HB1      LYS  13 -13.624   7.227  -9.645
  109   2HB   LYS  13           HB2      LYS  13 -14.866   6.141 -10.257
  110   1HG   LYS  13           HG1      LYS  13 -14.114   6.473 -12.544
  111   2HG   LYS  13           HG2      LYS  13 -12.729   7.412 -11.995
  112   1HD   LYS  13           HD1      LYS  13 -14.122   9.202 -11.230
  113   2HD   LYS  13           HD2      LYS  13 -15.577   8.219 -11.354
  114   1HE   LYS  13           HE1      LYS  13 -15.454   9.753 -13.263
  115   2HE   LYS  13           HE2      LYS  13 -15.255   8.098 -13.822
  116   1HZ   LYS  13           HZ1      LYS  13 -12.778   9.340 -13.103
  117   2HZ   LYS  13           HZ2      LYS  13 -13.585  10.164 -14.349
  118   3HZ   LYS  13           HZ3      LYS  13 -13.208   8.517 -14.525
  119    HA   PRO  14           HA       PRO  14 -11.607   3.747  -6.630
  120   1HB   PRO  14           HB1      PRO  14  -9.553   4.612  -6.031
  121   2HB   PRO  14           HB2      PRO  14 -10.380   6.029  -5.384
  122   1HG   PRO  14           HG1      PRO  14  -8.674   5.968  -7.662
  123   2HG   PRO  14           HG2      PRO  14  -9.695   7.317  -7.158
  124   1HD   PRO  14           HD1      PRO  14 -10.952   6.972  -9.041
  125   2HD   PRO  14           HD2      PRO  14 -10.060   5.480  -9.399
  126    H    SER  15           HN       SER  15 -11.969   7.265  -6.154
  127    HA   SER  15           HA       SER  15 -13.419   7.414  -3.866
  128   1HB   SER  15           HB1      SER  15 -12.897   9.345  -5.492
  129   2HB   SER  15           HB2      SER  15 -14.522   9.437  -4.784
  130    HG   SER  15           HG1      SER  15 -14.345   9.562  -7.173
  131    H    MET  16           HN       MET  16 -14.757   6.438  -6.985
  132    HA   MET  16           HA       MET  16 -17.456   6.184  -5.979
  133   1HB   MET  16           HB1      MET  16 -17.651   4.711  -8.133
  134   2HB   MET  16           HB2      MET  16 -15.981   5.178  -8.438
  135   1HG   MET  16           HG1      MET  16 -17.458   6.720  -9.580
  136   2HG   MET  16           HG2      MET  16 -16.616   7.548  -8.298
  137   1HE   MET  16           HE1      MET  16 -19.703   5.913  -9.564
  138   2HE   MET  16           HE2      MET  16 -19.826   7.584 -10.114
  139   3HE   MET  16           HE3      MET  16 -21.018   6.935  -8.986
  140    H    LEU  17           HN       LEU  17 -14.908   3.778  -6.748
  141    HA   LEU  17           HA       LEU  17 -16.460   1.600  -5.672
  142   1HB   LEU  17           HB1      LEU  17 -13.429   1.632  -5.831
  143   2HB   LEU  17           HB2      LEU  17 -14.378   1.559  -7.297
  144    HG   LEU  17           HG       LEU  17 -13.701  -0.712  -6.499
  145   1HD1  LEU  17          HD11      LEU  17 -14.425  -1.619  -4.436
  146   2HD1  LEU  17          HD12      LEU  17 -15.580  -0.328  -4.159
  147   3HD1  LEU  17          HD13      LEU  17 -13.858  -0.006  -4.028
  148   1HD2  LEU  17          HD21      LEU  17 -16.676  -0.666  -6.086
  149   2HD2  LEU  17          HD22      LEU  17 -15.698  -1.720  -7.093
  150   3HD2  LEU  17          HD23      LEU  17 -16.044  -0.080  -7.613
  151    H    LYS  18           HN       LYS  18 -13.500   3.197  -4.487
  152    HA   LYS  18           HA       LYS  18 -13.177   2.131  -2.008
  153   1HB   LYS  18           HB1      LYS  18 -12.543   4.486  -1.217
  154   2HB   LYS  18           HB2      LYS  18 -13.179   5.103  -2.735
  155   1HG   LYS  18           HG1      LYS  18 -11.351   4.415  -3.906
  156   2HG   LYS  18           HG2      LYS  18 -11.294   2.864  -3.091
  157   1HD   LYS  18           HD1      LYS  18  -9.291   4.194  -2.549
  158   2HD   LYS  18           HD2      LYS  18 -10.269   3.947  -1.108
  159   1HE   LYS  18           HE1      LYS  18 -10.925   6.165  -1.007
  160   2HE   LYS  18           HE2      LYS  18 -10.845   6.379  -2.750
  161   1HZ   LYS  18           HZ1      LYS  18  -8.336   6.093  -2.407
  162   2HZ   LYS  18           HZ2      LYS  18  -8.662   6.447  -0.778
  163   3HZ   LYS  18           HZ3      LYS  18  -9.052   7.574  -1.986
  164    H    LYS  19           HN       LYS  19 -15.599   4.600  -2.797
  165    HA   LYS  19           HA       LYS  19 -16.667   4.680  -0.137
  166   1HB   LYS  19           HB1      LYS  19 -18.718   5.642  -1.515
  167   2HB   LYS  19           HB2      LYS  19 -17.611   5.568  -2.879
  168   1HG   LYS  19           HG1      LYS  19 -15.995   6.974  -1.678
  169   2HG   LYS  19           HG2      LYS  19 -17.044   7.003  -0.265
  170   1HD   LYS  19           HD1      LYS  19 -18.808   8.115  -1.582
  171   2HD   LYS  19           HD2      LYS  19 -17.787   8.058  -3.014
  172   1HE   LYS  19           HE1      LYS  19 -16.062   9.393  -1.750
  173   2HE   LYS  19           HE2      LYS  19 -17.223   9.562  -0.441
  174   1HZ   LYS  19           HZ1      LYS  19 -17.585  11.456  -1.639
  175   2HZ   LYS  19           HZ2      LYS  19 -18.750  10.428  -2.324
  176   3HZ   LYS  19           HZ3      LYS  19 -17.287  10.715  -3.138
  177    H    HIS  20           HN       HIS  20 -17.535   2.974  -3.096
  178    HA   HIS  20           HA       HIS  20 -19.933   1.780  -2.197
  179   1HB   HIS  20           HB1      HIS  20 -17.809   0.677  -4.077
  180   2HB   HIS  20           HB2      HIS  20 -19.174   1.676  -4.567
  181    HD1  HIS  20           HD1      HIS  20 -21.173   0.293  -5.131
  182    HD2  HIS  20           HD2      HIS  20 -18.578  -1.827  -2.828
  183    HE1  HIS  20           HE1      HIS  20 -22.132  -1.952  -4.962
  184    H    ILE  21           HN       ILE  21 -16.626   0.433  -2.209
  185    HA   ILE  21           HA       ILE  21 -17.297  -1.976  -0.891
  186    HB   ILE  21           HB       ILE  21 -14.985  -1.046  -1.942
  187   1HG1  ILE  21          HG11      ILE  21 -15.284  -3.064   0.310
  188   2HG1  ILE  21          HG12      ILE  21 -13.814  -2.889  -0.638
  189   1HG2  ILE  21          HG21      ILE  21 -14.430  -0.903   1.059
  190   2HG2  ILE  21          HG22      ILE  21 -14.804   0.536   0.130
  191   3HG2  ILE  21          HG23      ILE  21 -13.382  -0.401  -0.262
  192   1HD1  ILE  21           HD1      ILE  21 -14.709  -4.225  -2.225
  193   2HD1  ILE  21           HD2      ILE  21 -15.986  -3.046  -2.490
  194   3HD1  ILE  21           HD3      ILE  21 -16.210  -4.334  -1.313
  195    NH1  ARG  22           NH2      ARG  22 -14.065   2.940   5.895
  196    NH2  ARG  22           NH1      ARG  22 -16.319   2.884   6.268
  197    H    ARG  22           HN       ARG  22 -16.795   1.240   0.382
  198    HA   ARG  22           HA       ARG  22 -16.658   0.324   3.154
  199   1HB   ARG  22           HB1      ARG  22 -17.217   2.882   3.515
  200   2HB   ARG  22           HB2      ARG  22 -17.023   3.014   1.772
  201   1HG   ARG  22           HG1      ARG  22 -14.739   2.279   1.875
  202   2HG   ARG  22           HG2      ARG  22 -14.907   1.751   3.545
  203   1HD   ARG  22           HD1      ARG  22 -15.117   4.625   2.589
  204   2HD   ARG  22           HD2      ARG  22 -13.734   3.923   3.428
  205    HE   ARG  22           HE       ARG  22 -16.029   4.937   4.733
  206   1HH1  ARG  22          HH21      ARG  22 -13.293   3.289   5.363
  207   2HH1  ARG  22          HH22      ARG  22 -13.904   2.305   6.650
  208   1HH2  ARG  22          HH11      ARG  22 -17.236   3.192   6.015
  209   2HH2  ARG  22          HH12      ARG  22 -16.196   2.248   7.029
  210    H    THR  23           HN       THR  23 -19.190   0.799   0.903
  211    HA   THR  23           HA       THR  23 -21.205   1.432   2.902
  212    HB   THR  23           HB       THR  23 -21.648   0.182   0.115
  213    HG1  THR  23           HG1      THR  23 -20.486   2.453   0.899
  214   1HG2  THR  23          HG21      THR  23 -23.548   2.151   0.498
  215   2HG2  THR  23          HG22      THR  23 -23.351   1.624   2.166
  216   3HG2  THR  23          HG23      THR  23 -23.855   0.476   0.934
  217    H    HIS  24           HN       HIS  24 -19.464  -1.342   2.333
  218    HA   HIS  24           HA       HIS  24 -21.705  -3.178   3.034
  219   1HB   HIS  24           HB1      HIS  24 -19.724  -4.899   2.871
  220   2HB   HIS  24           HB2      HIS  24 -18.805  -3.567   2.183
  221    HD1  HIS  24           HD1      HIS  24 -22.069  -5.297   1.456
  222    HD2  HIS  24           HD2      HIS  24 -19.098  -3.319  -0.514
  223    HE1  HIS  24           HE1      HIS  24 -22.587  -5.535  -0.956
  224    H    THR  25           HN       THR  25 -19.825  -1.160   4.723
  225    HA   THR  25           HA       THR  25 -19.022  -3.061   6.839
  226    HB   THR  25           HB       THR  25 -18.327  -0.711   7.908
  227    HG1  THR  25           HG1      THR  25 -19.734  -0.045   5.844
  228   1HG2  THR  25          HG21      THR  25 -16.487  -1.979   6.969
  229   2HG2  THR  25          HG22      THR  25 -16.471  -0.484   6.037
  230   3HG2  THR  25          HG23      THR  25 -17.195  -1.938   5.356
  231    H    ASP  26           HN       ASP  26 -20.136   0.088   7.676
  232    HA   ASP  26           HA       ASP  26 -22.759  -0.844   8.563
  233   1HB   ASP  26           HB1      ASP  26 -22.186  -0.125  10.990
  234   2HB   ASP  26           HB2      ASP  26 -20.496  -0.189  10.500
  235    H    VAL  27           HN       VAL  27 -21.385   1.207   6.955
  236    HA   VAL  27           HA       VAL  27 -22.207   3.690   8.346
  237    HB   VAL  27           HB       VAL  27 -20.013   3.692   7.256
  238   1HG1  VAL  27          HG11      VAL  27 -20.327   1.883   5.683
  239   2HG1  VAL  27          HG12      VAL  27 -19.857   3.315   4.777
  240   3HG1  VAL  27          HG13      VAL  27 -21.541   2.802   4.798
  241   1HG2  VAL  27          HG21      VAL  27 -21.356   5.224   5.143
  242   2HG2  VAL  27          HG22      VAL  27 -20.268   5.786   6.407
  243   3HG2  VAL  27          HG23      VAL  27 -21.982   5.579   6.750
  244    NH1  ARG  28           NH2      ARG  28 -25.410  -2.858   4.841
  245    NH2  ARG  28           NH1      ARG  28 -23.131  -2.946   4.964
  246    H    ARG  28           HN       ARG  28 -24.313   2.122   7.773
  247    HA   ARG  28           HA       ARG  28 -25.676   3.555   5.541
  248   1HB   ARG  28           HB1      ARG  28 -27.010   1.323   5.393
  249   2HB   ARG  28           HB2      ARG  28 -25.712   0.637   6.362
  250   1HG   ARG  28           HG1      ARG  28 -24.100   1.583   4.613
  251   2HG   ARG  28           HG2      ARG  28 -25.512   1.865   3.607
  252   1HD   ARG  28           HD1      ARG  28 -24.740  -0.295   2.963
  253   2HD   ARG  28           HD2      ARG  28 -26.095  -0.616   4.041
  254    HE   ARG  28           HE       ARG  28 -23.566  -0.493   5.470
  255   1HH1  ARG  28          HH21      ARG  28 -26.244  -2.308   4.789
  256   2HH1  ARG  28          HH22      ARG  28 -25.469  -3.856   4.850
  257   1HH2  ARG  28          HH11      ARG  28 -22.255  -2.464   5.005
  258   2HH2  ARG  28          HH12      ARG  28 -23.151  -3.946   4.975
  259    HA   PRO  29           HA       PRO  29 -27.818   4.243   9.632
  260   1HB   PRO  29           HB1      PRO  29 -27.830   6.531   9.817
  261   2HB   PRO  29           HB2      PRO  29 -28.833   6.696   8.374
  262   1HG   PRO  29           HG1      PRO  29 -25.925   7.040   8.634
  263   2HG   PRO  29           HG2      PRO  29 -26.966   7.465   7.274
  264   1HD   PRO  29           HD1      PRO  29 -26.358   5.590   6.141
  265   2HD   PRO  29           HD2      PRO  29 -25.145   5.276   7.396
  266    OH   TYR  30           OH       TYR  30 -30.507   9.563   4.440
  267    H    TYR  30           HN       TYR  30 -28.866   3.957   6.377
  268    HA   TYR  30           HA       TYR  30 -31.726   4.082   7.142
  269   1HB   TYR  30           HB1      TYR  30 -32.100   3.646   4.692
  270   2HB   TYR  30           HB2      TYR  30 -30.375   3.427   4.472
  271    HD1  TYR  30           HD1      TYR  30 -32.716   5.931   5.994
  272    HD2  TYR  30           HD2      TYR  30 -29.165   5.303   3.738
  273    HE1  TYR  30           HE1      TYR  30 -32.450   8.354   5.727
  274    HE2  TYR  30           HE2      TYR  30 -28.898   7.722   3.482
  275    HH   TYR  30           HH       TYR  30 -30.033   9.722   3.620
  276    H    HIS  31           HN       HIS  31 -31.736   2.290   8.605
  277    HA   HIS  31           HA       HIS  31 -31.265  -0.392   7.396
  278   1HB   HIS  31           HB1      HIS  31 -31.532  -1.182   9.781
  279   2HB   HIS  31           HB2      HIS  31 -31.823   0.485  10.270
  280    HD1  HIS  31           HD1      HIS  31 -29.140  -1.771   9.531
  281    HD2  HIS  31           HD2      HIS  31 -29.543   2.252   9.856
  282    HE1  HIS  31           HE1      HIS  31 -26.871  -0.932   9.734
  283    H    CYS  32           HN       CYS  32 -32.869  -1.925   7.173
  284    HA   CYS  32           HA       CYS  32 -35.571  -0.973   6.912
  285   1HB   CYS  32           HB1      CYS  32 -34.240  -3.699   6.899
  286   2HB   CYS  32           HB2      CYS  32 -34.963  -2.847   5.560
  287    H    THR  33           HN       THR  33 -37.406  -1.514   8.168
  288    HA   THR  33           HA       THR  33 -36.816  -1.659  11.029
  289    HB   THR  33           HB       THR  33 -39.514  -1.637   9.538
  290    HG1  THR  33           HG1      THR  33 -37.599   0.117   9.737
  291   1HG2  THR  33          HG21      THR  33 -38.639  -1.301  12.445
  292   2HG2  THR  33          HG22      THR  33 -40.039  -2.176  11.835
  293   3HG2  THR  33          HG23      THR  33 -40.042  -0.417  11.856
  294    OH   TYR  34           OH       TYR  34 -43.236  -3.378   9.528
  295    H    TYR  34           HN       TYR  34 -36.557  -3.983   8.968
  296    HA   TYR  34           HA       TYR  34 -37.644  -6.016  10.845
  297   1HB   TYR  34           HB1      TYR  34 -38.579  -7.321   8.950
  298   2HB   TYR  34           HB2      TYR  34 -38.023  -6.103   7.809
  299    HD1  TYR  34           HD2      TYR  34 -39.057  -3.815   7.848
  300    HD2  TYR  34           HD1      TYR  34 -40.593  -6.987  10.229
  301    HE1  TYR  34           HE2      TYR  34 -41.150  -2.576   8.146
  302    HE2  TYR  34           HE1      TYR  34 -42.689  -5.746  10.524
  303    HH   TYR  34           HH       TYR  34 -43.027  -2.546   9.957
  304    H    CYS  35           HN       CYS  35 -36.079  -5.953   7.655
  305    HA   CYS  35           HA       CYS  35 -34.380  -8.197   8.230
  306   1HB   CYS  35           HB1      CYS  35 -33.262  -7.608   6.153
  307   2HB   CYS  35           HB2      CYS  35 -33.848  -5.972   6.236
  308    H    ASN  36           HN       ASN  36 -31.935  -7.836   7.733
  309    HA   ASN  36           HA       ASN  36 -30.962  -5.859   9.748
  310   1HB   ASN  36           HB1      ASN  36 -29.583  -8.351   8.614
  311   2HB   ASN  36           HB2      ASN  36 -30.470  -8.326  10.135
  312   1HD2  ASN  36          HD21      ASN  36 -29.669  -6.520  11.716
  313   2HD2  ASN  36          HD22      ASN  36 -27.990  -6.273  11.791
  314    H    PHE  37           HN       PHE  37 -31.503  -5.943   6.641
  315    HA   PHE  37           HA       PHE  37 -28.868  -5.159   5.614
  316   1HB   PHE  37           HB1      PHE  37 -31.399  -4.701   4.058
  317   2HB   PHE  37           HB2      PHE  37 -30.991  -6.374   4.436
  318    HD1  PHE  37           HD2      PHE  37 -28.611  -7.181   3.833
  319    HD2  PHE  37           HD1      PHE  37 -30.292  -3.581   2.308
  320    HE1  PHE  37           HE2      PHE  37 -26.961  -7.181   2.012
  321    HE2  PHE  37           HE1      PHE  37 -28.641  -3.584   0.487
  322    HZ   PHE  37           HZ       PHE  37 -26.975  -5.382   0.340
  323    H    SER  38           HN       SER  38 -28.517  -3.102   4.597
  324    HA   SER  38           HA       SER  38 -30.387  -0.955   5.329
  325   1HB   SER  38           HB1      SER  38 -27.463  -0.836   6.189
  326   2HB   SER  38           HB2      SER  38 -28.761  -1.330   7.283
  327    HG   SER  38           HG1      SER  38 -29.512   0.641   7.308
  328    H    PHE  39           HN       PHE  39 -29.521   1.183   4.522
  329    HA   PHE  39           HA       PHE  39 -27.848   0.797   2.087
  330   1HB   PHE  39           HB1      PHE  39 -29.487   1.976   0.764
  331   2HB   PHE  39           HB2      PHE  39 -30.355   2.515   2.202
  332    HD1  PHE  39           HD2      PHE  39 -31.634   0.857   3.570
  333    HD2  PHE  39           HD1      PHE  39 -29.865  -0.243  -0.143
  334    HE1  PHE  39           HE2      PHE  39 -32.964  -1.206   3.548
  335    HE2  PHE  39           HE1      PHE  39 -31.214  -2.296  -0.170
  336    HZ   PHE  39           HZ       PHE  39 -32.768  -2.777   1.675
  337    H    LYS  40           HN       LYS  40 -26.899   2.749   1.287
  338    HA   LYS  40           HA       LYS  40 -26.156   4.567   3.477
  339   1HB   LYS  40           HB1      LYS  40 -25.261   4.228   0.574
  340   2HB   LYS  40           HB2      LYS  40 -24.392   3.717   2.002
  341   1HG   LYS  40           HG1      LYS  40 -24.941   6.590   1.180
  342   2HG   LYS  40           HG2      LYS  40 -23.391   5.771   1.141
  343   1HD   LYS  40           HD1      LYS  40 -23.835   5.340   3.682
  344   2HD   LYS  40           HD2      LYS  40 -24.974   6.667   3.537
  345   1HE   LYS  40           HE1      LYS  40 -22.006   6.694   3.385
  346   2HE   LYS  40           HE2      LYS  40 -23.107   7.926   3.987
  347   1HZ   LYS  40           HZ1      LYS  40 -23.746   8.195   1.540
  348   2HZ   LYS  40           HZ2      LYS  40 -22.294   7.378   1.211
  349   3HZ   LYS  40           HZ3      LYS  40 -22.267   8.846   2.065
  350    H    THR  41           HN       THR  41 -28.416   4.435   0.979
  351    HA   THR  41           HA       THR  41 -28.847   7.388   1.162
  352    HB   THR  41           HB       THR  41 -29.385   7.427  -1.192
  353    HG1  THR  41           HG1      THR  41 -30.797   5.714  -1.180
  354   1HG2  THR  41          HG21      THR  41 -27.502   6.361  -2.281
  355   2HG2  THR  41          HG22      THR  41 -27.515   5.007  -1.154
  356   3HG2  THR  41          HG23      THR  41 -26.906   6.577  -0.639
  357    H    LYS  42           HN       LYS  42 -31.032   8.087   0.920
  358    HA   LYS  42           HA       LYS  42 -32.864   6.303   2.296
  359   1HB   LYS  42           HB1      LYS  42 -33.577   9.013   1.137
  360   2HB   LYS  42           HB2      LYS  42 -32.574   8.902   2.578
  361   1HG   LYS  42           HG1      LYS  42 -34.287   7.958   3.862
  362   2HG   LYS  42           HG2      LYS  42 -35.142   7.342   2.454
  363   1HD   LYS  42           HD1      LYS  42 -36.061   9.436   1.933
  364   2HD   LYS  42           HD2      LYS  42 -34.808  10.311   2.805
  365   1HE   LYS  42           HE1      LYS  42 -36.798   8.498   4.194
  366   2HE   LYS  42           HE2      LYS  42 -37.093  10.215   3.951
  367   1HZ   LYS  42           HZ1      LYS  42 -34.661   9.178   5.279
  368   2HZ   LYS  42           HZ2      LYS  42 -36.076   9.576   6.129
  369   3HZ   LYS  42           HZ3      LYS  42 -35.241  10.774   5.262
  370    H    GLY  43           HN       GLY  43 -32.062   6.926  -0.899
  371   1HA   GLY  43           HA1      GLY  43 -33.136   6.445  -2.940
  372   2HA   GLY  43           HA2      GLY  43 -34.675   6.680  -2.113
  373    H    ASN  44           HN       ASN  44 -31.998   4.379  -1.706
  374    HA   ASN  44           HA       ASN  44 -33.472   2.137  -2.674
  375   1HB   ASN  44           HB1      ASN  44 -31.611   0.884  -1.289
  376   2HB   ASN  44           HB2      ASN  44 -30.967   2.495  -0.995
  377   1HD2  ASN  44          HD21      ASN  44 -29.354   2.972  -2.464
  378   2HD2  ASN  44          HD22      ASN  44 -29.343   2.512  -4.098
  379    H    LEU  45           HN       LEU  45 -33.495   3.812   0.305
  380    HA   LEU  45           HA       LEU  45 -34.291   1.657   2.019
  381   1HB   LEU  45           HB1      LEU  45 -34.924   4.656   2.182
  382   2HB   LEU  45           HB2      LEU  45 -33.478   3.906   2.819
  383    HG   LEU  45           HG       LEU  45 -34.951   4.200   4.688
  384   1HD1  LEU  45          HD11      LEU  45 -37.225   2.586   3.623
  385   2HD1  LEU  45          HD12      LEU  45 -37.033   4.191   2.943
  386   3HD1  LEU  45          HD13      LEU  45 -37.234   3.991   4.675
  387   1HD2  LEU  45          HD21      LEU  45 -35.072   2.008   5.549
  388   2HD2  LEU  45          HD22      LEU  45 -33.810   1.902   4.328
  389   3HD2  LEU  45          HD23      LEU  45 -35.422   1.295   3.982
  390    H    THR  46           HN       THR  46 -36.224   4.222   0.473
  391    HA   THR  46           HA       THR  46 -38.744   3.064   1.182
  392    HB   THR  46           HB       THR  46 -38.179   4.792  -1.298
  393    HG1  THR  46           HG1      THR  46 -38.802   5.731   1.282
  394   1HG2  THR  46          HG21      THR  46 -40.568   4.085  -0.990
  395   2HG2  THR  46          HG22      THR  46 -40.412   5.782  -0.546
  396   3HG2  THR  46          HG23      THR  46 -40.499   4.548   0.708
  397    H    LYS  47           HN       LYS  47 -36.569   2.585  -1.527
  398    HA   LYS  47           HA       LYS  47 -38.370   1.186  -3.237
  399   1HB   LYS  47           HB1      LYS  47 -35.371   0.702  -2.874
  400   2HB   LYS  47           HB2      LYS  47 -36.046   2.000  -3.853
  401   1HG   LYS  47           HG1      LYS  47 -37.325  -0.480  -4.574
  402   2HG   LYS  47           HG2      LYS  47 -35.580  -0.697  -4.633
  403   1HD   LYS  47           HD1      LYS  47 -35.396   1.362  -6.026
  404   2HD   LYS  47           HD2      LYS  47 -37.148   1.515  -6.001
  405   1HE   LYS  47           HE1      LYS  47 -37.008   0.284  -7.932
  406   2HE   LYS  47           HE2      LYS  47 -36.913  -1.069  -6.812
  407   1HZ   LYS  47           HZ1      LYS  47 -34.479  -0.847  -6.877
  408   2HZ   LYS  47           HZ2      LYS  47 -34.637   0.355  -8.067
  409   3HZ   LYS  47           HZ3      LYS  47 -35.151  -1.231  -8.388
  410    H    HIS  48           HN       HIS  48 -36.427   0.109  -0.498
  411    HA   HIS  48           HA       HIS  48 -37.103  -2.703  -0.970
  412   1HB   HIS  48           HB1      HIS  48 -35.753  -1.232   1.349
  413   2HB   HIS  48           HB2      HIS  48 -34.970  -2.227   0.126
  414    HD1  HIS  48           HD1      HIS  48 -35.916  -4.799   0.229
  415    HD2  HIS  48           HD2      HIS  48 -36.385  -2.615   3.654
  416    HE1  HIS  48           HE1      HIS  48 -36.302  -6.443   1.999
  417    H    MET  49           HN       MET  49 -38.304  -0.054   0.971
  418    HA   MET  49           HA       MET  49 -40.022  -1.778   2.590
  419   1HB   MET  49           HB1      MET  49 -40.998   0.467   3.307
  420   2HB   MET  49           HB2      MET  49 -39.918   1.246   2.156
  421   1HG   MET  49           HG1      MET  49 -38.984   1.219   4.443
  422   2HG   MET  49           HG2      MET  49 -37.978   0.381   3.293
  423   1HE   MET  49           HE1      MET  49 -40.475   0.101   6.221
  424   2HE   MET  49           HE2      MET  49 -38.827   0.534   6.678
  425   3HE   MET  49           HE3      MET  49 -39.521  -0.991   7.225
  426    H    LYS  50           HN       LYS  50 -40.283   0.035  -0.374
  427    HA   LYS  50           HA       LYS  50 -43.142   0.113  -0.538
  428   1HB   LYS  50           HB1      LYS  50 -41.200  -0.129  -2.882
  429   2HB   LYS  50           HB2      LYS  50 -41.416   1.374  -1.994
  430   1HG   LYS  50           HG1      LYS  50 -43.855  -0.047  -3.013
  431   2HG   LYS  50           HG2      LYS  50 -42.874   0.860  -4.157
  432   1HD   LYS  50           HD1      LYS  50 -43.340   2.899  -3.151
  433   2HD   LYS  50           HD2      LYS  50 -43.576   2.180  -1.562
  434   1HE   LYS  50           HE1      LYS  50 -45.472   1.814  -3.905
  435   2HE   LYS  50           HE2      LYS  50 -45.715   2.973  -2.605
  436   1HZ   LYS  50           HZ1      LYS  50 -45.373   0.839  -1.150
  437   2HZ   LYS  50           HZ2      LYS  50 -45.912   0.059  -2.559
  438   3HZ   LYS  50           HZ3      LYS  50 -46.890   1.227  -1.807
  439    H    SER  51           HN       SER  51 -40.768  -2.173  -1.871
  440    HA   SER  51           HA       SER  51 -42.425  -3.900  -3.262
  441   1HB   SER  51           HB1      SER  51 -39.881  -4.131  -2.846
  442   2HB   SER  51           HB2      SER  51 -40.768  -5.663  -2.746
  443    HG   SER  51           HG1      SER  51 -39.322  -4.688  -0.872
  444    H    LYS  52           HN       LYS  52 -43.403  -5.947  -2.669
  445    HA   LYS  52           HA       LYS  52 -45.137  -5.651  -0.372
  446   1HB   LYS  52           HB1      LYS  52 -45.453  -8.271  -1.127
  447   2HB   LYS  52           HB2      LYS  52 -44.713  -7.625  -2.587
  448   1HG   LYS  52           HG1      LYS  52 -47.157  -6.440  -1.223
  449   2HG   LYS  52           HG2      LYS  52 -47.207  -7.481  -2.639
  450   1HD   LYS  52           HD1      LYS  52 -45.847  -5.852  -3.902
  451   2HD   LYS  52           HD2      LYS  52 -45.762  -4.812  -2.486
  452   1HE   LYS  52           HE1      LYS  52 -48.008  -4.209  -2.622
  453   2HE   LYS  52           HE2      LYS  52 -48.458  -5.680  -3.475
  454   1HZ   LYS  52           HZ1      LYS  52 -48.073  -4.737  -5.430
  455   2HZ   LYS  52           HZ2      LYS  52 -46.593  -4.070  -4.935
  456   3HZ   LYS  52           HZ3      LYS  52 -48.044  -3.253  -4.605
  457    H    ALA  53           HN       ALA  53 -42.037  -6.171  -0.255
  458    HA   ALA  53           HA       ALA  53 -41.380  -8.539   0.992
  459   1HB   ALA  53           HB1      ALA  53 -40.587  -5.695   1.786
  460   2HB   ALA  53           HB2      ALA  53 -39.723  -6.756   0.677
  461   3HB   ALA  53           HB3      ALA  53 -39.774  -7.134   2.396
  462    H    HIS  54           HN       HIS  54 -41.625  -5.907   3.281
  463    HA   HIS  54           HA       HIS  54 -43.843  -7.185   4.697
  464   1HB   HIS  54           HB1      HIS  54 -42.264  -8.509   5.768
  465   2HB   HIS  54           HB2      HIS  54 -42.149  -7.089   6.800
  466    HD1  HIS  54           HD1      HIS  54 -40.170  -9.102   4.596
  467    HD2  HIS  54           HD2      HIS  54 -39.903  -5.280   6.027
  468    HE1  HIS  54           HE1      HIS  54 -37.846  -8.429   4.232
  469    H    SER  55           HN       SER  55 -44.913  -5.258   4.542
  470    HA   SER  55           HA       SER  55 -43.935  -3.146   6.399
  471   1HB   SER  55           HB1      SER  55 -45.003  -2.706   3.554
  472   2HB   SER  55           HB2      SER  55 -43.366  -2.333   4.130
  473    HG   SER  55           HG1      SER  55 -44.124  -0.574   4.976
  474    H    LYS  56           HN       LYS  56 -45.928  -5.201   6.715
  475    HA   LYS  56           HA       LYS  56 -48.536  -3.912   6.398
  476   1HB   LYS  56           HB1      LYS  56 -49.416  -5.968   7.208
  477   2HB   LYS  56           HB2      LYS  56 -47.995  -6.299   8.192
  478   1HG   LYS  56           HG1      LYS  56 -46.666  -6.788   6.225
  479   2HG   LYS  56           HG2      LYS  56 -47.955  -6.247   5.159
  480   1HD   LYS  56           HD1      LYS  56 -49.407  -8.069   5.957
  481   2HD   LYS  56           HD2      LYS  56 -48.154  -8.593   7.077
  482   1HE   LYS  56           HE1      LYS  56 -46.637  -8.780   4.982
  483   2HE   LYS  56           HE2      LYS  56 -48.131  -8.698   4.058
  484   1HZ   LYS  56           HZ1      LYS  56 -48.923 -10.573   5.527
  485   2HZ   LYS  56           HZ2      LYS  56 -47.306 -10.746   6.020
  486   3HZ   LYS  56           HZ3      LYS  56 -47.722 -10.955   4.387
  487    H    LYS  57           HN       LYS  57 -47.172  -2.111   7.759
  488    HA   LYS  57           HA       LYS  57 -46.983  -2.317  10.548
  489   1HB   LYS  57           HB1      LYS  57 -47.905   0.143   8.992
  490   2HB   LYS  57           HB2      LYS  57 -46.223  -0.366   9.094
  491   1HG   LYS  57           HG1      LYS  57 -46.331  -0.192  11.569
  492   2HG   LYS  57           HG2      LYS  57 -48.003   0.343  11.452
  493   1HD   LYS  57           HD1      LYS  57 -46.893   2.113   9.756
  494   2HD   LYS  57           HD2      LYS  57 -45.491   1.808  10.776
  495   1HE   LYS  57           HE1      LYS  57 -48.235   2.730  11.687
  496   2HE   LYS  57           HE2      LYS  57 -46.745   3.662  11.729
  497   1HZ   LYS  57           HZ1      LYS  57 -46.692   2.912  13.826
  498   2HZ   LYS  57           HZ2      LYS  57 -46.013   1.526  13.116
  499   3HZ   LYS  57                 LYS  57 -47.668   1.561  13.500
   
  Start of MODEL          15
 Raw file had 499 H/Q atoms
  Start of MODEL   15
    1   1H    LYS   1           HT1      LYS   1  -8.727  -1.921 -10.591
    2   2H    LYS   1           HT2      LYS   1  -7.811  -3.213 -11.204
    3   3H    LYS   1           HT3      LYS   1  -7.935  -2.980  -9.525
    4    HA   LYS   1           HA       LYS   1 -10.101  -3.773 -11.390
    5   1HB   LYS   1           HB1      LYS   1 -10.127  -5.830  -9.974
    6   2HB   LYS   1           HB2      LYS   1  -8.813  -5.187  -8.996
    7   1HG   LYS   1           HG1      LYS   1  -8.367  -5.270 -11.945
    8   2HG   LYS   1           HG2      LYS   1  -8.389  -6.820 -11.112
    9   1HD   LYS   1           HD1      LYS   1  -6.778  -4.573  -9.933
   10   2HD   LYS   1           HD2      LYS   1  -6.130  -5.446 -11.317
   11   1HE   LYS   1           HE1      LYS   1  -7.199  -6.884  -8.879
   12   2HE   LYS   1           HE2      LYS   1  -5.521  -6.367  -8.992
   13   1HZ   LYS   1           HZ1      LYS   1  -6.110  -7.635 -11.376
   14   2HZ   LYS   1           HZ2      LYS   1  -6.767  -8.616 -10.154
   15   3HZ   LYS   1           HZ3      LYS   1  -5.120  -8.205 -10.118
   16    OH   TYR   2           OH       TYR   2  -7.839   2.598  -8.791
   17    H    TYR   2           HN       TYR   2 -11.435  -2.043 -10.777
   18    HA   TYR   2           HA       TYR   2 -12.136  -1.829  -7.902
   19   1HB   TYR   2           HB1      TYR   2 -13.461   0.149  -8.676
   20   2HB   TYR   2           HB2      TYR   2 -13.048  -0.238 -10.345
   21    HD1  TYR   2           HD2      TYR   2 -11.574   0.706  -7.063
   22    HD2  TYR   2           HD1      TYR   2 -10.946   0.419 -11.259
   23    HE1  TYR   2           HE2      TYR   2  -9.479   1.963  -6.837
   24    HE2  TYR   2           HE1      TYR   2  -8.848   1.666 -11.032
   25    HH   TYR   2           HH       TYR   2  -7.839   3.024  -7.930
   26    H    ILE   3           HN       ILE   3 -12.886  -4.239  -9.054
   27    HA   ILE   3           HA       ILE   3 -15.825  -3.948  -9.481
   28    HB   ILE   3           HB       ILE   3 -14.081  -6.414  -9.909
   29   1HG1  ILE   3          HG11      ILE   3 -14.389  -3.955 -11.520
   30   2HG1  ILE   3          HG12      ILE   3 -14.670  -5.445 -12.414
   31   1HG2  ILE   3          HG21      ILE   3 -15.987  -7.101 -11.342
   32   2HG2  ILE   3          HG22      ILE   3 -16.778  -5.551 -11.080
   33   3HG2  ILE   3          HG23      ILE   3 -16.597  -6.683  -9.745
   34   1HD1  ILE   3           HD1      ILE   3 -12.242  -4.975 -10.655
   35   2HD1  ILE   3           HD2      ILE   3 -12.254  -4.703 -12.394
   36   3HD1  ILE   3           HD3      ILE   3 -12.506  -6.325 -11.755
   37    H    CYS   4           HN       CYS   4 -16.756  -3.965  -7.457
   38    HA   CYS   4           HA       CYS   4 -15.788  -5.223  -5.168
   39   1HB   CYS   4           HB1      CYS   4 -18.648  -4.830  -6.089
   40   2HB   CYS   4           HB2      CYS   4 -17.746  -3.816  -4.998
   41    H    GLU   5           HN       GLU   5 -15.198  -7.219  -4.875
   42    HA   GLU   5           HA       GLU   5 -15.857  -9.394  -6.553
   43   1HB   GLU   5           HB1      GLU   5 -14.952 -10.785  -4.609
   44   2HB   GLU   5           HB2      GLU   5 -14.865  -9.298  -3.671
   45   1HG   GLU   5           HG1      GLU   5 -12.783  -9.072  -4.566
   46   2HG   GLU   5           HG2      GLU   5 -13.620  -8.579  -6.036
   47    H    GLU   6           HN       GLU   6 -17.650  -7.989  -3.972
   48    HA   GLU   6           HA       GLU   6 -19.224 -10.403  -3.524
   49   1HB   GLU   6           HB1      GLU   6 -19.927  -7.629  -2.526
   50   2HB   GLU   6           HB2      GLU   6 -18.621  -8.539  -1.780
   51   1HG   GLU   6           HG1      GLU   6 -20.228 -10.436  -1.409
   52   2HG   GLU   6           HG2      GLU   6 -21.520  -9.415  -2.033
   53    H    CYS   7           HN       CYS   7 -20.216  -7.077  -4.319
   54    HA   CYS   7           HA       CYS   7 -22.661  -8.066  -5.563
   55   1HB   CYS   7           HB1      CYS   7 -23.174  -5.761  -5.934
   56   2HB   CYS   7           HB2      CYS   7 -21.500  -5.294  -5.906
   57    H    GLY   8           HN       GLY   8 -19.773  -6.373  -6.738
   58   1HA   GLY   8           HA1      GLY   8 -20.286  -7.561  -9.434
   59   2HA   GLY   8           HA2      GLY   8 -18.686  -7.174  -8.813
   60    H    ILE   9           HN       ILE   9 -20.159  -4.673  -7.644
   61    HA   ILE   9           HA       ILE   9 -20.986  -3.078  -9.822
   62    HB   ILE   9           HB       ILE   9 -21.164  -2.645  -7.251
   63   1HG1  ILE   9          HG11      ILE   9 -21.948  -1.094  -9.038
   64   2HG1  ILE   9          HG12      ILE   9 -20.353  -0.357  -9.077
   65   1HG2  ILE   9          HG21      ILE   9 -18.564  -1.123  -7.778
   66   2HG2  ILE   9          HG22      ILE   9 -18.554  -2.733  -7.074
   67   3HG2  ILE   9          HG23      ILE   9 -19.347  -1.418  -6.238
   68   1HD1  ILE   9           HD1      ILE   9 -20.568   0.474  -6.847
   69   2HD1  ILE   9           HD2      ILE   9 -21.955  -0.560  -6.519
   70   3HD1  ILE   9           HD3      ILE   9 -22.117   0.808  -7.613
   71    NH1  ARG  10           NH1      ARG  10 -14.077  -3.835 -15.821
   72    NH2  ARG  10           NH2      ARG  10 -14.325  -2.942 -17.910
   73    H    ARG  10           HN       ARG  10 -19.890  -2.172 -11.443
   74    HA   ARG  10           HA       ARG  10 -16.914  -2.255 -11.317
   75   1HB   ARG  10           HB1      ARG  10 -18.672  -1.658 -13.738
   76   2HB   ARG  10           HB2      ARG  10 -18.276  -3.301 -13.251
   77   1HG   ARG  10           HG1      ARG  10 -15.809  -2.561 -13.328
   78   2HG   ARG  10           HG2      ARG  10 -16.381  -1.128 -14.173
   79   1HD   ARG  10           HD1      ARG  10 -17.662  -2.934 -15.656
   80   2HD   ARG  10           HD2      ARG  10 -16.373  -3.987 -15.074
   81    HE   ARG  10           HE       ARG  10 -15.867  -1.448 -16.577
   82   1HH1  ARG  10          HH11      ARG  10 -14.390  -3.895 -14.874
   83   2HH1  ARG  10          HH12      ARG  10 -13.292  -4.374 -16.124
   84   1HH2  ARG  10          HH21      ARG  10 -14.822  -2.333 -18.527
   85   2HH2  ARG  10          HH22      ARG  10 -13.543  -3.466 -18.247
   86    H    ABA  11           HN       ABU  11 -16.117  -0.435 -10.472
   87    HA   ABA  11           HA       ABU  11 -17.118   2.166 -11.591
   88   1HB   ABA  11           HB1      ABU  11 -16.592   3.180  -9.410
   89   2HB   ABA  11           HB2      ABU  11 -15.947   1.666  -8.812
   90   1HG   ABA  11           HG1      ABU  11 -18.259   0.661  -9.264
   91   2HG   ABA  11           HG2      ABU  11 -18.826   2.307  -9.507
   92   3HG   ABA  11           HG3      ABU  11 -18.180   1.819  -7.944
   93    H    LYS  12           HN       LYS  12 -15.594   2.565 -13.094
   94    HA   LYS  12           HA       LYS  12 -12.849   1.920 -12.914
   95   1HB   LYS  12           HB1      LYS  12 -12.601   3.640 -14.746
   96   2HB   LYS  12           HB2      LYS  12 -14.264   4.134 -14.458
   97   1HG   LYS  12           HG1      LYS  12 -15.087   1.922 -15.041
   98   2HG   LYS  12           HG2      LYS  12 -13.450   1.293 -15.160
   99   1HD   LYS  12           HD1      LYS  12 -14.561   3.533 -16.895
  100   2HD   LYS  12           HD2      LYS  12 -14.465   1.851 -17.398
  101   1HE   LYS  12           HE1      LYS  12 -11.895   2.258 -16.563
  102   2HE   LYS  12           HE2      LYS  12 -12.304   3.871 -17.134
  103   1HZ   LYS  12           HZ1      LYS  12 -11.693   1.572 -18.634
  104   2HZ   LYS  12           HZ2      LYS  12 -11.970   3.157 -19.178
  105   3HZ   LYS  12           HZ3      LYS  12 -13.270   2.074 -19.015
  106    H    LYS  13           HN       LYS  13 -14.261   3.807 -10.735
  107    HA   LYS  13           HA       LYS  13 -11.844   5.523 -10.491
  108   1HB   LYS  13           HB1      LYS  13 -13.448   7.289  -9.512
  109   2HB   LYS  13           HB2      LYS  13 -14.762   6.288 -10.121
  110   1HG   LYS  13           HG1      LYS  13 -13.827   6.448 -12.408
  111   2HG   LYS  13           HG2      LYS  13 -12.507   7.441 -11.801
  112   1HD   LYS  13           HD1      LYS  13 -15.226   8.375 -11.070
  113   2HD   LYS  13           HD2      LYS  13 -14.837   8.467 -12.784
  114   1HE   LYS  13           HE1      LYS  13 -14.192  10.541 -11.548
  115   2HE   LYS  13           HE2      LYS  13 -12.811   9.747 -12.294
  116   1HZ   LYS  13           HZ1      LYS  13 -13.568   9.158  -9.508
  117   2HZ   LYS  13           HZ2      LYS  13 -12.620  10.515  -9.883
  118   3HZ   LYS  13           HZ3      LYS  13 -12.064   8.958 -10.270
  119    HA   PRO  14           HA       PRO  14 -11.610   3.857  -6.371
  120   1HB   PRO  14           HB1      PRO  14  -9.618   4.840  -5.748
  121   2HB   PRO  14           HB2      PRO  14 -10.534   6.219  -5.138
  122   1HG   PRO  14           HG1      PRO  14  -8.773   6.238  -7.366
  123   2HG   PRO  14           HG2      PRO  14  -9.904   7.518  -6.928
  124   1HD   PRO  14           HD1      PRO  14 -11.048   7.044  -8.858
  125   2HD   PRO  14           HD2      PRO  14 -10.067   5.589  -9.121
  126    H    SER  15           HN       SER  15 -12.136   7.351  -5.914
  127    HA   SER  15           HA       SER  15 -13.656   7.460  -3.678
  128   1HB   SER  15           HB1      SER  15 -13.245   9.467  -5.095
  129   2HB   SER  15           HB2      SER  15 -14.992   9.337  -4.801
  130    HG   SER  15           HG1      SER  15 -13.991   7.844  -6.906
  131    H    MET  16           HN       MET  16 -14.952   6.486  -6.828
  132    HA   MET  16           HA       MET  16 -17.630   6.097  -5.842
  133   1HB   MET  16           HB1      MET  16 -17.745   4.611  -7.988
  134   2HB   MET  16           HB2      MET  16 -16.085   5.127  -8.273
  135   1HG   MET  16           HG1      MET  16 -17.576   6.617  -9.450
  136   2HG   MET  16           HG2      MET  16 -16.801   7.479  -8.148
  137   1HE   MET  16           HE1      MET  16 -19.940   6.698  -9.983
  138   2HE   MET  16           HE2      MET  16 -19.212   8.304  -9.982
  139   3HE   MET  16           HE3      MET  16 -20.830   8.070  -9.323
  140    H    LEU  17           HN       LEU  17 -14.971   3.794  -6.540
  141    HA   LEU  17           HA       LEU  17 -16.455   1.562  -5.473
  142   1HB   LEU  17           HB1      LEU  17 -13.421   1.718  -5.620
  143   2HB   LEU  17           HB2      LEU  17 -14.369   1.584  -7.085
  144    HG   LEU  17           HG       LEU  17 -13.536  -0.639  -6.196
  145   1HD1  LEU  17          HD11      LEU  17 -14.414  -1.585  -4.199
  146   2HD1  LEU  17          HD12      LEU  17 -15.599  -0.305  -4.010
  147   3HD1  LEU  17          HD13      LEU  17 -13.891   0.034  -3.762
  148   1HD2  LEU  17          HD21      LEU  17 -16.550  -0.666  -6.050
  149   2HD2  LEU  17          HD22      LEU  17 -15.463  -1.823  -6.801
  150   3HD2  LEU  17          HD23      LEU  17 -15.741  -0.263  -7.553
  151    H    LYS  18           HN       LYS  18 -13.570   3.274  -4.264
  152    HA   LYS  18           HA       LYS  18 -13.208   2.246  -1.780
  153   1HB   LYS  18           HB1      LYS  18 -13.193   5.125  -2.738
  154   2HB   LYS  18           HB2      LYS  18 -11.832   4.104  -2.300
  155   1HG   LYS  18           HG1      LYS  18 -12.889   4.133   0.102
  156   2HG   LYS  18           HG2      LYS  18 -13.799   5.520  -0.478
  157   1HD   LYS  18           HD1      LYS  18 -10.819   5.524  -0.894
  158   2HD   LYS  18           HD2      LYS  18 -11.437   5.836   0.718
  159   1HE   LYS  18           HE1      LYS  18 -12.716   7.282  -1.563
  160   2HE   LYS  18           HE2      LYS  18 -11.123   7.812  -1.046
  161   1HZ   LYS  18           HZ1      LYS  18 -12.203   8.967   0.488
  162   2HZ   LYS  18           HZ2      LYS  18 -12.482   7.491   1.281
  163   3HZ   LYS  18           HZ3      LYS  18 -13.659   8.130   0.237
  164    H    LYS  19           HN       LYS  19 -15.804   4.494  -2.629
  165    HA   LYS  19           HA       LYS  19 -16.837   4.556   0.061
  166   1HB   LYS  19           HB1      LYS  19 -18.909   5.507  -1.250
  167   2HB   LYS  19           HB2      LYS  19 -17.863   5.428  -2.664
  168   1HG   LYS  19           HG1      LYS  19 -16.223   6.884  -1.594
  169   2HG   LYS  19           HG2      LYS  19 -17.140   6.873  -0.092
  170   1HD   LYS  19           HD1      LYS  19 -19.030   7.981  -1.204
  171   2HD   LYS  19           HD2      LYS  19 -18.178   7.934  -2.742
  172   1HE   LYS  19           HE1      LYS  19 -16.402   9.104  -0.850
  173   2HE   LYS  19           HE2      LYS  19 -17.963   9.885  -0.634
  174   1HZ   LYS  19           HZ1      LYS  19 -17.941  10.062  -3.174
  175   2HZ   LYS  19           HZ2      LYS  19 -16.273   9.770  -3.044
  176   3HZ   LYS  19           HZ3      LYS  19 -16.960  11.123  -2.282
  177    H    HIS  20           HN       HIS  20 -17.680   2.880  -2.932
  178    HA   HIS  20           HA       HIS  20 -20.020   1.575  -2.029
  179   1HB   HIS  20           HB1      HIS  20 -17.859   0.612  -3.947
  180   2HB   HIS  20           HB2      HIS  20 -19.299   1.516  -4.403
  181    HD1  HIS  20           HD1      HIS  20 -21.217   0.005  -4.949
  182    HD2  HIS  20           HD2      HIS  20 -18.433  -1.963  -2.739
  183    HE1  HIS  20           HE1      HIS  20 -22.006  -2.312  -4.823
  184    H    ILE  21           HN       ILE  21 -16.675   0.339  -2.113
  185    HA   ILE  21           HA       ILE  21 -17.233  -2.090  -0.775
  186    HB   ILE  21           HB       ILE  21 -15.068  -1.593  -1.910
  187   1HG1  ILE  21          HG11      ILE  21 -15.156  -2.590   0.906
  188   2HG1  ILE  21          HG12      ILE  21 -13.573  -2.244   0.233
  189   1HG2  ILE  21          HG21      ILE  21 -13.416  -0.137  -0.767
  190   2HG2  ILE  21          HG22      ILE  21 -14.564   0.182   0.526
  191   3HG2  ILE  21          HG23      ILE  21 -14.886   0.759  -1.101
  192   1HD1  ILE  21           HD1      ILE  21 -13.916  -3.753  -1.592
  193   2HD1  ILE  21           HD2      ILE  21 -15.637  -3.889  -1.247
  194   3HD1  ILE  21           HD3      ILE  21 -14.460  -4.611  -0.154
  195    NH1  ARG  22           NH1      ARG  22 -13.166   6.099   2.716
  196    NH2  ARG  22           NH2      ARG  22 -11.409   5.149   3.825
  197    H    ARG  22           HN       ARG  22 -16.672   1.150   0.483
  198    HA   ARG  22           HA       ARG  22 -16.488   0.274   3.255
  199   1HB   ARG  22           HB1      ARG  22 -17.111   2.815   3.599
  200   2HB   ARG  22           HB2      ARG  22 -16.956   2.930   1.849
  201   1HG   ARG  22           HG1      ARG  22 -14.660   1.982   2.012
  202   2HG   ARG  22           HG2      ARG  22 -14.818   1.929   3.760
  203   1HD   ARG  22           HD1      ARG  22 -15.325   4.447   3.639
  204   2HD   ARG  22           HD2      ARG  22 -14.754   4.372   1.973
  205    HE   ARG  22           HE       ARG  22 -12.858   3.177   3.819
  206   1HH1  ARG  22          HH11      ARG  22 -14.089   6.014   2.341
  207   2HH1  ARG  22          HH12      ARG  22 -12.668   6.962   2.625
  208   1HH2  ARG  22          HH21      ARG  22 -11.015   4.353   4.283
  209   2HH2  ARG  22          HH22      ARG  22 -10.881   5.996   3.753
  210    H    THR  23           HN       THR  23 -19.091   0.671   1.065
  211    HA   THR  23           HA       THR  23 -21.085   1.313   3.063
  212    HB   THR  23           HB       THR  23 -21.481  -0.039   0.320
  213    HG1  THR  23           HG1      THR  23 -20.276   2.015   0.518
  214   1HG2  THR  23          HG21      THR  23 -23.672   0.013   1.275
  215   2HG2  THR  23          HG22      THR  23 -23.583   1.659   0.664
  216   3HG2  THR  23          HG23      THR  23 -23.271   1.333   2.365
  217    H    HIS  24           HN       HIS  24 -19.579  -1.642   2.002
  218    HA   HIS  24           HA       HIS  24 -21.675  -3.408   2.953
  219   1HB   HIS  24           HB1      HIS  24 -19.632  -5.066   3.050
  220   2HB   HIS  24           HB2      HIS  24 -18.707  -3.743   2.348
  221    HD1  HIS  24           HD1      HIS  24 -21.716  -5.810   1.505
  222    HD2  HIS  24           HD2      HIS  24 -19.001  -3.423  -0.368
  223    HE1  HIS  24           HE1      HIS  24 -22.148  -6.077  -0.913
  224    H    THR  25           HN       THR  25 -20.092  -1.199   4.643
  225    HA   THR  25           HA       THR  25 -19.458  -2.913   6.977
  226    HB   THR  25           HB       THR  25 -18.528  -0.722   7.865
  227    HG1  THR  25           HG1      THR  25 -18.681   0.984   6.247
  228   1HG2  THR  25          HG21      THR  25 -16.874  -0.241   6.031
  229   2HG2  THR  25          HG22      THR  25 -17.856  -1.184   4.914
  230   3HG2  THR  25          HG23      THR  25 -17.036  -1.979   6.254
  231    H    ASP  26           HN       ASP  26 -20.256   0.142   7.894
  232    HA   ASP  26           HA       ASP  26 -23.125  -0.364   8.299
  233   1HB   ASP  26           HB1      ASP  26 -22.722   0.235  10.820
  234   2HB   ASP  26           HB2      ASP  26 -21.036  -0.176  10.515
  235    H    VAL  27           HN       VAL  27 -21.461   1.426   6.830
  236    HA   VAL  27           HA       VAL  27 -21.752   4.004   8.243
  237    HB   VAL  27           HB       VAL  27 -19.670   3.564   7.003
  238   1HG1  VAL  27          HG11      VAL  27 -19.661   3.168   4.594
  239   2HG1  VAL  27          HG12      VAL  27 -21.413   3.313   4.533
  240   3HG1  VAL  27          HG13      VAL  27 -20.674   1.964   5.370
  241   1HG2  VAL  27          HG21      VAL  27 -20.747   5.477   5.067
  242   2HG2  VAL  27          HG22      VAL  27 -19.543   5.724   6.325
  243   3HG2  VAL  27          HG23      VAL  27 -21.255   5.843   6.713
  244    NH1  ARG  28           NH2      ARG  28 -25.651  -2.415   4.363
  245    NH2  ARG  28           NH1      ARG  28 -26.440  -2.223   6.498
  246    H    ARG  28           HN       ARG  28 -24.194   2.907   7.781
  247    HA   ARG  28           HA       ARG  28 -25.299   4.476   5.484
  248   1HB   ARG  28           HB1      ARG  28 -27.293   2.886   5.828
  249   2HB   ARG  28           HB2      ARG  28 -26.262   1.971   6.922
  250   1HG   ARG  28           HG1      ARG  28 -24.585   1.810   5.034
  251   2HG   ARG  28           HG2      ARG  28 -25.806   2.509   3.979
  252   1HD   ARG  28           HD1      ARG  28 -26.304   0.271   3.657
  253   2HD   ARG  28           HD2      ARG  28 -27.301   0.566   5.080
  254    HE   ARG  28           HE       ARG  28 -24.712  -0.187   5.979
  255   1HH1  ARG  28          HH21      ARG  28 -25.211  -1.992   3.572
  256   2HH1  ARG  28          HH22      ARG  28 -25.926  -3.376   4.327
  257   1HH2  ARG  28          HH11      ARG  28 -26.592  -1.656   7.308
  258   2HH2  ARG  28          HH12      ARG  28 -26.729  -3.181   6.498
  259    HA   PRO  29           HA       PRO  29 -26.792   6.579   9.328
  260   1HB   PRO  29           HB1      PRO  29 -25.925   8.689   9.048
  261   2HB   PRO  29           HB2      PRO  29 -27.109   9.012   7.781
  262   1HG   PRO  29           HG1      PRO  29 -24.265   8.496   7.477
  263   2HG   PRO  29           HG2      PRO  29 -25.435   8.893   6.217
  264   1HD   PRO  29           HD1      PRO  29 -25.477   6.729   5.514
  265   2HD   PRO  29           HD2      PRO  29 -24.201   6.354   6.684
  266    OH   TYR  30           OH       TYR  30 -27.694  11.676   2.610
  267    H    TYR  30           HN       TYR  30 -28.021   7.179   6.033
  268    HA   TYR  30           HA       TYR  30 -30.606   8.040   6.668
  269   1HB   TYR  30           HB1      TYR  30 -31.254   7.018   4.445
  270   2HB   TYR  30           HB2      TYR  30 -29.714   6.165   4.418
  271    HD1  TYR  30           HD1      TYR  30 -31.019   9.649   4.915
  272    HD2  TYR  30           HD2      TYR  30 -27.932   7.210   3.301
  273    HE1  TYR  30           HE1      TYR  30 -29.928  11.638   3.991
  274    HE2  TYR  30           HE2      TYR  30 -26.838   9.202   2.385
  275    HH   TYR  30           HH       TYR  30 -27.154  11.402   1.864
  276    H    HIS  31           HN       HIS  31 -31.340   6.978   8.537
  277    HA   HIS  31           HA       HIS  31 -31.903   4.060   8.328
  278   1HB   HIS  31           HB1      HIS  31 -32.742   4.600  10.796
  279   2HB   HIS  31           HB2      HIS  31 -31.865   6.109  10.570
  280    HD1  HIS  31           HD1      HIS  31 -31.176   2.470  10.423
  281    HD2  HIS  31           HD2      HIS  31 -29.160   5.943  10.998
  282    HE1  HIS  31           HE1      HIS  31 -28.924   1.792  11.028
  283    H    CYS  32           HN       CYS  32 -33.967   3.235   8.198
  284    HA   CYS  32           HA       CYS  32 -36.077   4.948   7.286
  285   1HB   CYS  32           HB1      CYS  32 -35.898   2.078   8.238
  286   2HB   CYS  32           HB2      CYS  32 -36.240   2.668   6.634
  287    H    THR  33           HN       THR  33 -38.159   5.278   8.351
  288    HA   THR  33           HA       THR  33 -37.736   6.003  11.178
  289    HB   THR  33           HB       THR  33 -40.099   6.447   9.253
  290    HG1  THR  33           HG1      THR  33 -38.545   8.449  10.379
  291   1HG2  THR  33          HG21      THR  33 -41.140   6.784  11.371
  292   2HG2  THR  33          HG22      THR  33 -40.357   8.348  11.176
  293   3HG2  THR  33          HG23      THR  33 -39.605   7.107  12.173
  294    OH   TYR  34           OH       TYR  34 -44.509   6.018   9.900
  295    H    TYR  34           HN       TYR  34 -38.185   3.186  10.017
  296    HA   TYR  34           HA       TYR  34 -40.001   2.341  12.195
  297   1HB   TYR  34           HB1      TYR  34 -41.268   0.862  10.600
  298   2HB   TYR  34           HB2      TYR  34 -40.360   1.551   9.259
  299    HD1  TYR  34           HD2      TYR  34 -40.630   4.000   8.722
  300    HD2  TYR  34           HD1      TYR  34 -43.109   2.054  11.580
  301    HE1  TYR  34           HE2      TYR  34 -42.251   5.833   8.566
  302    HE2  TYR  34           HE1      TYR  34 -44.727   3.889  11.422
  303    HH   TYR  34           HH       TYR  34 -44.080   6.756   9.460
  304    H    CYS  35           HN       CYS  35 -38.422   0.951   9.335
  305    HA   CYS  35           HA       CYS  35 -37.647  -1.451  10.750
  306   1HB   CYS  35           HB1      CYS  35 -36.545  -2.044   8.695
  307   2HB   CYS  35           HB2      CYS  35 -36.393  -0.381   8.208
  308    H    ASN  36           HN       ASN  36 -35.348  -2.170  10.750
  309    HA   ASN  36           HA       ASN  36 -33.689  -0.007  11.929
  310   1HB   ASN  36           HB1      ASN  36 -32.948  -2.952  11.887
  311   2HB   ASN  36           HB2      ASN  36 -34.199  -2.397  12.996
  312   1HD2  ASN  36          HD21      ASN  36 -31.057  -3.144  13.080
  313   2HD2  ASN  36          HD22      ASN  36 -30.472  -1.986  14.174
  314    H    PHE  37           HN       PHE  37 -34.229  -0.978   8.995
  315    HA   PHE  37           HA       PHE  37 -31.494  -1.578   8.102
  316   1HB   PHE  37           HB1      PHE  37 -33.755  -0.824   6.240
  317   2HB   PHE  37           HB2      PHE  37 -33.853  -2.359   7.101
  318    HD1  PHE  37           HD2      PHE  37 -31.865  -3.976   6.896
  319    HD2  PHE  37           HD1      PHE  37 -32.353  -0.604   4.341
  320    HE1  PHE  37           HE2      PHE  37 -30.317  -4.978   5.273
  321    HE2  PHE  37           HE1      PHE  37 -30.803  -1.610   2.723
  322    HZ   PHE  37           HZ       PHE  37 -29.785  -3.796   3.187
  323    H    SER  38           HN       SER  38 -30.396  -0.246   6.532
  324    HA   SER  38           HA       SER  38 -31.314   2.561   6.403
  325   1HB   SER  38           HB1      SER  38 -28.532   1.765   7.402
  326   2HB   SER  38           HB2      SER  38 -29.840   2.367   8.434
  327    HG   SER  38           HG1      SER  38 -29.065   4.244   7.830
  328    H    PHE  39           HN       PHE  39 -29.742   3.865   5.050
  329    HA   PHE  39           HA       PHE  39 -28.535   2.182   2.909
  330   1HB   PHE  39           HB1      PHE  39 -29.714   3.446   1.233
  331   2HB   PHE  39           HB2      PHE  39 -30.175   4.689   2.397
  332    HD1  PHE  39           HD2      PHE  39 -31.847   4.149   4.191
  333    HD2  PHE  39           HD1      PHE  39 -31.008   1.408   1.036
  334    HE1  PHE  39           HE2      PHE  39 -33.865   2.871   4.758
  335    HE2  PHE  39           HE1      PHE  39 -33.039   0.147   1.599
  336    HZ   PHE  39           HZ       PHE  39 -34.466   0.877   3.462
  337    H    LYS  40           HN       LYS  40 -26.987   3.325   1.601
  338    HA   LYS  40           HA       LYS  40 -25.429   5.226   3.211
  339   1HB   LYS  40           HB1      LYS  40 -24.982   3.868   0.510
  340   2HB   LYS  40           HB2      LYS  40 -24.271   3.408   2.041
  341   1HG   LYS  40           HG1      LYS  40 -23.727   5.988   0.530
  342   2HG   LYS  40           HG2      LYS  40 -22.619   4.641   0.727
  343   1HD   LYS  40           HD1      LYS  40 -23.002   5.014   3.282
  344   2HD   LYS  40           HD2      LYS  40 -23.563   6.607   2.801
  345   1HE   LYS  40           HE1      LYS  40 -20.838   5.373   2.345
  346   2HE   LYS  40           HE2      LYS  40 -21.221   6.857   3.207
  347   1HZ   LYS  40           HZ1      LYS  40 -21.134   8.007   1.338
  348   2HZ   LYS  40           HZ2      LYS  40 -22.183   6.939   0.536
  349   3HZ   LYS  40           HZ3      LYS  40 -20.515   6.624   0.571
  350    H    THR  41           HN       THR  41 -27.733   5.348   0.702
  351    HA   THR  41           HA       THR  41 -27.063   8.230   0.266
  352    HB   THR  41           HB       THR  41 -27.447   7.984  -2.114
  353    HG1  THR  41           HG1      THR  41 -28.450   5.416  -1.403
  354   1HG2  THR  41          HG21      THR  41 -25.380   6.595  -1.162
  355   2HG2  THR  41          HG22      THR  41 -25.939   6.199  -2.785
  356   3HG2  THR  41          HG23      THR  41 -26.409   5.189  -1.420
  357    H    LYS  42           HN       LYS  42 -28.817   9.563  -0.322
  358    HA   LYS  42           HA       LYS  42 -31.204   8.954   1.144
  359   1HB   LYS  42           HB1      LYS  42 -30.824  11.165  -0.916
  360   2HB   LYS  42           HB2      LYS  42 -30.164  11.274   0.709
  361   1HG   LYS  42           HG1      LYS  42 -33.005  10.484   0.629
  362   2HG   LYS  42           HG2      LYS  42 -32.699  12.091  -0.016
  363   1HD   LYS  42           HD1      LYS  42 -31.450  12.669   2.057
  364   2HD   LYS  42           HD2      LYS  42 -31.801  11.068   2.701
  365   1HE   LYS  42           HE1      LYS  42 -33.472  12.534   3.609
  366   2HE   LYS  42           HE2      LYS  42 -34.272  11.608   2.347
  367   1HZ   LYS  42           HZ1      LYS  42 -33.028  14.157   1.629
  368   2HZ   LYS  42           HZ2      LYS  42 -34.502  14.186   2.473
  369   3HZ   LYS  42           HZ3      LYS  42 -34.398  13.395   0.973
  370    H    GLY  43           HN       GLY  43 -30.169   8.489  -2.097
  371   1HA   GLY  43           HA1      GLY  43 -31.258   7.482  -3.920
  372   2HA   GLY  43           HA2      GLY  43 -32.628   8.507  -3.497
  373    H    ASN  44           HN       ASN  44 -31.011   5.491  -2.558
  374    HA   ASN  44           HA       ASN  44 -33.180   3.790  -2.749
  375   1HB   ASN  44           HB1      ASN  44 -32.007   2.566  -0.729
  376   2HB   ASN  44           HB2      ASN  44 -30.814   3.857  -0.844
  377   1HD2  ASN  44          HD21      ASN  44 -31.713   3.761  -3.924
  378   2HD2  ASN  44          HD22      ASN  44 -30.702   2.543  -4.537
  379    H    LEU  45           HN       LEU  45 -32.255   5.684   0.112
  380    HA   LEU  45           HA       LEU  45 -34.241   4.795   1.868
  381   1HB   LEU  45           HB1      LEU  45 -33.082   7.607   1.477
  382   2HB   LEU  45           HB2      LEU  45 -32.450   6.369   2.540
  383    HG   LEU  45           HG       LEU  45 -33.649   7.830   3.983
  384   1HD1  LEU  45          HD11      LEU  45 -35.092   8.617   1.761
  385   2HD1  LEU  45          HD12      LEU  45 -35.457   9.093   3.411
  386   3HD1  LEU  45          HD13      LEU  45 -36.305   7.742   2.678
  387   1HD2  LEU  45          HD21      LEU  45 -34.167   5.331   4.172
  388   2HD2  LEU  45          HD22      LEU  45 -35.708   5.680   3.401
  389   3HD2  LEU  45          HD23      LEU  45 -35.312   6.420   4.947
  390    H    THR  46           HN       THR  46 -34.434   7.479  -0.456
  391    HA   THR  46           HA       THR  46 -37.109   8.233   0.080
  392    HB   THR  46           HB       THR  46 -35.642   8.251  -2.630
  393    HG1  THR  46           HG1      THR  46 -35.025   9.309  -0.350
  394   1HG2  THR  46          HG21      THR  46 -37.978   9.837  -1.423
  395   2HG2  THR  46          HG22      THR  46 -37.995   8.930  -2.933
  396   3HG2  THR  46          HG23      THR  46 -37.065  10.420  -2.811
  397    H    LYS  47           HN       LYS  47 -35.804   5.643  -1.901
  398    HA   LYS  47           HA       LYS  47 -38.349   4.982  -3.125
  399   1HB   LYS  47           HB1      LYS  47 -35.958   3.128  -2.722
  400   2HB   LYS  47           HB2      LYS  47 -35.990   4.366  -3.973
  401   1HG   LYS  47           HG1      LYS  47 -37.833   3.344  -5.087
  402   2HG   LYS  47           HG2      LYS  47 -38.219   2.340  -3.696
  403   1HD   LYS  47           HD1      LYS  47 -37.090   0.973  -5.386
  404   2HD   LYS  47           HD2      LYS  47 -36.042   1.149  -3.984
  405   1HE   LYS  47           HE1      LYS  47 -34.935   1.509  -6.269
  406   2HE   LYS  47           HE2      LYS  47 -34.681   2.781  -5.082
  407   1HZ   LYS  47           HZ1      LYS  47 -35.505   3.241  -7.549
  408   2HZ   LYS  47           HZ2      LYS  47 -35.920   4.237  -6.237
  409   3HZ   LYS  47           HZ3      LYS  47 -37.014   3.062  -6.789
  410    H    HIS  48           HN       HIS  48 -36.507   3.687  -0.378
  411    HA   HIS  48           HA       HIS  48 -38.323   1.555   0.206
  412   1HB   HIS  48           HB1      HIS  48 -36.451   3.153   2.025
  413   2HB   HIS  48           HB2      HIS  48 -36.067   1.641   1.209
  414    HD1  HIS  48           HD1      HIS  48 -37.497  -0.419   2.093
  415    HD2  HIS  48           HD2      HIS  48 -37.756   2.892   4.477
  416    HE1  HIS  48           HE1      HIS  48 -38.410  -1.218   4.218
  417    H    MET  49           HN       MET  49 -38.502   4.950   0.727
  418    HA   MET  49           HA       MET  49 -40.677   4.627   2.724
  419   1HB   MET  49           HB1      MET  49 -40.545   7.226   2.638
  420   2HB   MET  49           HB2      MET  49 -39.117   7.008   1.632
  421   1HG   MET  49           HG1      MET  49 -38.448   7.254   3.954
  422   2HG   MET  49           HG2      MET  49 -38.076   5.649   3.386
  423   1HE   MET  49           HE1      MET  49 -39.154   7.677   6.164
  424   2HE   MET  49           HE2      MET  49 -40.616   6.971   6.852
  425   3HE   MET  49           HE3      MET  49 -40.684   7.795   5.294
  426    H    LYS  50           HN       LYS  50 -40.097   5.932  -0.515
  427    HA   LYS  50           HA       LYS  50 -42.643   7.029  -1.011
  428   1HB   LYS  50           HB1      LYS  50 -40.943   5.452  -3.004
  429   2HB   LYS  50           HB2      LYS  50 -40.600   7.112  -2.537
  430   1HG   LYS  50           HG1      LYS  50 -42.800   7.830  -3.369
  431   2HG   LYS  50           HG2      LYS  50 -43.215   6.167  -3.763
  432   1HD   LYS  50           HD1      LYS  50 -42.450   7.336  -5.786
  433   2HD   LYS  50           HD2      LYS  50 -41.303   6.075  -5.350
  434   1HE   LYS  50           HE1      LYS  50 -39.683   7.589  -4.670
  435   2HE   LYS  50           HE2      LYS  50 -40.863   8.811  -4.214
  436   1HZ   LYS  50           HZ1      LYS  50 -40.810   9.707  -6.226
  437   2HZ   LYS  50           HZ2      LYS  50 -40.900   8.205  -7.013
  438   3HZ   LYS  50           HZ3      LYS  50 -39.399   8.800  -6.488
  439    H    SER  51           HN       SER  51 -41.527   3.689  -1.474
  440    HA   SER  51           HA       SER  51 -43.817   2.592  -2.646
  441   1HB   SER  51           HB1      SER  51 -42.349   1.154  -0.393
  442   2HB   SER  51           HB2      SER  51 -41.554   1.443  -1.953
  443    HG   SER  51           HG1      SER  51 -44.121   0.646  -2.267
  444    H    LYS  52           HN       LYS  52 -45.507   1.252  -1.638
  445    HA   LYS  52           HA       LYS  52 -46.862   2.780   0.433
  446   1HB   LYS  52           HB1      LYS  52 -47.539   0.051  -0.777
  447   2HB   LYS  52           HB2      LYS  52 -48.062   1.594  -1.441
  448   1HG   LYS  52           HG1      LYS  52 -48.807   1.761   1.236
  449   2HG   LYS  52           HG2      LYS  52 -49.148   0.085   0.822
  450   1HD   LYS  52           HD1      LYS  52 -50.402   0.871  -1.191
  451   2HD   LYS  52           HD2      LYS  52 -50.118   2.535  -0.691
  452   1HE   LYS  52           HE1      LYS  52 -52.103   0.635   0.284
  453   2HE   LYS  52           HE2      LYS  52 -52.015   2.373   0.535
  454   1HZ   LYS  52           HZ1      LYS  52 -51.858   1.236   2.622
  455   2HZ   LYS  52           HZ2      LYS  52 -50.367   1.975   2.281
  456   3HZ   LYS  52           HZ3      LYS  52 -50.553   0.300   2.070
  457    H    ALA  53           HN       ALA  53 -44.293   1.417   1.089
  458    HA   ALA  53           HA       ALA  53 -44.702  -0.858   2.726
  459   1HB   ALA  53           HB1      ALA  53 -42.718   1.455   2.981
  460   2HB   ALA  53           HB2      ALA  53 -42.441  -0.076   2.155
  461   3HB   ALA  53           HB3      ALA  53 -42.598  -0.037   3.908
  462    H    HIS  54           HN       HIS  54 -43.527   1.779   4.588
  463    HA   HIS  54           HA       HIS  54 -46.103   2.023   6.037
  464   1HB   HIS  54           HB1      HIS  54 -45.161   0.406   7.444
  465   2HB   HIS  54           HB2      HIS  54 -44.494   1.859   8.178
  466    HD1  HIS  54           HD1      HIS  54 -43.456  -1.203   6.667
  467    HD2  HIS  54           HD2      HIS  54 -41.723   2.465   7.194
  468    HE1  HIS  54           HE1      HIS  54 -41.046  -1.575   6.430
  469    H    SER  55           HN       SER  55 -46.115   4.129   5.166
  470    HA   SER  55           HA       SER  55 -44.689   6.039   6.876
  471   1HB   SER  55           HB1      SER  55 -44.399   6.454   3.877
  472   2HB   SER  55           HB2      SER  55 -43.239   5.418   4.731
  473    HG   SER  55           HG1      SER  55 -42.722   7.081   6.065
  474    H    LYS  56           HN       LYS  56 -47.443   5.269   6.331
  475    HA   LYS  56           HA       LYS  56 -48.752   7.180   4.658
  476   1HB   LYS  56           HB1      LYS  56 -50.761   6.612   6.155
  477   2HB   LYS  56           HB2      LYS  56 -49.668   5.632   7.124
  478   1HG   LYS  56           HG1      LYS  56 -49.096   4.288   5.129
  479   2HG   LYS  56           HG2      LYS  56 -50.177   5.275   4.150
  480   1HD   LYS  56           HD1      LYS  56 -51.963   4.062   4.814
  481   2HD   LYS  56           HD2      LYS  56 -51.570   4.339   6.507
  482   1HE   LYS  56           HE1      LYS  56 -50.008   2.468   6.502
  483   2HE   LYS  56           HE2      LYS  56 -50.226   2.244   4.770
  484   1HZ   LYS  56           HZ1      LYS  56 -52.732   2.212   6.058
  485   2HZ   LYS  56           HZ2      LYS  56 -51.693   1.106   6.821
  486   3HZ   LYS  56           HZ3      LYS  56 -51.980   0.988   5.152
  487    H    LYS  57           HN       LYS  57 -49.452   7.211   8.092
  488    HA   LYS  57           HA       LYS  57 -49.919   9.976   8.217
  489   1HB   LYS  57           HB1      LYS  57 -49.801   9.703  10.665
  490   2HB   LYS  57           HB2      LYS  57 -48.846   8.238  10.490
  491   1HG   LYS  57           HG1      LYS  57 -51.146   7.590  10.950
  492   2HG   LYS  57           HG2      LYS  57 -50.782   7.174   9.284
  493   1HD   LYS  57           HD1      LYS  57 -51.821   9.909   9.547
  494   2HD   LYS  57           HD2      LYS  57 -52.949   8.698  10.139
  495   1HE   LYS  57           HE1      LYS  57 -51.558   8.489   7.453
  496   2HE   LYS  57           HE2      LYS  57 -53.147   9.213   7.659
  497   1HZ   LYS  57           HZ1      LYS  57 -53.452   6.962   7.060
  498   2HZ   LYS  57           HZ2      LYS  57 -53.847   7.086   8.707
  499   3HZ   LYS  57                 LYS  57 -52.356   6.418   8.238
   
  Start of MODEL          16
 Raw file had 499 H/Q atoms
  Start of MODEL   16
    1   1H    LYS   1           HT1      LYS   1 -10.209  -5.570 -10.350
    2   2H    LYS   1           HT2      LYS   1  -9.059  -5.391  -9.113
    3   3H    LYS   1           HT3      LYS   1  -8.558  -5.471 -10.733
    4    HA   LYS   1           HA       LYS   1  -8.460  -3.213  -9.920
    5   1HB   LYS   1           HB1      LYS   1  -9.797  -2.190 -11.724
    6   2HB   LYS   1           HB2      LYS   1 -10.790  -3.635 -11.857
    7   1HG   LYS   1           HG1      LYS   1  -7.837  -4.010 -12.102
    8   2HG   LYS   1           HG2      LYS   1  -8.638  -3.199 -13.441
    9   1HD   LYS   1           HD1      LYS   1  -9.869  -5.712 -12.347
   10   2HD   LYS   1           HD2      LYS   1  -8.458  -5.849 -13.386
   11   1HE   LYS   1           HE1      LYS   1  -9.571  -4.640 -15.168
   12   2HE   LYS   1           HE2      LYS   1 -10.928  -4.250 -14.119
   13   1HZ   LYS   1           HZ1      LYS   1 -11.694  -6.036 -15.319
   14   2HZ   LYS   1           HZ2      LYS   1 -11.136  -6.786 -13.899
   15   3HZ   LYS   1           HZ3      LYS   1 -10.197  -6.836 -15.313
   16    OH   TYR   2           OH       TYR   2  -7.780   2.684  -8.874
   17    H    TYR   2           HN       TYR   2 -11.255  -1.986 -10.674
   18    HA   TYR   2           HA       TYR   2 -12.106  -1.813  -7.831
   19   1HB   TYR   2           HB1      TYR   2 -13.359   0.176  -8.579
   20   2HB   TYR   2           HB2      TYR   2 -13.005  -0.198 -10.260
   21    HD1  TYR   2           HD2      TYR   2 -11.328   0.576  -7.013
   22    HD2  TYR   2           HD1      TYR   2 -11.030   0.623 -11.255
   23    HE1  TYR   2           HE2      TYR   2  -9.241   1.854  -6.852
   24    HE2  TYR   2           HE1      TYR   2  -8.946   1.900 -11.096
   25    HH   TYR   2           HH       TYR   2  -7.062   2.065  -8.720
   26    H    ILE   3           HN       ILE   3 -12.817  -4.196  -8.648
   27    HA   ILE   3           HA       ILE   3 -15.718  -3.963  -9.356
   28    HB   ILE   3           HB       ILE   3 -13.935  -6.401  -9.765
   29   1HG1  ILE   3          HG11      ILE   3 -12.975  -4.590 -11.079
   30   2HG1  ILE   3          HG12      ILE   3 -14.561  -4.135 -11.691
   31   1HG2  ILE   3          HG21      ILE   3 -15.766  -7.218 -11.055
   32   2HG2  ILE   3          HG22      ILE   3 -16.411  -5.605 -11.338
   33   3HG2  ILE   3          HG23      ILE   3 -16.595  -6.361  -9.758
   34   1HD1  ILE   3           HD1      ILE   3 -13.518  -6.939 -12.090
   35   2HD1  ILE   3           HD2      ILE   3 -13.043  -5.646 -13.188
   36   3HD1  ILE   3           HD3      ILE   3 -14.742  -6.078 -13.019
   37    H    CYS   4           HN       CYS   4 -16.668  -4.003  -7.340
   38    HA   CYS   4           HA       CYS   4 -15.708  -5.398  -5.100
   39   1HB   CYS   4           HB1      CYS   4 -18.545  -4.762  -5.942
   40   2HB   CYS   4           HB2      CYS   4 -17.560  -3.884  -4.809
   41    H    GLU   5           HN       GLU   5 -15.197  -7.432  -4.979
   42    HA   GLU   5           HA       GLU   5 -16.082  -9.472  -6.727
   43   1HB   GLU   5           HB1      GLU   5 -15.134 -11.017  -4.924
   44   2HB   GLU   5           HB2      GLU   5 -14.899  -9.591  -3.919
   45   1HG   GLU   5           HG1      GLU   5 -13.437  -8.596  -5.626
   46   2HG   GLU   5           HG2      GLU   5 -13.718  -9.971  -6.692
   47    H    GLU   6           HN       GLU   6 -17.669  -8.069  -4.044
   48    HA   GLU   6           HA       GLU   6 -19.303 -10.428  -3.536
   49   1HB   GLU   6           HB1      GLU   6 -19.937  -7.677  -2.470
   50   2HB   GLU   6           HB2      GLU   6 -18.514  -8.512  -1.866
   51   1HG   GLU   6           HG1      GLU   6 -21.224  -9.854  -1.960
   52   2HG   GLU   6           HG2      GLU   6 -20.702  -8.908  -0.569
   53    H    CYS   7           HN       CYS   7 -20.196  -7.058  -4.265
   54    HA   CYS   7           HA       CYS   7 -22.723  -7.962  -5.414
   55   1HB   CYS   7           HB1      CYS   7 -23.207  -5.641  -5.687
   56   2HB   CYS   7           HB2      CYS   7 -21.526  -5.203  -5.732
   57    H    GLY   8           HN       GLY   8 -19.821  -6.335  -6.638
   58   1HA   GLY   8           HA1      GLY   8 -20.459  -7.428  -9.347
   59   2HA   GLY   8           HA2      GLY   8 -18.826  -7.123  -8.765
   60    H    ILE   9           HN       ILE   9 -20.047  -4.575  -7.496
   61    HA   ILE   9           HA       ILE   9 -20.914  -2.904  -9.610
   62    HB   ILE   9           HB       ILE   9 -20.940  -2.495  -7.026
   63   1HG1  ILE   9          HG11      ILE   9 -20.492  -0.535  -9.232
   64   2HG1  ILE   9          HG12      ILE   9 -20.439   0.080  -7.584
   65   1HG2  ILE   9          HG21      ILE   9 -19.024  -1.360  -6.095
   66   2HG2  ILE   9          HG22      ILE   9 -18.304  -1.090  -7.674
   67   3HG2  ILE   9          HG23      ILE   9 -18.331  -2.706  -6.977
   68   1HD1  ILE   9           HD1      ILE   9 -22.749  -0.020  -8.812
   69   2HD1  ILE   9           HD2      ILE   9 -22.661  -0.562  -7.139
   70   3HD1  ILE   9           HD3      ILE   9 -22.681  -1.741  -8.446
   71    NH1  ARG  10           NH1      ARG  10 -18.981  -1.146 -17.104
   72    NH2  ARG  10           NH2      ARG  10 -17.165  -2.240 -17.956
   73    H    ARG  10           HN       ARG  10 -19.878  -2.059 -11.270
   74    HA   ARG  10           HA       ARG  10 -16.906  -2.244 -11.321
   75   1HB   ARG  10           HB1      ARG  10 -18.904  -1.685 -13.568
   76   2HB   ARG  10           HB2      ARG  10 -18.282  -3.282 -13.173
   77   1HG   ARG  10           HG1      ARG  10 -15.929  -2.054 -13.423
   78   2HG   ARG  10           HG2      ARG  10 -16.866  -0.948 -14.420
   79   1HD   ARG  10           HD1      ARG  10 -16.691  -3.959 -14.787
   80   2HD   ARG  10           HD2      ARG  10 -15.930  -2.748 -15.815
   81    HE   ARG  10           HE       ARG  10 -18.833  -3.343 -15.706
   82   1HH1  ARG  10          HH11      ARG  10 -19.651  -1.043 -16.369
   83   2HH1  ARG  10          HH12      ARG  10 -19.017  -0.544 -17.901
   84   1HH2  ARG  10          HH21      ARG  10 -16.474  -2.956 -17.861
   85   2HH2  ARG  10          HH22      ARG  10 -17.172  -1.655 -18.768
   86    H    ABA  11           HN       ABU  11 -16.389  -0.371 -10.145
   87    HA   ABA  11           HA       ABU  11 -17.386   2.215 -11.254
   88   1HB   ABA  11           HB1      ABU  11 -15.935   3.021  -9.175
   89   2HB   ABA  11           HB2      ABU  11 -16.079   1.349  -8.678
   90   1HG   ABA  11           HG1      ABU  11 -18.336   3.294  -9.225
   91   2HG   ABA  11           HG2      ABU  11 -17.943   2.517  -7.693
   92   3HG   ABA  11           HG3      ABU  11 -18.590   1.562  -9.022
   93    H    LYS  12           HN       LYS  12 -16.219   3.006 -12.841
   94    HA   LYS  12           HA       LYS  12 -13.512   2.269 -13.357
   95   1HB   LYS  12           HB1      LYS  12 -13.650   3.927 -15.153
   96   2HB   LYS  12           HB2      LYS  12 -15.012   4.721 -14.371
   97   1HG   LYS  12           HG1      LYS  12 -16.413   2.753 -14.697
   98   2HG   LYS  12           HG2      LYS  12 -15.047   1.839 -15.325
   99   1HD   LYS  12           HD1      LYS  12 -14.849   3.541 -17.174
  100   2HD   LYS  12           HD2      LYS  12 -16.335   4.279 -16.589
  101   1HE   LYS  12           HE1      LYS  12 -15.964   1.491 -17.711
  102   2HE   LYS  12           HE2      LYS  12 -17.002   2.771 -18.327
  103   1HZ   LYS  12           HZ1      LYS  12 -18.075   2.579 -15.987
  104   2HZ   LYS  12           HZ2      LYS  12 -17.385   1.027 -16.003
  105   3HZ   LYS  12           HZ3      LYS  12 -18.490   1.477 -17.212
  106    H    LYS  13           HN       LYS  13 -14.448   3.869 -10.787
  107    HA   LYS  13           HA       LYS  13 -11.975   5.481 -10.736
  108   1HB   LYS  13           HB1      LYS  13 -13.479   7.284  -9.513
  109   2HB   LYS  13           HB2      LYS  13 -14.802   6.463 -10.339
  110   1HG   LYS  13           HG1      LYS  13 -13.673   6.811 -12.509
  111   2HG   LYS  13           HG2      LYS  13 -12.333   7.608 -11.692
  112   1HD   LYS  13           HD1      LYS  13 -13.591   9.501 -11.180
  113   2HD   LYS  13           HD2      LYS  13 -15.115   8.622 -11.212
  114   1HE   LYS  13           HE1      LYS  13 -13.458   8.987 -13.714
  115   2HE   LYS  13           HE2      LYS  13 -14.617  10.206 -13.199
  116   1HZ   LYS  13           HZ1      LYS  13 -15.606   8.670 -14.756
  117   2HZ   LYS  13           HZ2      LYS  13 -16.350   8.529 -13.235
  118   3HZ   LYS  13           HZ3      LYS  13 -15.231   7.357 -13.745
  119    HA   PRO  14           HA       PRO  14 -11.724   3.564  -6.686
  120   1HB   PRO  14           HB1      PRO  14  -9.536   4.095  -6.207
  121   2HB   PRO  14           HB2      PRO  14 -10.084   5.635  -5.544
  122   1HG   PRO  14           HG1      PRO  14  -8.557   5.260  -7.922
  123   2HG   PRO  14           HG2      PRO  14  -9.283   6.769  -7.367
  124   1HD   PRO  14           HD1      PRO  14 -10.720   6.659  -9.146
  125   2HD   PRO  14           HD2      PRO  14 -10.111   5.044  -9.566
  126    H    SER  15           HN       SER  15 -12.049   7.127  -6.692
  127    HA   SER  15           HA       SER  15 -13.029   7.535  -4.133
  128   1HB   SER  15           HB1      SER  15 -12.806   9.191  -6.216
  129   2HB   SER  15           HB2      SER  15 -14.046   9.542  -4.996
  130    HG   SER  15           HG1      SER  15 -14.393   8.934  -7.557
  131    H    MET  16           HN       MET  16 -14.925   6.445  -6.939
  132    HA   MET  16           HA       MET  16 -17.386   6.226  -5.439
  133   1HB   MET  16           HB1      MET  16 -18.103   4.845  -7.462
  134   2HB   MET  16           HB2      MET  16 -16.458   4.969  -8.061
  135   1HG   MET  16           HG1      MET  16 -16.607   7.261  -8.429
  136   2HG   MET  16           HG2      MET  16 -17.917   7.467  -7.301
  137   1HE   MET  16           HE1      MET  16 -20.995   6.948  -8.731
  138   2HE   MET  16           HE2      MET  16 -19.941   6.305  -7.472
  139   3HE   MET  16           HE3      MET  16 -20.408   5.290  -8.835
  140    H    LEU  17           HN       LEU  17 -15.095   3.726  -6.630
  141    HA   LEU  17           HA       LEU  17 -16.424   1.555  -5.392
  142   1HB   LEU  17           HB1      LEU  17 -13.394   1.802  -5.641
  143   2HB   LEU  17           HB2      LEU  17 -14.401   1.558  -7.050
  144    HG   LEU  17           HG       LEU  17 -13.383  -0.574  -6.081
  145   1HD1  LEU  17          HD11      LEU  17 -13.774   0.141  -3.670
  146   2HD1  LEU  17          HD12      LEU  17 -14.206  -1.515  -4.063
  147   3HD1  LEU  17          HD13      LEU  17 -15.463  -0.300  -3.912
  148   1HD2  LEU  17          HD21      LEU  17 -16.413  -0.641  -6.009
  149   2HD2  LEU  17          HD22      LEU  17 -15.314  -1.937  -6.455
  150   3HD2  LEU  17          HD23      LEU  17 -15.492  -0.539  -7.499
  151    H    LYS  18           HN       LYS  18 -13.629   3.398  -4.274
  152    HA   LYS  18           HA       LYS  18 -13.114   2.436  -1.803
  153   1HB   LYS  18           HB1      LYS  18 -12.995   4.975  -1.061
  154   2HB   LYS  18           HB2      LYS  18 -13.428   5.312  -2.732
  155   1HG   LYS  18           HG1      LYS  18 -11.483   4.009  -3.513
  156   2HG   LYS  18           HG2      LYS  18 -11.061   3.627  -1.849
  157   1HD   LYS  18           HD1      LYS  18 -11.225   6.343  -1.684
  158   2HD   LYS  18           HD2      LYS  18 -10.708   6.167  -3.355
  159   1HE   LYS  18           HE1      LYS  18  -8.657   6.211  -2.220
  160   2HE   LYS  18           HE2      LYS  18  -8.950   4.482  -2.358
  161   1HZ   LYS  18           HZ1      LYS  18  -9.010   6.198  -0.015
  162   2HZ   LYS  18           HZ2      LYS  18  -8.552   4.569  -0.164
  163   3HZ   LYS  18           HZ3      LYS  18 -10.196   4.985  -0.081
  164    H    LYS  19           HN       LYS  19 -15.747   4.755  -2.430
  165    HA   LYS  19           HA       LYS  19 -16.793   4.602   0.221
  166   1HB   LYS  19           HB1      LYS  19 -18.886   5.564  -0.927
  167   2HB   LYS  19           HB2      LYS  19 -18.023   5.404  -2.452
  168   1HG   LYS  19           HG1      LYS  19 -16.276   6.908  -1.691
  169   2HG   LYS  19           HG2      LYS  19 -16.952   6.945  -0.068
  170   1HD   LYS  19           HD1      LYS  19 -18.938   8.090  -0.845
  171   2HD   LYS  19           HD2      LYS  19 -18.472   7.863  -2.526
  172   1HE   LYS  19           HE1      LYS  19 -16.946   9.505  -0.477
  173   2HE   LYS  19           HE2      LYS  19 -17.943  10.157  -1.772
  174   1HZ   LYS  19           HZ1      LYS  19 -15.264   9.190  -1.859
  175   2HZ   LYS  19           HZ2      LYS  19 -16.113  10.130  -2.989
  176   3HZ   LYS  19           HZ3      LYS  19 -16.240   8.438  -3.028
  177    H    HIS  20           HN       HIS  20 -17.497   2.856  -2.760
  178    HA   HIS  20           HA       HIS  20 -19.821   1.486  -1.863
  179   1HB   HIS  20           HB1      HIS  20 -17.652   0.543  -3.778
  180   2HB   HIS  20           HB2      HIS  20 -19.069   1.474  -4.246
  181    HD1  HIS  20           HD1      HIS  20 -20.999  -0.007  -4.810
  182    HD2  HIS  20           HD2      HIS  20 -18.264  -2.014  -2.563
  183    HE1  HIS  20           HE1      HIS  20 -21.839  -2.303  -4.666
  184    H    ILE  21           HN       ILE  21 -16.411   0.393  -1.879
  185    HA   ILE  21           HA       ILE  21 -16.942  -2.083  -0.616
  186    HB   ILE  21           HB       ILE  21 -14.662  -0.962  -1.576
  187   1HG1  ILE  21          HG11      ILE  21 -14.837  -3.037   0.640
  188   2HG1  ILE  21          HG12      ILE  21 -13.392  -2.747  -0.319
  189   1HG2  ILE  21          HG21      ILE  21 -14.217  -0.844   1.443
  190   2HG2  ILE  21          HG22      ILE  21 -14.654   0.584   0.525
  191   3HG2  ILE  21          HG23      ILE  21 -13.159  -0.249   0.171
  192   1HD1  ILE  21           HD1      ILE  21 -15.492  -3.019  -2.194
  193   2HD1  ILE  21           HD2      ILE  21 -15.751  -4.289  -1.004
  194   3HD1  ILE  21           HD3      ILE  21 -14.216  -4.183  -1.857
  195    NH1  ARG  22           NH2      ARG  22 -13.158   6.063   4.532
  196    NH2  ARG  22           NH1      ARG  22 -11.754   5.146   2.981
  197    H    ARG  22           HN       ARG  22 -16.696   1.153   0.694
  198    HA   ARG  22           HA       ARG  22 -16.614   0.233   3.478
  199   1HB   ARG  22           HB1      ARG  22 -17.294   2.766   3.806
  200   2HB   ARG  22           HB2      ARG  22 -17.016   2.903   2.074
  201   1HG   ARG  22           HG1      ARG  22 -14.726   2.035   2.357
  202   2HG   ARG  22           HG2      ARG  22 -14.999   1.841   4.083
  203   1HD   ARG  22           HD1      ARG  22 -15.475   4.322   4.210
  204   2HD   ARG  22           HD2      ARG  22 -14.976   4.446   2.524
  205    HE   ARG  22           HE       ARG  22 -12.985   3.127   4.199
  206   1HH1  ARG  22          HH21      ARG  22 -13.943   5.962   5.144
  207   2HH1  ARG  22          HH22      ARG  22 -12.667   6.934   4.489
  208   1HH2  ARG  22          HH11      ARG  22 -11.486   4.356   2.429
  209   2HH2  ARG  22          HH12      ARG  22 -11.240   6.001   2.911
  210    H    THR  23           HN       THR  23 -19.017   0.593   1.102
  211    HA   THR  23           HA       THR  23 -21.200   1.174   2.916
  212    HB   THR  23           HB       THR  23 -21.285  -0.170   0.140
  213    HG1  THR  23           HG1      THR  23 -20.319   2.100   0.816
  214   1HG2  THR  23          HG21      THR  23 -23.473   1.432   0.276
  215   2HG2  THR  23          HG22      THR  23 -23.314   1.116   2.000
  216   3HG2  THR  23          HG23      THR  23 -23.552  -0.217   0.881
  217    H    HIS  24           HN       HIS  24 -19.292  -1.544   2.439
  218    HA   HIS  24           HA       HIS  24 -21.450  -3.470   3.054
  219   1HB   HIS  24           HB1      HIS  24 -19.309  -5.031   3.169
  220   2HB   HIS  24           HB2      HIS  24 -18.480  -3.654   2.448
  221    HD1  HIS  24           HD1      HIS  24 -21.441  -5.828   1.680
  222    HD2  HIS  24           HD2      HIS  24 -18.807  -3.395  -0.271
  223    HE1  HIS  24           HE1      HIS  24 -21.928  -6.111  -0.726
  224    H    THR  25           HN       THR  25 -20.103  -1.250   4.852
  225    HA   THR  25           HA       THR  25 -19.463  -3.000   7.173
  226    HB   THR  25           HB       THR  25 -18.668  -0.721   8.124
  227    HG1  THR  25           HG1      THR  25 -19.976  -0.084   5.828
  228   1HG2  THR  25          HG21      THR  25 -16.894  -0.355   6.214
  229   2HG2  THR  25          HG22      THR  25 -17.643  -1.751   5.444
  230   3HG2  THR  25          HG23      THR  25 -16.867  -1.922   7.016
  231    H    ASP  26           HN       ASP  26 -20.476   0.188   7.767
  232    HA   ASP  26           HA       ASP  26 -23.296  -0.418   8.157
  233   1HB   ASP  26           HB1      ASP  26 -23.167   0.027  10.664
  234   2HB   ASP  26           HB2      ASP  26 -21.411  -0.042  10.540
  235    H    VAL  27           HN       VAL  27 -21.562   1.450   6.820
  236    HA   VAL  27           HA       VAL  27 -22.169   3.996   8.227
  237    HB   VAL  27           HB       VAL  27 -19.868   3.669   7.409
  238   1HG1  VAL  27          HG11      VAL  27 -21.100   3.373   4.655
  239   2HG1  VAL  27          HG12      VAL  27 -20.431   2.056   5.602
  240   3HG1  VAL  27          HG13      VAL  27 -19.383   3.345   5.031
  241   1HG2  VAL  27          HG21      VAL  27 -21.482   5.874   6.842
  242   2HG2  VAL  27          HG22      VAL  27 -20.638   5.566   5.328
  243   3HG2  VAL  27          HG23      VAL  27 -19.722   5.846   6.804
  244    NH1  ARG  28           NH2      ARG  28 -25.526  -1.604   1.556
  245    NH2  ARG  28           NH1      ARG  28 -24.446  -2.702   3.244
  246    H    ARG  28           HN       ARG  28 -24.397   2.772   7.299
  247    HA   ARG  28           HA       ARG  28 -25.143   4.278   4.829
  248   1HB   ARG  28           HB1      ARG  28 -27.054   2.531   4.853
  249   2HB   ARG  28           HB2      ARG  28 -26.119   1.710   6.099
  250   1HG   ARG  28           HG1      ARG  28 -24.166   1.671   4.517
  251   2HG   ARG  28           HG2      ARG  28 -25.210   2.348   3.273
  252   1HD   ARG  28           HD1      ARG  28 -26.510   0.400   3.127
  253   2HD   ARG  28           HD2      ARG  28 -26.057  -0.152   4.734
  254    HE   ARG  28           HE       ARG  28 -23.675  -0.131   3.296
  255   1HH1  ARG  28          HH21      ARG  28 -25.828  -0.740   1.153
  256   2HH1  ARG  28          HH22      ARG  28 -25.735  -2.469   1.101
  257   1HH2  ARG  28          HH11      ARG  28 -23.938  -2.660   4.105
  258   2HH2  ARG  28          HH12      ARG  28 -24.636  -3.586   2.818
  259    HA   PRO  29           HA       PRO  29 -27.448   6.293   8.330
  260   1HB   PRO  29           HB1      PRO  29 -26.798   8.486   8.129
  261   2HB   PRO  29           HB2      PRO  29 -27.687   8.641   6.613
  262   1HG   PRO  29           HG1      PRO  29 -24.805   8.357   6.998
  263   2HG   PRO  29           HG2      PRO  29 -25.681   8.673   5.499
  264   1HD   PRO  29           HD1      PRO  29 -25.441   6.506   4.843
  265   2HD   PRO  29           HD2      PRO  29 -24.414   6.228   6.259
  266    OH   TYR  30           OH       TYR  30 -27.879  11.089   1.900
  267    H    TYR  30           HN       TYR  30 -28.136   5.927   4.929
  268    HA   TYR  30           HA       TYR  30 -30.937   6.754   5.216
  269   1HB   TYR  30           HB1      TYR  30 -31.114   5.968   2.840
  270   2HB   TYR  30           HB2      TYR  30 -29.507   5.267   2.951
  271    HD1  TYR  30           HD1      TYR  30 -31.253   8.536   3.513
  272    HD2  TYR  30           HD2      TYR  30 -27.682   6.583   2.273
  273    HE1  TYR  30           HE1      TYR  30 -30.277  10.702   2.907
  274    HE2  TYR  30           HE2      TYR  30 -26.706   8.749   1.677
  275    HH   TYR  30           HH       TYR  30 -27.164  10.927   1.279
  276    H    HIS  31           HN       HIS  31 -31.695   5.383   6.859
  277    HA   HIS  31           HA       HIS  31 -31.770   2.467   6.242
  278   1HB   HIS  31           HB1      HIS  31 -32.570   2.292   8.632
  279   2HB   HIS  31           HB2      HIS  31 -32.472   4.045   8.764
  280    HD1  HIS  31           HD1      HIS  31 -30.279   1.126   8.370
  281    HD2  HIS  31           HD2      HIS  31 -29.913   5.097   9.104
  282    HE1  HIS  31           HE1      HIS  31 -27.951   1.435   8.982
  283    H    CYS  32           HN       CYS  32 -33.670   1.380   5.878
  284    HA   CYS  32           HA       CYS  32 -35.940   2.876   4.980
  285   1HB   CYS  32           HB1      CYS  32 -35.446  -0.033   5.687
  286   2HB   CYS  32           HB2      CYS  32 -35.701   0.665   4.109
  287    H    THR  33           HN       THR  33 -38.012   3.087   5.933
  288    HA   THR  33           HA       THR  33 -37.868   3.342   8.857
  289    HB   THR  33           HB       THR  33 -40.382   3.849   7.205
  290    HG1  THR  33           HG1      THR  33 -38.779   5.971   7.366
  291   1HG2  THR  33          HG21      THR  33 -39.069   5.730   9.182
  292   2HG2  THR  33          HG22      THR  33 -39.892   4.318   9.837
  293   3HG2  THR  33          HG23      THR  33 -40.787   5.492   8.877
  294    OH   TYR  34           OH       TYR  34 -44.270   3.264   6.132
  295    H    TYR  34           HN       TYR  34 -38.087   0.705   7.269
  296    HA   TYR  34           HA       TYR  34 -40.106  -0.479   9.102
  297   1HB   TYR  34           HB1      TYR  34 -41.054  -1.831   7.237
  298   2HB   TYR  34           HB2      TYR  34 -39.950  -1.070   6.102
  299    HD1  TYR  34           HD2      TYR  34 -40.132   1.471   5.772
  300    HD2  TYR  34           HD1      TYR  34 -43.123  -0.793   7.778
  301    HE1  TYR  34           HE2      TYR  34 -41.755   3.265   5.377
  302    HE2  TYR  34           HE1      TYR  34 -44.746   1.001   7.375
  303    HH   TYR  34           HH       TYR  34 -44.981   3.167   6.769
  304    H    CYS  35           HN       CYS  35 -38.079  -1.557   6.387
  305    HA   CYS  35           HA       CYS  35 -37.350  -4.030   7.657
  306   1HB   CYS  35           HB1      CYS  35 -35.781  -4.267   5.820
  307   2HB   CYS  35           HB2      CYS  35 -35.767  -2.551   5.531
  308    H    ASN  36           HN       ASN  36 -34.739  -4.361   7.373
  309    HA   ASN  36           HA       ASN  36 -33.539  -2.483   9.368
  310   1HB   ASN  36           HB1      ASN  36 -32.696  -5.372   8.848
  311   2HB   ASN  36           HB2      ASN  36 -33.965  -4.981  10.007
  312   1HD2  ASN  36          HD21      ASN  36 -32.987  -2.679  11.224
  313   2HD2  ASN  36          HD22      ASN  36 -31.517  -3.010  12.004
  314    H    PHE  37           HN       PHE  37 -33.619  -3.022   6.244
  315    HA   PHE  37           HA       PHE  37 -30.751  -3.195   5.659
  316   1HB   PHE  37           HB1      PHE  37 -32.766  -2.349   3.599
  317   2HB   PHE  37           HB2      PHE  37 -32.955  -3.965   4.275
  318    HD1  PHE  37           HD2      PHE  37 -30.831  -5.476   4.299
  319    HD2  PHE  37           HD1      PHE  37 -31.186  -1.973   1.908
  320    HE1  PHE  37           HE2      PHE  37 -29.033  -6.290   2.836
  321    HE2  PHE  37           HE1      PHE  37 -29.387  -2.790   0.446
  322    HZ   PHE  37           HZ       PHE  37 -28.309  -4.948   0.910
  323    H    SER  38           HN       SER  38 -29.677  -1.530   4.375
  324    HA   SER  38           HA       SER  38 -30.886   1.152   4.545
  325   1HB   SER  38           HB1      SER  38 -28.120   0.641   5.700
  326   2HB   SER  38           HB2      SER  38 -29.566   0.599   6.708
  327    HG   SER  38           HG1      SER  38 -28.916   2.711   4.932
  328    H    PHE  39           HN       PHE  39 -29.334   2.801   3.604
  329    HA   PHE  39           HA       PHE  39 -27.650   1.588   1.469
  330   1HB   PHE  39           HB1      PHE  39 -28.738   2.959  -0.196
  331   2HB   PHE  39           HB2      PHE  39 -29.569   3.906   1.039
  332    HD1  PHE  39           HD2      PHE  39 -31.417   2.893   2.353
  333    HD2  PHE  39           HD1      PHE  39 -29.563   0.752  -0.827
  334    HE1  PHE  39           HE2      PHE  39 -33.244   1.257   2.386
  335    HE2  PHE  39           HE1      PHE  39 -31.411  -0.867  -0.807
  336    HZ   PHE  39           HZ       PHE  39 -33.247  -0.618   0.807
  337    H    LYS  40           HN       LYS  40 -26.081   3.019   0.580
  338    HA   LYS  40           HA       LYS  40 -25.078   4.928   2.581
  339   1HB   LYS  40           HB1      LYS  40 -23.995   3.806  -0.042
  340   2HB   LYS  40           HB2      LYS  40 -23.501   3.368   1.574
  341   1HG   LYS  40           HG1      LYS  40 -23.054   6.080   0.289
  342   2HG   LYS  40           HG2      LYS  40 -21.832   4.850   0.555
  343   1HD   LYS  40           HD1      LYS  40 -22.579   4.964   3.049
  344   2HD   LYS  40           HD2      LYS  40 -23.283   6.513   2.596
  345   1HE   LYS  40           HE1      LYS  40 -20.991   6.854   3.408
  346   2HE   LYS  40           HE2      LYS  40 -21.074   7.230   1.693
  347   1HZ   LYS  40           HZ1      LYS  40 -19.392   5.825   1.468
  348   2HZ   LYS  40           HZ2      LYS  40 -20.498   4.568   1.758
  349   3HZ   LYS  40           HZ3      LYS  40 -19.577   5.201   3.038
  350    H    THR  41           HN       THR  41 -26.852   4.985  -0.344
  351    HA   THR  41           HA       THR  41 -26.459   7.949  -0.503
  352    HB   THR  41           HB       THR  41 -26.442   7.816  -2.913
  353    HG1  THR  41           HG1      THR  41 -26.987   5.417  -3.554
  354   1HG2  THR  41          HG21      THR  41 -24.725   6.194  -3.438
  355   2HG2  THR  41          HG22      THR  41 -25.343   5.040  -2.259
  356   3HG2  THR  41          HG23      THR  41 -24.464   6.467  -1.719
  357    H    LYS  42           HN       LYS  42 -28.252   9.136  -1.337
  358    HA   LYS  42           HA       LYS  42 -30.747   8.193  -0.260
  359   1HB   LYS  42           HB1      LYS  42 -30.047  10.631  -1.972
  360   2HB   LYS  42           HB2      LYS  42 -30.143  10.603  -0.217
  361   1HG   LYS  42           HG1      LYS  42 -32.449  10.179  -2.154
  362   2HG   LYS  42           HG2      LYS  42 -32.202  11.566  -1.106
  363   1HD   LYS  42           HD1      LYS  42 -32.154   9.733   0.804
  364   2HD   LYS  42           HD2      LYS  42 -33.045   8.781  -0.377
  365   1HE   LYS  42           HE1      LYS  42 -34.676   9.971   0.946
  366   2HE   LYS  42           HE2      LYS  42 -34.625  10.749  -0.630
  367   1HZ   LYS  42           HZ1      LYS  42 -33.013  11.699   1.659
  368   2HZ   LYS  42           HZ2      LYS  42 -34.589  12.254   1.358
  369   3HZ   LYS  42           HZ3      LYS  42 -33.364  12.515   0.211
  370    H    GLY  43           HN       GLY  43 -29.189   7.943  -3.280
  371   1HA   GLY  43           HA1      GLY  43 -29.902   7.077  -5.345
  372   2HA   GLY  43           HA2      GLY  43 -31.455   7.847  -5.030
  373    H    ASN  44           HN       ASN  44 -29.519   4.999  -4.180
  374    HA   ASN  44           HA       ASN  44 -31.367   3.045  -4.794
  375   1HB   ASN  44           HB1      ASN  44 -30.269   1.745  -2.817
  376   2HB   ASN  44           HB2      ASN  44 -29.327   3.206  -2.535
  377   1HD2  ASN  44          HD21      ASN  44 -29.567   3.628  -5.642
  378   2HD2  ASN  44          HD22      ASN  44 -28.325   2.645  -6.252
  379    H    LEU  45           HN       LEU  45 -31.137   4.833  -1.739
  380    HA   LEU  45           HA       LEU  45 -33.072   3.511  -0.237
  381   1HB   LEU  45           HB1      LEU  45 -32.499   6.513  -0.496
  382   2HB   LEU  45           HB2      LEU  45 -31.776   5.410   0.653
  383    HG   LEU  45           HG       LEU  45 -33.418   6.573   1.914
  384   1HD1  LEU  45          HD11      LEU  45 -35.812   5.978   0.278
  385   2HD1  LEU  45          HD12      LEU  45 -34.694   7.101  -0.477
  386   3HD1  LEU  45          HD13      LEU  45 -35.358   7.456   1.110
  387   1HD2  LEU  45          HD21      LEU  45 -33.448   4.037   2.091
  388   2HD2  LEU  45          HD22      LEU  45 -34.882   4.053   1.076
  389   3HD2  LEU  45          HD23      LEU  45 -34.911   4.846   2.641
  390    H    THR  46           HN       THR  46 -33.626   6.158  -2.559
  391    HA   THR  46           HA       THR  46 -36.462   6.180  -2.320
  392    HB   THR  46           HB       THR  46 -34.877   6.776  -4.885
  393    HG1  THR  46           HG1      THR  46 -33.916   7.726  -3.061
  394   1HG2  THR  46          HG21      THR  46 -37.532   6.983  -4.639
  395   2HG2  THR  46          HG22      THR  46 -36.651   8.359  -5.295
  396   3HG2  THR  46          HG23      THR  46 -37.153   8.358  -3.607
  397    H    LYS  47           HN       LYS  47 -34.295   4.211  -4.270
  398    HA   LYS  47           HA       LYS  47 -36.317   3.070  -5.953
  399   1HB   LYS  47           HB1      LYS  47 -33.965   1.391  -5.139
  400   2HB   LYS  47           HB2      LYS  47 -33.592   2.938  -5.891
  401   1HG   LYS  47           HG1      LYS  47 -35.066   2.357  -7.802
  402   2HG   LYS  47           HG2      LYS  47 -35.419   0.805  -7.052
  403   1HD   LYS  47           HD1      LYS  47 -32.842   0.471  -7.015
  404   2HD   LYS  47           HD2      LYS  47 -32.795   1.791  -8.175
  405   1HE   LYS  47           HE1      LYS  47 -34.157  -0.895  -8.465
  406   2HE   LYS  47           HE2      LYS  47 -32.915  -0.194  -9.495
  407   1HZ   LYS  47           HZ1      LYS  47 -34.827   1.652  -9.667
  408   2HZ   LYS  47           HZ2      LYS  47 -35.771   0.254  -9.476
  409   3HZ   LYS  47           HZ3      LYS  47 -34.658   0.359 -10.753
  410    H    HIS  48           HN       HIS  48 -35.131   2.251  -2.746
  411    HA   HIS  48           HA       HIS  48 -36.497  -0.305  -2.633
  412   1HB   HIS  48           HB1      HIS  48 -35.453   1.549  -0.432
  413   2HB   HIS  48           HB2      HIS  48 -34.596   0.177  -1.128
  414    HD1  HIS  48           HD1      HIS  48 -36.154  -2.111  -0.830
  415    HD2  HIS  48           HD2      HIS  48 -36.787   0.882   1.882
  416    HE1  HIS  48           HE1      HIS  48 -37.268  -3.180   1.068
  417    H    MET  49           HN       MET  49 -37.327   2.997  -1.780
  418    HA   MET  49           HA       MET  49 -39.768   2.245  -0.388
  419   1HB   MET  49           HB1      MET  49 -40.238   4.710  -0.515
  420   2HB   MET  49           HB2      MET  49 -38.870   4.904  -1.606
  421   1HG   MET  49           HG1      MET  49 -38.331   5.433   0.772
  422   2HG   MET  49           HG2      MET  49 -37.322   4.197   0.069
  423   1HE   MET  49           HE1      MET  49 -40.569   3.805   3.197
  424   2HE   MET  49           HE2      MET  49 -41.044   3.280   1.580
  425   3HE   MET  49           HE3      MET  49 -40.454   4.923   1.836
  426    H    LYS  50           HN       LYS  50 -38.961   3.336  -3.656
  427    HA   LYS  50           HA       LYS  50 -41.517   3.805  -4.683
  428   1HB   LYS  50           HB1      LYS  50 -39.375   2.199  -6.154
  429   2HB   LYS  50           HB2      LYS  50 -39.241   3.936  -5.904
  430   1HG   LYS  50           HG1      LYS  50 -41.802   2.885  -7.050
  431   2HG   LYS  50           HG2      LYS  50 -40.393   2.937  -8.103
  432   1HD   LYS  50           HD1      LYS  50 -40.085   5.333  -7.593
  433   2HD   LYS  50           HD2      LYS  50 -41.469   5.288  -6.507
  434   1HE   LYS  50           HE1      LYS  50 -42.723   4.330  -8.634
  435   2HE   LYS  50           HE2      LYS  50 -41.409   5.108  -9.508
  436   1HZ   LYS  50           HZ1      LYS  50 -42.140   7.020  -7.772
  437   2HZ   LYS  50           HZ2      LYS  50 -43.632   6.278  -8.101
  438   3HZ   LYS  50           HZ3      LYS  50 -42.696   6.902  -9.373
  439    H    SER  51           HN       SER  51 -39.856   0.694  -4.318
  440    HA   SER  51           HA       SER  51 -41.761  -0.969  -5.537
  441   1HB   SER  51           HB1      SER  51 -39.432  -1.454  -4.232
  442   2HB   SER  51           HB2      SER  51 -40.646  -2.736  -4.398
  443    HG   SER  51           HG1      SER  51 -40.180  -0.989  -2.228
  444    H    LYS  52           HN       LYS  52 -43.641  -1.937  -4.879
  445    HA   LYS  52           HA       LYS  52 -45.212  -0.501  -2.922
  446   1HB   LYS  52           HB1      LYS  52 -46.258  -1.573  -4.895
  447   2HB   LYS  52           HB2      LYS  52 -46.920  -2.291  -3.431
  448   1HG   LYS  52           HG1      LYS  52 -45.389  -4.196  -3.633
  449   2HG   LYS  52           HG2      LYS  52 -44.623  -3.461  -5.037
  450   1HD   LYS  52           HD1      LYS  52 -46.936  -3.461  -6.132
  451   2HD   LYS  52           HD2      LYS  52 -47.464  -4.489  -4.804
  452   1HE   LYS  52           HE1      LYS  52 -46.816  -6.078  -6.395
  453   2HE   LYS  52           HE2      LYS  52 -45.350  -5.922  -5.437
  454   1HZ   LYS  52           HZ1      LYS  52 -45.093  -3.965  -7.288
  455   2HZ   LYS  52           HZ2      LYS  52 -45.831  -5.214  -8.171
  456   3HZ   LYS  52           HZ3      LYS  52 -44.364  -5.497  -7.363
  457    H    ALA  53           HN       ALA  53 -42.724  -2.262  -2.209
  458    HA   ALA  53           HA       ALA  53 -43.386  -4.429  -0.614
  459   1HB   ALA  53           HB1      ALA  53 -41.449  -2.179   0.131
  460   2HB   ALA  53           HB2      ALA  53 -41.059  -3.527  -0.932
  461   3HB   ALA  53           HB3      ALA  53 -41.406  -3.819   0.770
  462    H    HIS  54           HN       HIS  54 -42.822  -1.291   0.956
  463    HA   HIS  54           HA       HIS  54 -45.388  -1.521   2.357
  464   1HB   HIS  54           HB1      HIS  54 -44.245  -2.714   3.991
  465   2HB   HIS  54           HB2      HIS  54 -43.862  -1.092   4.543
  466    HD1  HIS  54           HD1      HIS  54 -42.324  -3.989   2.910
  467    HD2  HIS  54           HD2      HIS  54 -41.145  -0.258   4.092
  468    HE1  HIS  54           HE1      HIS  54 -39.877  -4.037   2.888
  469    H    SER  55           HN       SER  55 -45.926   0.420   1.430
  470    HA   SER  55           HA       SER  55 -44.584   2.781   2.663
  471   1HB   SER  55           HB1      SER  55 -43.706   2.894   0.429
  472   2HB   SER  55           HB2      SER  55 -45.177   3.878   0.286
  473    HG   SER  55           HG1      SER  55 -45.239   1.072  -0.011
  474    H    LYS  56           HN       LYS  56 -47.211   1.115   2.762
  475    HA   LYS  56           HA       LYS  56 -49.011   3.509   2.812
  476   1HB   LYS  56           HB1      LYS  56 -50.864   1.875   2.169
  477   2HB   LYS  56           HB2      LYS  56 -49.628   0.652   1.906
  478   1HG   LYS  56           HG1      LYS  56 -48.676   1.843   0.085
  479   2HG   LYS  56           HG2      LYS  56 -49.489   3.339   0.528
  480   1HD   LYS  56           HD1      LYS  56 -51.204   0.963  -0.072
  481   2HD   LYS  56           HD2      LYS  56 -50.422   1.763  -1.430
  482   1HE   LYS  56           HE1      LYS  56 -51.515   3.814  -1.012
  483   2HE   LYS  56           HE2      LYS  56 -51.895   3.379   0.650
  484   1HZ   LYS  56           HZ1      LYS  56 -53.394   1.653  -0.239
  485   2HZ   LYS  56           HZ2      LYS  56 -53.102   2.239  -1.807
  486   3HZ   LYS  56           HZ3      LYS  56 -53.862   3.231  -0.657
  487    H    LYS  57           HN       LYS  57 -47.974   0.531   4.268
  488    HA   LYS  57           HA       LYS  57 -49.997   0.116   6.161
  489   1HB   LYS  57           HB1      LYS  57 -47.027  -0.156   6.772
  490   2HB   LYS  57           HB2      LYS  57 -47.854  -1.275   5.695
  491   1HG   LYS  57           HG1      LYS  57 -49.121  -2.201   7.401
  492   2HG   LYS  57           HG2      LYS  57 -49.108  -0.722   8.354
  493   1HD   LYS  57           HD1      LYS  57 -47.694  -2.469   9.399
  494   2HD   LYS  57           HD2      LYS  57 -46.728  -1.084   8.905
  495   1HE   LYS  57           HE1      LYS  57 -45.786  -3.379   8.275
  496   2HE   LYS  57           HE2      LYS  57 -45.919  -2.219   6.959
  497   1HZ   LYS  57           HZ1      LYS  57 -46.872  -4.697   6.854
  498   2HZ   LYS  57           HZ2      LYS  57 -47.509  -3.406   5.952
  499   3HZ   LYS  57                 LYS  57 -48.252  -3.876   7.406
   
  Start of MODEL          17
 Raw file had 499 H/Q atoms
  Start of MODEL   17
    1   1H    LYS   1           HT1      LYS   1 -10.253  -2.933 -11.214
    2   2H    LYS   1           HT2      LYS   1  -9.880  -4.491 -10.653
    3   3H    LYS   1           HT3      LYS   1  -8.797  -3.675 -11.673
    4    HA   LYS   1           HA       LYS   1  -8.400  -3.779  -9.115
    5   1HB   LYS   1           HB1      LYS   1  -7.518  -1.282  -9.389
    6   2HB   LYS   1           HB2      LYS   1  -8.031  -1.481 -11.061
    7   1HG   LYS   1           HG1      LYS   1  -6.596  -3.449 -11.310
    8   2HG   LYS   1           HG2      LYS   1  -6.158  -3.381  -9.608
    9   1HD   LYS   1           HD1      LYS   1  -4.383  -2.361 -10.968
   10   2HD   LYS   1           HD2      LYS   1  -5.152  -1.137  -9.964
   11   1HE   LYS   1           HE1      LYS   1  -6.253  -1.620 -12.714
   12   2HE   LYS   1           HE2      LYS   1  -4.755  -0.712 -12.561
   13   1HZ   LYS   1           HZ1      LYS   1  -5.823   1.047 -11.770
   14   2HZ   LYS   1           HZ2      LYS   1  -6.771   0.126 -10.705
   15   3HZ   LYS   1           HZ3      LYS   1  -7.247   0.307 -12.325
   16    OH   TYR   2           OH       TYR   2  -7.238   2.675  -7.990
   17    H    TYR   2           HN       TYR   2 -11.278  -2.639 -10.157
   18    HA   TYR   2           HA       TYR   2 -11.832  -1.469  -7.501
   19   1HB   TYR   2           HB1      TYR   2 -12.937   0.521  -8.574
   20   2HB   TYR   2           HB2      TYR   2 -12.319   0.002 -10.137
   21    HD1  TYR   2           HD2      TYR   2 -11.301   1.112  -6.745
   22    HD2  TYR   2           HD1      TYR   2 -10.045   0.437 -10.750
   23    HE1  TYR   2           HE2      TYR   2  -9.200   2.289  -6.286
   24    HE2  TYR   2           HE1      TYR   2  -7.937   1.600 -10.287
   25    HH   TYR   2           HH       TYR   2  -6.519   2.059  -8.150
   26    H    ILE   3           HN       ILE   3 -12.696  -3.893  -8.489
   27    HA   ILE   3           HA       ILE   3 -15.591  -3.360  -9.043
   28    HB   ILE   3           HB       ILE   3 -14.110  -5.933  -9.709
   29   1HG1  ILE   3          HG11      ILE   3 -12.889  -4.218 -10.885
   30   2HG1  ILE   3          HG12      ILE   3 -14.374  -3.414 -11.377
   31   1HG2  ILE   3          HG21      ILE   3 -16.011  -6.324 -11.137
   32   2HG2  ILE   3          HG22      ILE   3 -16.484  -4.629 -11.109
   33   3HG2  ILE   3          HG23      ILE   3 -16.714  -5.629  -9.680
   34   1HD1  ILE   3           HD1      ILE   3 -14.938  -5.122 -12.906
   35   2HD1  ILE   3           HD2      ILE   3 -13.874  -6.292 -12.132
   36   3HD1  ILE   3           HD3      ILE   3 -13.192  -4.985 -13.095
   37    H    CYS   4           HN       CYS   4 -16.891  -3.920  -7.393
   38    HA   CYS   4           HA       CYS   4 -15.850  -5.350  -5.137
   39   1HB   CYS   4           HB1      CYS   4 -18.664  -4.589  -5.938
   40   2HB   CYS   4           HB2      CYS   4 -17.645  -3.768  -4.791
   41    H    GLU   5           HN       GLU   5 -15.248  -7.361  -5.466
   42    HA   GLU   5           HA       GLU   5 -16.403  -9.214  -7.243
   43   1HB   GLU   5           HB1      GLU   5 -15.310 -10.919  -5.574
   44   2HB   GLU   5           HB2      GLU   5 -14.758  -9.490  -4.708
   45   1HG   GLU   5           HG1      GLU   5 -13.637  -8.665  -6.739
   46   2HG   GLU   5           HG2      GLU   5 -14.238 -10.047  -7.651
   47    H    GLU   6           HN       GLU   6 -17.634  -8.058  -4.273
   48    HA   GLU   6           HA       GLU   6 -19.172 -10.447  -3.681
   49   1HB   GLU   6           HB1      GLU   6 -19.829  -7.730  -2.561
   50   2HB   GLU   6           HB2      GLU   6 -18.321  -8.490  -2.081
   51   1HG   GLU   6           HG1      GLU   6 -20.995  -9.911  -1.920
   52   2HG   GLU   6           HG2      GLU   6 -20.320  -8.995  -0.575
   53    H    CYS   7           HN       CYS   7 -20.185  -7.100  -4.411
   54    HA   CYS   7           HA       CYS   7 -22.828  -8.034  -5.234
   55   1HB   CYS   7           HB1      CYS   7 -23.229  -5.691  -5.803
   56   2HB   CYS   7           HB2      CYS   7 -21.527  -5.340  -5.775
   57    H    GLY   8           HN       GLY   8 -20.162  -6.401  -6.890
   58   1HA   GLY   8           HA1      GLY   8 -21.096  -7.616  -9.458
   59   2HA   GLY   8           HA2      GLY   8 -19.389  -7.487  -9.041
   60    H    ILE   9           HN       ILE   9 -20.194  -4.814  -7.715
   61    HA   ILE   9           HA       ILE   9 -21.010  -3.105  -9.861
   62    HB   ILE   9           HB       ILE   9 -20.921  -2.763  -7.185
   63   1HG1  ILE   9          HG11      ILE   9 -20.511  -0.594  -9.275
   64   2HG1  ILE   9          HG12      ILE   9 -20.965  -0.267  -7.608
   65   1HG2  ILE   9          HG21      ILE   9 -19.014  -1.485  -6.447
   66   2HG2  ILE   9          HG22      ILE   9 -18.456  -1.197  -8.087
   67   3HG2  ILE   9          HG23      ILE   9 -18.308  -2.797  -7.373
   68   1HD1  ILE   9           HD1      ILE   9 -23.124  -0.613  -8.181
   69   2HD1  ILE   9           HD2      ILE   9 -22.737  -2.294  -8.518
   70   3HD1  ILE   9           HD3      ILE   9 -22.650  -1.097  -9.805
   71    NH1  ARG  10           NH2      ARG  10 -16.701  -2.453 -17.262
   72    NH2  ARG  10           NH1      ARG  10 -18.867  -2.379 -16.541
   73    H    ARG  10           HN       ARG  10 -19.801  -1.783 -11.196
   74    HA   ARG  10           HA       ARG  10 -16.864  -2.320 -11.218
   75   1HB   ARG  10           HB1      ARG  10 -18.538  -1.693 -13.678
   76   2HB   ARG  10           HB2      ARG  10 -18.430  -3.337 -13.081
   77   1HG   ARG  10           HG1      ARG  10 -16.630  -3.398 -14.533
   78   2HG   ARG  10           HG2      ARG  10 -15.782  -2.759 -13.138
   79   1HD   ARG  10           HD1      ARG  10 -15.295  -1.422 -15.161
   80   2HD   ARG  10           HD2      ARG  10 -16.150  -0.451 -13.970
   81    HE   ARG  10           HE       ARG  10 -17.784  -0.174 -15.637
   82   1HH1  ARG  10          HH21      ARG  10 -15.763  -2.111 -17.192
   83   2HH1  ARG  10          HH22      ARG  10 -16.925  -3.167 -17.924
   84   1HH2  ARG  10          HH11      ARG  10 -19.554  -1.983 -15.932
   85   2HH2  ARG  10          HH12      ARG  10 -19.127  -3.093 -17.192
   86    H    ABA  11           HN       ABU  11 -16.048  -0.484 -10.393
   87    HA   ABA  11           HA       ABU  11 -16.820   2.073 -11.757
   88   1HB   ABA  11           HB1      ABU  11 -16.522   3.222  -9.611
   89   2HB   ABA  11           HB2      ABU  11 -15.975   1.747  -8.846
   90   1HG   ABA  11           HG1      ABU  11 -18.289   2.057  -8.223
   91   2HG   ABA  11           HG2      ABU  11 -18.234   0.733  -9.379
   92   3HG   ABA  11           HG3      ABU  11 -18.755   2.329  -9.898
   93    H    LYS  12           HN       LYS  12 -15.055   1.861 -13.158
   94    HA   LYS  12           HA       LYS  12 -12.419   1.244 -12.600
   95   1HB   LYS  12           HB1      LYS  12 -11.902   3.002 -14.440
   96   2HB   LYS  12           HB2      LYS  12 -13.629   3.333 -14.448
   97   1HG   LYS  12           HG1      LYS  12 -14.025   0.866 -14.837
   98   2HG   LYS  12           HG2      LYS  12 -12.287   0.667 -15.003
   99   1HD   LYS  12           HD1      LYS  12 -13.234   0.922 -17.231
  100   2HD   LYS  12           HD2      LYS  12 -12.312   2.371 -16.852
  101   1HE   LYS  12           HE1      LYS  12 -15.201   2.396 -16.094
  102   2HE   LYS  12           HE2      LYS  12 -14.835   2.471 -17.811
  103   1HZ   LYS  12           HZ1      LYS  12 -14.447   4.446 -15.764
  104   2HZ   LYS  12           HZ2      LYS  12 -14.592   4.633 -17.445
  105   3HZ   LYS  12           HZ3      LYS  12 -13.090   4.231 -16.761
  106    H    LYS  13           HN       LYS  13 -14.154   3.917 -11.344
  107    HA   LYS  13           HA       LYS  13 -11.653   5.378 -10.744
  108   1HB   LYS  13           HB1      LYS  13 -13.199   7.188  -9.982
  109   2HB   LYS  13           HB2      LYS  13 -14.568   6.116 -10.255
  110   1HG   LYS  13           HG1      LYS  13 -14.039   5.983 -12.641
  111   2HG   LYS  13           HG2      LYS  13 -12.588   6.948 -12.400
  112   1HD   LYS  13           HD1      LYS  13 -15.168   8.099 -11.428
  113   2HD   LYS  13           HD2      LYS  13 -14.912   8.056 -13.169
  114   1HE   LYS  13           HE1      LYS  13 -12.956   9.228 -11.165
  115   2HE   LYS  13           HE2      LYS  13 -14.077  10.173 -12.136
  116   1HZ   LYS  13           HZ1      LYS  13 -12.693  10.094 -13.834
  117   2HZ   LYS  13           HZ2      LYS  13 -12.615   8.398 -13.778
  118   3HZ   LYS  13           HZ3      LYS  13 -11.548   9.329 -12.841
  119    HA   PRO  14           HA       PRO  14 -11.557   3.722  -6.596
  120   1HB   PRO  14           HB1      PRO  14  -9.512   4.593  -5.977
  121   2HB   PRO  14           HB2      PRO  14 -10.350   6.025  -5.382
  122   1HG   PRO  14           HG1      PRO  14  -8.575   5.936  -7.590
  123   2HG   PRO  14           HG2      PRO  14  -9.651   7.274  -7.183
  124   1HD   PRO  14           HD1      PRO  14 -10.785   6.829  -9.126
  125   2HD   PRO  14           HD2      PRO  14  -9.877   5.319  -9.351
  126    H    SER  15           HN       SER  15 -11.838   7.241  -6.133
  127    HA   SER  15           HA       SER  15 -13.380   7.515  -3.953
  128   1HB   SER  15           HB1      SER  15 -12.904   9.478  -5.347
  129   2HB   SER  15           HB2      SER  15 -14.673   9.384  -5.225
  130    HG   SER  15           HG1      SER  15 -14.709   8.265  -7.176
  131    H    MET  16           HN       MET  16 -14.728   6.448  -7.061
  132    HA   MET  16           HA       MET  16 -17.433   6.281  -6.063
  133   1HB   MET  16           HB1      MET  16 -17.600   4.654  -8.128
  134   2HB   MET  16           HB2      MET  16 -15.939   5.144  -8.450
  135   1HG   MET  16           HG1      MET  16 -16.896   6.844  -9.582
  136   2HG   MET  16           HG2      MET  16 -17.054   7.557  -7.999
  137   1HE   MET  16           HE1      MET  16 -18.536   8.840 -10.124
  138   2HE   MET  16           HE2      MET  16 -20.090   8.196 -10.655
  139   3HE   MET  16           HE3      MET  16 -18.593   7.401 -11.143
  140    H    LEU  17           HN       LEU  17 -15.056   3.727  -6.850
  141    HA   LEU  17           HA       LEU  17 -16.545   1.621  -5.646
  142   1HB   LEU  17           HB1      LEU  17 -13.507   1.762  -5.685
  143   2HB   LEU  17           HB2      LEU  17 -14.397   1.590  -7.173
  144    HG   LEU  17           HG       LEU  17 -13.633  -0.607  -6.265
  145   1HD1  LEU  17          HD11      LEU  17 -14.396  -1.464  -4.200
  146   2HD1  LEU  17          HD12      LEU  17 -15.626  -0.223  -4.030
  147   3HD1  LEU  17          HD13      LEU  17 -13.930   0.193  -3.844
  148   1HD2  LEU  17          HD21      LEU  17 -15.562  -1.765  -6.854
  149   2HD2  LEU  17          HD22      LEU  17 -15.919  -0.185  -7.534
  150   3HD2  LEU  17          HD23      LEU  17 -16.633  -0.662  -6.003
  151    H    LYS  18           HN       LYS  18 -13.773   3.458  -4.460
  152    HA   LYS  18           HA       LYS  18 -13.341   2.602  -1.943
  153   1HB   LYS  18           HB1      LYS  18 -13.884   5.560  -2.253
  154   2HB   LYS  18           HB2      LYS  18 -12.625   4.834  -3.243
  155   1HG   LYS  18           HG1      LYS  18 -12.630   4.164  -0.334
  156   2HG   LYS  18           HG2      LYS  18 -12.127   5.790  -0.783
  157   1HD   LYS  18           HD1      LYS  18 -10.472   4.827  -2.370
  158   2HD   LYS  18           HD2      LYS  18 -10.963   3.207  -1.884
  159   1HE   LYS  18           HE1      LYS  18 -10.052   5.234   0.157
  160   2HE   LYS  18           HE2      LYS  18  -8.888   4.250  -0.721
  161   1HZ   LYS  18           HZ1      LYS  18 -10.224   2.283   0.033
  162   2HZ   LYS  18           HZ2      LYS  18 -11.049   3.335   1.080
  163   3HZ   LYS  18           HZ3      LYS  18  -9.375   3.106   1.251
  164    H    LYS  19           HN       LYS  19 -16.016   4.791  -2.794
  165    HA   LYS  19           HA       LYS  19 -17.099   4.763  -0.134
  166   1HB   LYS  19           HB1      LYS  19 -19.221   5.505  -1.660
  167   2HB   LYS  19           HB2      LYS  19 -17.938   5.753  -2.838
  168   1HG   LYS  19           HG1      LYS  19 -16.708   7.047  -0.982
  169   2HG   LYS  19           HG2      LYS  19 -18.241   7.038  -0.117
  170   1HD   LYS  19           HD1      LYS  19 -19.344   8.149  -2.010
  171   2HD   LYS  19           HD2      LYS  19 -17.847   8.101  -2.934
  172   1HE   LYS  19           HE1      LYS  19 -16.777   9.409  -1.010
  173   2HE   LYS  19           HE2      LYS  19 -18.406   9.655  -0.393
  174   1HZ   LYS  19           HZ1      LYS  19 -17.203  10.658  -2.883
  175   2HZ   LYS  19           HZ2      LYS  19 -18.042  11.510  -1.678
  176   3HZ   LYS  19           HZ3      LYS  19 -18.889  10.500  -2.749
  177    H    HIS  20           HN       HIS  20 -17.804   3.008  -3.112
  178    HA   HIS  20           HA       HIS  20 -20.142   1.669  -2.266
  179   1HB   HIS  20           HB1      HIS  20 -17.884   0.667  -4.051
  180   2HB   HIS  20           HB2      HIS  20 -19.313   1.534  -4.606
  181    HD1  HIS  20           HD1      HIS  20 -21.182  -0.032  -5.176
  182    HD2  HIS  20           HD2      HIS  20 -18.497  -1.862  -2.726
  183    HE1  HIS  20           HE1      HIS  20 -21.980  -2.336  -4.936
  184    H    ILE  21           HN       ILE  21 -16.739   0.642  -2.022
  185    HA   ILE  21           HA       ILE  21 -17.355  -1.790  -0.665
  186    HB   ILE  21           HB       ILE  21 -15.089  -0.863  -1.778
  187   1HG1  ILE  21          HG11      ILE  21 -15.498  -2.837   0.459
  188   2HG1  ILE  21          HG12      ILE  21 -13.880  -2.554  -0.169
  189   1HG2  ILE  21          HG21      ILE  21 -14.488  -0.546   1.199
  190   2HG2  ILE  21          HG22      ILE  21 -14.941   0.833   0.219
  191   3HG2  ILE  21          HG23      ILE  21 -13.489  -0.063  -0.165
  192   1HD1  ILE  21           HD1      ILE  21 -16.033  -2.963  -2.189
  193   2HD1  ILE  21           HD2      ILE  21 -15.554  -4.374  -1.254
  194   3HD1  ILE  21           HD3      ILE  21 -14.359  -3.505  -2.211
  195    NH1  ARG  22           NH1      ARG  22 -17.310   6.736   3.459
  196    NH2  ARG  22           NH2      ARG  22 -15.481   7.201   4.746
  197    H    ARG  22           HN       ARG  22 -16.978   1.484   0.476
  198    HA   ARG  22           HA       ARG  22 -16.677   0.755   3.271
  199   1HB   ARG  22           HB1      ARG  22 -17.554   3.232   3.523
  200   2HB   ARG  22           HB2      ARG  22 -17.439   3.285   1.766
  201   1HG   ARG  22           HG1      ARG  22 -15.058   2.605   1.908
  202   2HG   ARG  22           HG2      ARG  22 -15.176   2.565   3.662
  203   1HD   ARG  22           HD1      ARG  22 -15.705   5.024   1.955
  204   2HD   ARG  22           HD2      ARG  22 -14.209   4.716   2.837
  205    HE   ARG  22           HE       ARG  22 -16.034   4.531   4.839
  206   1HH1  ARG  22          HH11      ARG  22 -17.860   6.064   2.964
  207   2HH1  ARG  22          HH12      ARG  22 -17.587   7.697   3.472
  208   1HH2  ARG  22          HH21      ARG  22 -14.660   6.878   5.217
  209   2HH2  ARG  22          HH22      ARG  22 -15.727   8.171   4.781
  210    H    THR  23           HN       THR  23 -19.387   0.944   1.127
  211    HA   THR  23           HA       THR  23 -21.352   1.354   3.215
  212    HB   THR  23           HB       THR  23 -21.754   0.029   0.461
  213    HG1  THR  23           HG1      THR  23 -22.255   2.291  -0.012
  214   1HG2  THR  23          HG21      THR  23 -23.926   1.641   0.934
  215   2HG2  THR  23          HG22      THR  23 -23.550   1.219   2.600
  216   3HG2  THR  23          HG23      THR  23 -23.923  -0.044   1.435
  217    H    HIS  24           HN       HIS  24 -19.534  -1.384   2.196
  218    HA   HIS  24           HA       HIS  24 -21.483  -3.362   3.138
  219   1HB   HIS  24           HB1      HIS  24 -19.328  -4.870   3.011
  220   2HB   HIS  24           HB2      HIS  24 -18.557  -3.459   2.294
  221    HD1  HIS  24           HD1      HIS  24 -21.801  -5.269   1.640
  222    HD2  HIS  24           HD2      HIS  24 -18.727  -3.561  -0.415
  223    HE1  HIS  24           HE1      HIS  24 -22.345  -5.570  -0.751
  224    H    THR  25           HN       THR  25 -19.957  -1.112   4.817
  225    HA   THR  25           HA       THR  25 -19.000  -2.874   7.003
  226    HB   THR  25           HB       THR  25 -18.280  -0.589   7.966
  227    HG1  THR  25           HG1      THR  25 -19.933   0.039   5.909
  228   1HG2  THR  25          HG21      THR  25 -16.661  -1.750   6.431
  229   2HG2  THR  25          HG22      THR  25 -16.662  -0.020   6.100
  230   3HG2  THR  25          HG23      THR  25 -17.541  -1.119   5.041
  231    H    ASP  26           HN       ASP  26 -20.117   0.150   7.936
  232    HA   ASP  26           HA       ASP  26 -22.835  -0.697   8.608
  233   1HB   ASP  26           HB1      ASP  26 -22.329  -0.156  11.110
  234   2HB   ASP  26           HB2      ASP  26 -20.629  -0.329  10.684
  235    H    VAL  27           HN       VAL  27 -21.459   1.316   7.107
  236    HA   VAL  27           HA       VAL  27 -22.003   3.789   8.641
  237    HB   VAL  27           HB       VAL  27 -19.887   3.645   7.389
  238   1HG1  VAL  27          HG11      VAL  27 -19.858   3.365   4.952
  239   2HG1  VAL  27          HG12      VAL  27 -21.613   3.243   4.928
  240   3HG1  VAL  27          HG13      VAL  27 -20.657   1.995   5.704
  241   1HG2  VAL  27          HG21      VAL  27 -20.017   5.825   6.770
  242   2HG2  VAL  27          HG22      VAL  27 -21.728   5.728   7.176
  243   3HG2  VAL  27          HG23      VAL  27 -21.200   5.472   5.516
  244    NH1  ARG  28           NH2      ARG  28 -26.553  -2.545   4.118
  245    NH2  ARG  28           NH1      ARG  28 -24.609  -2.584   2.919
  246    H    ARG  28           HN       ARG  28 -24.292   2.420   8.129
  247    HA   ARG  28           HA       ARG  28 -25.593   3.936   5.903
  248   1HB   ARG  28           HB1      ARG  28 -27.338   2.054   6.140
  249   2HB   ARG  28           HB2      ARG  28 -26.185   1.250   7.198
  250   1HG   ARG  28           HG1      ARG  28 -24.540   1.772   5.142
  251   2HG   ARG  28           HG2      ARG  28 -26.054   1.711   4.251
  252   1HD   ARG  28           HD1      ARG  28 -26.464  -0.496   5.619
  253   2HD   ARG  28           HD2      ARG  28 -24.717  -0.463   5.844
  254    HE   ARG  28           HE       ARG  28 -25.102  -0.072   3.104
  255   1HH1  ARG  28          HH21      ARG  28 -27.218  -2.024   4.653
  256   2HH1  ARG  28          HH22      ARG  28 -26.692  -3.522   3.962
  257   1HH2  ARG  28          HH11      ARG  28 -23.817  -2.093   2.554
  258   2HH2  ARG  28          HH12      ARG  28 -24.714  -3.562   2.742
  259    HA   PRO  29           HA       PRO  29 -27.318   5.598   9.886
  260   1HB   PRO  29           HB1      PRO  29 -26.739   7.816   9.760
  261   2HB   PRO  29           HB2      PRO  29 -27.900   8.063   8.457
  262   1HG   PRO  29           HG1      PRO  29 -24.999   7.884   8.267
  263   2HG   PRO  29           HG2      PRO  29 -26.152   8.253   6.984
  264   1HD   PRO  29           HD1      PRO  29 -25.948   6.151   6.134
  265   2HD   PRO  29           HD2      PRO  29 -24.676   5.829   7.322
  266    OH   TYR  30           OH       TYR  30 -29.380  11.022   3.869
  267    H    TYR  30           HN       TYR  30 -28.548   5.652   6.598
  268    HA   TYR  30           HA       TYR  30 -31.266   6.326   7.371
  269   1HB   TYR  30           HB1      TYR  30 -31.788   5.502   5.015
  270   2HB   TYR  30           HB2      TYR  30 -30.105   5.014   4.864
  271    HD1  TYR  30           HD1      TYR  30 -32.178   8.003   5.751
  272    HD2  TYR  30           HD2      TYR  30 -28.545   6.576   4.058
  273    HE1  TYR  30           HE1      TYR  30 -31.575  10.292   5.115
  274    HE2  TYR  30           HE2      TYR  30 -27.943   8.867   3.422
  275    HH   TYR  30           HH       TYR  30 -30.110  11.599   4.108
  276    H    HIS  31           HN       HIS  31 -32.101   4.962   8.883
  277    HA   HIS  31           HA       HIS  31 -32.117   2.029   8.249
  278   1HB   HIS  31           HB1      HIS  31 -32.621   1.753  10.693
  279   2HB   HIS  31           HB2      HIS  31 -32.607   3.502  10.888
  280    HD1  HIS  31           HD1      HIS  31 -30.274   0.798   9.940
  281    HD2  HIS  31           HD2      HIS  31 -30.126   4.607  11.316
  282    HE1  HIS  31           HE1      HIS  31 -27.927   1.196  10.412
  283    H    CYS  32           HN       CYS  32 -34.049   0.997   7.921
  284    HA   CYS  32           HA       CYS  32 -36.389   2.522   7.376
  285   1HB   CYS  32           HB1      CYS  32 -35.893  -0.413   7.969
  286   2HB   CYS  32           HB2      CYS  32 -36.293   0.321   6.438
  287    H    THR  33           HN       THR  33 -38.277   2.872   8.573
  288    HA   THR  33           HA       THR  33 -37.828   3.040  11.456
  289    HB   THR  33           HB       THR  33 -40.492   3.575  10.051
  290    HG1  THR  33           HG1      THR  33 -39.441   5.004   8.931
  291   1HG2  THR  33          HG21      THR  33 -40.698   5.279  11.769
  292   2HG2  THR  33          HG22      THR  33 -38.977   5.218  12.133
  293   3HG2  THR  33          HG23      THR  33 -40.030   3.899  12.636
  294    OH   TYR  34           OH       TYR  34 -44.482   3.057   9.330
  295    H    TYR  34           HN       TYR  34 -38.322   0.432   9.814
  296    HA   TYR  34           HA       TYR  34 -40.074  -0.777  11.897
  297   1HB   TYR  34           HB1      TYR  34 -41.271  -2.090  10.171
  298   2HB   TYR  34           HB2      TYR  34 -40.286  -1.378   8.903
  299    HD1  TYR  34           HD2      TYR  34 -40.416   1.202   8.619
  300    HD2  TYR  34           HD1      TYR  34 -43.269  -1.031  10.848
  301    HE1  TYR  34           HE2      TYR  34 -42.037   3.023   8.373
  302    HE2  TYR  34           HE1      TYR  34 -44.888   0.793  10.598
  303    HH   TYR  34           HH       TYR  34 -44.073   3.864   9.649
  304    H    CYS  35           HN       CYS  35 -38.451  -1.868   8.932
  305    HA   CYS  35           HA       CYS  35 -37.561  -4.339  10.056
  306   1HB   CYS  35           HB1      CYS  35 -36.151  -4.488   8.066
  307   2HB   CYS  35           HB2      CYS  35 -36.234  -2.770   7.817
  308    H    ASN  36           HN       ASN  36 -34.917  -4.519   9.374
  309    HA   ASN  36           HA       ASN  36 -33.572  -2.700  11.332
  310   1HB   ASN  36           HB1      ASN  36 -32.680  -5.553  10.769
  311   2HB   ASN  36           HB2      ASN  36 -33.962  -5.248  11.939
  312   1HD2  ASN  36          HD21      ASN  36 -32.625  -5.879  13.760
  313   2HD2  ASN  36          HD22      ASN  36 -31.334  -4.916  14.295
  314    H    PHE  37           HN       PHE  37 -33.892  -3.317   8.205
  315    HA   PHE  37           HA       PHE  37 -31.089  -3.504   7.401
  316   1HB   PHE  37           HB1      PHE  37 -33.318  -2.566   5.581
  317   2HB   PHE  37           HB2      PHE  37 -33.310  -4.242   6.125
  318    HD1  PHE  37           HD2      PHE  37 -31.184  -5.627   5.723
  319    HD2  PHE  37           HD1      PHE  37 -31.857  -1.863   3.848
  320    HE1  PHE  37           HE2      PHE  37 -29.487  -6.161   4.030
  321    HE2  PHE  37           HE1      PHE  37 -30.160  -2.402   2.159
  322    HZ   PHE  37           HZ       PHE  37 -28.974  -4.552   2.248
  323    H    SER  38           HN       SER  38 -30.059  -1.837   6.064
  324    HA   SER  38           HA       SER  38 -31.123   0.888   6.468
  325   1HB   SER  38           HB1      SER  38 -28.257   0.213   7.238
  326   2HB   SER  38           HB2      SER  38 -29.568   0.177   8.422
  327    HG   SER  38           HG1      SER  38 -29.503   2.267   8.431
  328    H    PHE  39           HN       PHE  39 -29.878   2.520   5.271
  329    HA   PHE  39           HA       PHE  39 -28.357   1.361   2.981
  330   1HB   PHE  39           HB1      PHE  39 -29.691   2.595   1.434
  331   2HB   PHE  39           HB2      PHE  39 -30.311   3.659   2.696
  332    HD1  PHE  39           HD2      PHE  39 -31.862   2.674   4.459
  333    HD2  PHE  39           HD1      PHE  39 -30.838   0.558   0.910
  334    HE1  PHE  39           HE2      PHE  39 -33.799   1.200   4.776
  335    HE2  PHE  39           HE1      PHE  39 -32.787  -0.903   1.224
  336    HZ   PHE  39           HZ       PHE  39 -34.268  -0.582   3.158
  337    H    LYS  40           HN       LYS  40 -27.052   2.944   1.843
  338    HA   LYS  40           HA       LYS  40 -25.819   4.831   3.735
  339   1HB   LYS  40           HB1      LYS  40 -25.139   3.873   0.913
  340   2HB   LYS  40           HB2      LYS  40 -24.353   3.398   2.403
  341   1HG   LYS  40           HG1      LYS  40 -24.271   6.178   1.169
  342   2HG   LYS  40           HG2      LYS  40 -22.954   5.019   1.206
  343   1HD   LYS  40           HD1      LYS  40 -23.240   5.035   3.764
  344   2HD   LYS  40           HD2      LYS  40 -24.191   6.494   3.530
  345   1HE   LYS  40           HE1      LYS  40 -21.278   6.026   2.908
  346   2HE   LYS  40           HE2      LYS  40 -22.004   7.321   3.852
  347   1HZ   LYS  40           HZ1      LYS  40 -22.267   6.950   0.921
  348   2HZ   LYS  40           HZ2      LYS  40 -21.301   8.111   1.698
  349   3HZ   LYS  40           HZ3      LYS  40 -22.993   8.190   1.826
  350    H    THR  41           HN       THR  41 -28.073   4.904   1.163
  351    HA   THR  41           HA       THR  41 -27.862   7.889   1.106
  352    HB   THR  41           HB       THR  41 -28.149   7.884  -1.292
  353    HG1  THR  41           HG1      THR  41 -29.258   5.406  -0.599
  354   1HG2  THR  41          HG21      THR  41 -26.767   5.182  -0.838
  355   2HG2  THR  41          HG22      THR  41 -25.929   6.696  -0.517
  356   3HG2  THR  41          HG23      THR  41 -26.467   6.317  -2.149
  357    H    LYS  42           HN       LYS  42 -29.794   9.003   0.621
  358    HA   LYS  42           HA       LYS  42 -32.094   7.832   1.897
  359   1HB   LYS  42           HB1      LYS  42 -31.982  10.390   0.238
  360   2HB   LYS  42           HB2      LYS  42 -31.411  10.318   1.901
  361   1HG   LYS  42           HG1      LYS  42 -33.617   9.686   2.697
  362   2HG   LYS  42           HG2      LYS  42 -34.211   9.518   1.050
  363   1HD   LYS  42           HD1      LYS  42 -33.654  11.970   0.700
  364   2HD   LYS  42           HD2      LYS  42 -33.330  12.073   2.426
  365   1HE   LYS  42           HE1      LYS  42 -35.604  11.466   2.967
  366   2HE   LYS  42           HE2      LYS  42 -35.954  11.057   1.292
  367   1HZ   LYS  42           HZ1      LYS  42 -36.280  13.504   2.532
  368   2HZ   LYS  42           HZ2      LYS  42 -36.487  13.143   0.885
  369   3HZ   LYS  42           HZ3      LYS  42 -34.985  13.700   1.451
  370    H    GLY  43           HN       GLY  43 -30.920   8.058  -1.321
  371   1HA   GLY  43           HA1      GLY  43 -31.828   7.316  -3.356
  372   2HA   GLY  43           HA2      GLY  43 -33.378   7.913  -2.767
  373    H    ASN  44           HN       ASN  44 -31.143   5.265  -1.943
  374    HA   ASN  44           HA       ASN  44 -32.798   3.153  -2.733
  375   1HB   ASN  44           HB1      ASN  44 -31.495   1.856  -0.912
  376   2HB   ASN  44           HB2      ASN  44 -30.728   3.389  -0.511
  377   1HD2  ASN  44          HD21      ASN  44 -28.708   3.460  -1.476
  378   2HD2  ASN  44          HD22      ASN  44 -28.353   2.925  -3.047
  379    H    LEU  45           HN       LEU  45 -32.731   4.933   0.312
  380    HA   LEU  45           HA       LEU  45 -34.451   3.289   1.817
  381   1HB   LEU  45           HB1      LEU  45 -34.430   6.356   1.787
  382   2HB   LEU  45           HB2      LEU  45 -33.210   5.399   2.603
  383    HG   LEU  45           HG       LEU  45 -34.839   6.099   4.254
  384   1HD1  LEU  45          HD11      LEU  45 -36.686   6.258   2.336
  385   2HD1  LEU  45          HD12      LEU  45 -37.140   6.047   4.020
  386   3HD1  LEU  45          HD13      LEU  45 -37.127   4.668   2.935
  387   1HD2  LEU  45          HD21      LEU  45 -35.644   3.230   3.788
  388   2HD2  LEU  45          HD22      LEU  45 -35.231   4.045   5.288
  389   3HD2  LEU  45          HD23      LEU  45 -33.971   3.626   4.140
  390    H    THR  46           HN       THR  46 -35.326   6.102  -0.188
  391    HA   THR  46           HA       THR  46 -38.113   5.913   0.065
  392    HB   THR  46           HB       THR  46 -36.351   6.749  -2.313
  393    HG1  THR  46           HG1      THR  46 -37.525   8.748  -1.375
  394   1HG2  THR  46          HG21      THR  46 -38.569   8.051  -2.879
  395   2HG2  THR  46          HG22      THR  46 -39.379   6.863  -1.863
  396   3HG2  THR  46          HG23      THR  46 -38.539   6.347  -3.321
  397    H    LYS  47           HN       LYS  47 -35.906   4.091  -1.970
  398    HA   LYS  47           HA       LYS  47 -37.885   2.805  -3.583
  399   1HB   LYS  47           HB1      LYS  47 -35.668   1.019  -3.039
  400   2HB   LYS  47           HB2      LYS  47 -35.041   2.655  -3.150
  401   1HG   LYS  47           HG1      LYS  47 -35.006   1.781  -5.387
  402   2HG   LYS  47           HG2      LYS  47 -36.353   2.907  -5.324
  403   1HD   LYS  47           HD1      LYS  47 -37.959   1.143  -5.207
  404   2HD   LYS  47           HD2      LYS  47 -36.738  -0.052  -4.789
  405   1HE   LYS  47           HE1      LYS  47 -37.490  -0.164  -7.193
  406   2HE   LYS  47           HE2      LYS  47 -35.758   0.076  -7.001
  407   1HZ   LYS  47           HZ1      LYS  47 -36.948   2.590  -7.034
  408   2HZ   LYS  47           HZ2      LYS  47 -37.615   1.709  -8.324
  409   3HZ   LYS  47           HZ3      LYS  47 -35.931   1.897  -8.205
  410    H    HIS  48           HN       HIS  48 -36.453   1.951  -0.460
  411    HA   HIS  48           HA       HIS  48 -37.749  -0.604  -0.253
  412   1HB   HIS  48           HB1      HIS  48 -36.730   1.334   1.889
  413   2HB   HIS  48           HB2      HIS  48 -35.853  -0.036   1.215
  414    HD1  HIS  48           HD1      HIS  48 -37.831  -2.214   1.441
  415    HD2  HIS  48           HD2      HIS  48 -37.483   0.552   4.431
  416    HE1  HIS  48           HE1      HIS  48 -38.747  -3.294   3.435
  417    H    MET  49           HN       MET  49 -38.632   2.636   0.889
  418    HA   MET  49           HA       MET  49 -41.035   1.803   2.218
  419   1HB   MET  49           HB1      MET  49 -41.647   4.326   1.731
  420   2HB   MET  49           HB2      MET  49 -40.016   4.431   1.078
  421   1HG   MET  49           HG1      MET  49 -39.145   3.509   3.216
  422   2HG   MET  49           HG2      MET  49 -40.765   3.502   3.856
  423   1HE   MET  49           HE1      MET  49 -39.253   4.522   5.853
  424   2HE   MET  49           HE2      MET  49 -40.981   4.871   5.790
  425   3HE   MET  49           HE3      MET  49 -39.837   6.151   6.196
  426    H    LYS  50           HN       LYS  50 -40.280   2.608  -1.101
  427    HA   LYS  50           HA       LYS  50 -42.766   3.123  -2.216
  428   1HB   LYS  50           HB1      LYS  50 -40.980   1.053  -3.524
  429   2HB   LYS  50           HB2      LYS  50 -40.358   2.681  -3.293
  430   1HG   LYS  50           HG1      LYS  50 -41.411   2.515  -5.502
  431   2HG   LYS  50           HG2      LYS  50 -42.356   3.590  -4.479
  432   1HD   LYS  50           HD1      LYS  50 -44.069   2.010  -4.180
  433   2HD   LYS  50           HD2      LYS  50 -43.024   0.653  -4.583
  434   1HE   LYS  50           HE1      LYS  50 -44.668   1.261  -6.404
  435   2HE   LYS  50           HE2      LYS  50 -42.987   1.290  -6.920
  436   1HZ   LYS  50           HZ1      LYS  50 -43.433   3.328  -7.629
  437   2HZ   LYS  50           HZ2      LYS  50 -43.405   3.802  -5.998
  438   3HZ   LYS  50           HZ3      LYS  50 -44.882   3.429  -6.749
  439    H    SER  51           HN       SER  51 -41.376  -0.133  -1.785
  440    HA   SER  51           HA       SER  51 -43.572  -1.642  -2.611
  441   1HB   SER  51           HB1      SER  51 -41.737  -2.211  -0.215
  442   2HB   SER  51           HB2      SER  51 -41.390  -2.650  -1.898
  443    HG   SER  51           HG1      SER  51 -42.560  -4.228  -0.434
  444    H    LYS  52           HN       LYS  52 -45.390  -2.493  -1.587
  445    HA   LYS  52           HA       LYS  52 -46.505  -0.740   0.482
  446   1HB   LYS  52           HB1      LYS  52 -48.091  -1.403  -1.183
  447   2HB   LYS  52           HB2      LYS  52 -48.493  -2.433   0.183
  448   1HG   LYS  52           HG1      LYS  52 -48.287  -4.145  -1.308
  449   2HG   LYS  52           HG2      LYS  52 -46.556  -3.927  -1.083
  450   1HD   LYS  52           HD1      LYS  52 -46.526  -2.316  -2.980
  451   2HD   LYS  52           HD2      LYS  52 -48.252  -2.565  -3.209
  452   1HE   LYS  52           HE1      LYS  52 -46.537  -5.007  -3.150
  453   2HE   LYS  52           HE2      LYS  52 -46.410  -3.979  -4.571
  454   1HZ   LYS  52           HZ1      LYS  52 -48.767  -5.408  -3.532
  455   2HZ   LYS  52           HZ2      LYS  52 -48.103  -5.434  -5.096
  456   3HZ   LYS  52           HZ3      LYS  52 -48.949  -4.064  -4.555
  457    H    ALA  53           HN       ALA  53 -44.265  -2.214   1.354
  458    HA   ALA  53           HA       ALA  53 -45.117  -4.547   2.847
  459   1HB   ALA  53           HB1      ALA  53 -42.757  -4.326   2.285
  460   2HB   ALA  53           HB2      ALA  53 -42.865  -4.142   4.033
  461   3HB   ALA  53           HB3      ALA  53 -42.674  -2.723   3.008
  462    H    HIS  54           HN       HIS  54 -43.905  -1.427   4.086
  463    HA   HIS  54           HA       HIS  54 -46.164  -1.234   5.916
  464   1HB   HIS  54           HB1      HIS  54 -44.947  -2.683   7.324
  465   2HB   HIS  54           HB2      HIS  54 -44.392  -1.113   7.885
  466    HD1  HIS  54           HD1      HIS  54 -43.186  -4.133   6.273
  467    HD2  HIS  54           HD2      HIS  54 -41.717  -0.378   6.946
  468    HE1  HIS  54           HE1      HIS  54 -40.760  -4.306   5.960
  469    H    SER  55           HN       SER  55 -46.511   0.790   5.088
  470    HA   SER  55           HA       SER  55 -44.576   2.854   6.013
  471   1HB   SER  55           HB1      SER  55 -44.658   4.001   3.840
  472   2HB   SER  55           HB2      SER  55 -45.890   2.872   3.241
  473    HG   SER  55           HG1      SER  55 -44.304   1.190   3.797
  474    H    LYS  56           HN       LYS  56 -46.734   2.375   7.461
  475    HA   LYS  56           HA       LYS  56 -49.122   3.747   6.633
  476   1HB   LYS  56           HB1      LYS  56 -49.623   3.702   9.134
  477   2HB   LYS  56           HB2      LYS  56 -48.003   3.063   9.394
  478   1HG   LYS  56           HG1      LYS  56 -48.520   1.121   7.973
  479   2HG   LYS  56           HG2      LYS  56 -50.124   1.770   7.645
  480   1HD   LYS  56           HD1      LYS  56 -50.907   1.278   9.767
  481   2HD   LYS  56           HD2      LYS  56 -49.322   1.464  10.509
  482   1HE   LYS  56           HE1      LYS  56 -50.034  -0.822   8.646
  483   2HE   LYS  56           HE2      LYS  56 -50.157  -0.929  10.397
  484   1HZ   LYS  56           HZ1      LYS  56 -48.060  -1.633  10.239
  485   2HZ   LYS  56           HZ2      LYS  56 -47.680   0.018  10.102
  486   3HZ   LYS  56           HZ3      LYS  56 -47.816  -0.941   8.707
  487    H    LYS  57           HN       LYS  57 -47.796   4.850   9.623
  488    HA   LYS  57           HA       LYS  57 -48.332   7.560   9.137
  489   1HB   LYS  57           HB1      LYS  57 -46.099   6.480  10.916
  490   2HB   LYS  57           HB2      LYS  57 -47.796   6.456  11.379
  491   1HG   LYS  57           HG1      LYS  57 -47.914   8.900  11.183
  492   2HG   LYS  57           HG2      LYS  57 -46.244   8.957  10.629
  493   1HD   LYS  57           HD1      LYS  57 -46.799   7.563  13.217
  494   2HD   LYS  57           HD2      LYS  57 -46.872   9.321  13.206
  495   1HE   LYS  57           HE1      LYS  57 -44.538   7.911  11.930
  496   2HE   LYS  57           HE2      LYS  57 -44.572   8.143  13.673
  497   1HZ   LYS  57           HZ1      LYS  57 -45.283  10.569  12.618
  498   2HZ   LYS  57           HZ2      LYS  57 -44.024  10.025  11.617
  499   3HZ   LYS  57                 LYS  57 -43.781  10.155  13.293
   
  Start of MODEL          18
 Raw file had 499 H/Q atoms
  Start of MODEL   18
    1   1H    LYS   1           HT1      LYS   1  -8.802  -3.347 -12.327
    2   2H    LYS   1           HT2      LYS   1  -9.038  -2.025 -11.288
    3   3H    LYS   1           HT3      LYS   1 -10.367  -2.738 -12.070
    4    HA   LYS   1           HA       LYS   1  -9.993  -4.800 -10.861
    5   1HB   LYS   1           HB1      LYS   1  -7.626  -4.662 -10.355
    6   2HB   LYS   1           HB2      LYS   1  -8.446  -4.518  -8.805
    7   1HG   LYS   1           HG1      LYS   1  -8.322  -2.016  -9.042
    8   2HG   LYS   1           HG2      LYS   1  -7.356  -2.244 -10.496
    9   1HD   LYS   1           HD1      LYS   1  -5.737  -3.604  -9.111
   10   2HD   LYS   1           HD2      LYS   1  -6.655  -3.143  -7.682
   11   1HE   LYS   1           HE1      LYS   1  -6.317  -0.706  -8.475
   12   2HE   LYS   1           HE2      LYS   1  -5.092  -1.357  -9.557
   13   1HZ   LYS   1           HZ1      LYS   1  -5.068  -1.104  -6.660
   14   2HZ   LYS   1           HZ2      LYS   1  -3.797  -0.963  -7.777
   15   3HZ   LYS   1           HZ3      LYS   1  -4.345  -2.499  -7.304
   16    OH   TYR   2           OH       TYR   2  -7.899   2.575  -9.175
   17    H    TYR   2           HN       TYR   2 -11.459  -2.185 -10.935
   18    HA   TYR   2           HA       TYR   2 -12.139  -1.844  -8.064
   19   1HB   TYR   2           HB1      TYR   2 -13.492   0.086  -8.908
   20   2HB   TYR   2           HB2      TYR   2 -13.096  -0.366 -10.564
   21    HD1  TYR   2           HD2      TYR   2 -11.592   0.713  -7.337
   22    HD2  TYR   2           HD1      TYR   2 -11.016   0.289 -11.529
   23    HE1  TYR   2           HE2      TYR   2  -9.504   1.986  -7.178
   24    HE2  TYR   2           HE1      TYR   2  -8.926   1.559 -11.371
   25    HH   TYR   2           HH       TYR   2  -7.168   1.958  -9.259
   26    H    ILE   3           HN       ILE   3 -12.880  -4.294  -8.810
   27    HA   ILE   3           HA       ILE   3 -15.805  -4.105  -9.401
   28    HB   ILE   3           HB       ILE   3 -14.054  -6.596  -9.491
   29   1HG1  ILE   3          HG11      ILE   3 -14.217  -4.317 -11.356
   30   2HG1  ILE   3          HG12      ILE   3 -14.502  -5.880 -12.113
   31   1HG2  ILE   3          HG21      ILE   3 -16.564  -6.847  -9.439
   32   2HG2  ILE   3          HG22      ILE   3 -15.892  -7.394 -10.971
   33   3HG2  ILE   3          HG23      ILE   3 -16.682  -5.824 -10.866
   34   1HD1  ILE   3           HD1      ILE   3 -12.173  -5.396 -10.240
   35   2HD1  ILE   3           HD2      ILE   3 -12.053  -5.122 -11.976
   36   3HD1  ILE   3           HD3      ILE   3 -12.397  -6.735 -11.362
   37    H    CYS   4           HN       CYS   4 -16.849  -3.973  -7.454
   38    HA   CYS   4           HA       CYS   4 -15.934  -4.920  -4.996
   39   1HB   CYS   4           HB1      CYS   4 -18.687  -4.561  -6.137
   40   2HB   CYS   4           HB2      CYS   4 -17.892  -3.615  -4.916
   41    H    GLU   5           HN       GLU   5 -15.599  -6.837  -4.171
   42    HA   GLU   5           HA       GLU   5 -15.934  -9.226  -5.688
   43   1HB   GLU   5           HB1      GLU   5 -15.242 -10.347  -3.531
   44   2HB   GLU   5           HB2      GLU   5 -15.393  -8.794  -2.718
   45   1HG   GLU   5           HG1      GLU   5 -13.820  -8.130  -4.873
   46   2HG   GLU   5           HG2      GLU   5 -13.270  -9.768  -4.526
   47    H    GLU   6           HN       GLU   6 -18.124  -7.535  -3.675
   48    HA   GLU   6           HA       GLU   6 -19.724  -9.950  -3.184
   49   1HB   GLU   6           HB1      GLU   6 -20.384  -7.101  -2.359
   50   2HB   GLU   6           HB2      GLU   6 -19.313  -8.126  -1.413
   51   1HG   GLU   6           HG1      GLU   6 -21.121  -9.830  -1.248
   52   2HG   GLU   6           HG2      GLU   6 -22.192  -8.758  -2.146
   53    H    CYS   7           HN       CYS   7 -20.703  -6.665  -4.094
   54    HA   CYS   7           HA       CYS   7 -22.985  -7.673  -5.556
   55   1HB   CYS   7           HB1      CYS   7 -23.525  -5.421  -5.930
   56   2HB   CYS   7           HB2      CYS   7 -21.859  -4.923  -5.980
   57    H    GLY   8           HN       GLY   8 -19.820  -6.379  -6.495
   58   1HA   GLY   8           HA1      GLY   8 -20.256  -7.550  -9.193
   59   2HA   GLY   8           HA2      GLY   8 -18.697  -7.107  -8.514
   60    H    ILE   9           HN       ILE   9 -20.246  -4.543  -7.587
   61    HA   ILE   9           HA       ILE   9 -21.006  -3.079  -9.867
   62    HB   ILE   9           HB       ILE   9 -21.140  -2.474  -7.309
   63   1HG1  ILE   9          HG11      ILE   9 -21.982  -1.066  -9.189
   64   2HG1  ILE   9          HG12      ILE   9 -20.395  -0.322  -9.325
   65   1HG2  ILE   9          HG21      ILE   9 -19.305  -1.186  -6.429
   66   2HG2  ILE   9          HG22      ILE   9 -18.582  -0.957  -8.010
   67   3HG2  ILE   9          HG23      ILE   9 -18.513  -2.526  -7.226
   68   1HD1  ILE   9           HD1      ILE   9 -22.116   0.946  -7.910
   69   2HD1  ILE   9           HD2      ILE   9 -20.561   0.651  -7.142
   70   3HD1  ILE   9           HD3      ILE   9 -21.951  -0.346  -6.727
   71    NH1  ARG  10           NH1      ARG  10 -17.113  -3.421 -18.087
   72    NH2  ARG  10           NH2      ARG  10 -19.324  -3.258 -17.536
   73    H    ARG  10           HN       ARG  10 -19.915  -1.932 -11.395
   74    HA   ARG  10           HA       ARG  10 -16.938  -2.212 -11.348
   75   1HB   ARG  10           HB1      ARG  10 -18.702  -1.606 -13.758
   76   2HB   ARG  10           HB2      ARG  10 -18.365  -3.251 -13.240
   77   1HG   ARG  10           HG1      ARG  10 -15.864  -2.586 -13.353
   78   2HG   ARG  10           HG2      ARG  10 -16.408  -1.171 -14.244
   79   1HD   ARG  10           HD1      ARG  10 -17.048  -4.040 -15.010
   80   2HD   ARG  10           HD2      ARG  10 -15.779  -3.066 -15.749
   81    HE   ARG  10           HE       ARG  10 -18.156  -1.562 -15.951
   82   1HH1  ARG  10          HH11      ARG  10 -16.157  -3.236 -17.858
   83   2HH1  ARG  10          HH12      ARG  10 -17.340  -3.897 -18.937
   84   1HH2  ARG  10          HH21      ARG  10 -20.026  -2.951 -16.893
   85   2HH2  ARG  10          HH22      ARG  10 -19.589  -3.731 -18.377
   86    H    ABA  11           HN       ABU  11 -15.987  -0.418 -10.678
   87    HA   ABA  11           HA       ABU  11 -16.887   2.180 -11.859
   88   1HB   ABA  11           HB1      ABU  11 -16.461   3.260  -9.690
   89   2HB   ABA  11           HB2      ABU  11 -15.904   1.752  -9.003
   90   1HG   ABA  11           HG1      ABU  11 -18.717   2.438  -9.887
   91   2HG   ABA  11           HG2      ABU  11 -18.175   2.036  -8.262
   92   3HG   ABA  11           HG3      ABU  11 -18.213   0.796  -9.509
   93    H    LYS  12           HN       LYS  12 -15.231   2.320 -13.302
   94    HA   LYS  12           HA       LYS  12 -12.558   1.588 -12.950
   95   1HB   LYS  12           HB1      LYS  12 -12.257   3.688 -14.610
   96   2HB   LYS  12           HB2      LYS  12 -14.013   3.588 -14.657
   97   1HG   LYS  12           HG1      LYS  12 -12.113   1.290 -15.230
   98   2HG   LYS  12           HG2      LYS  12 -12.986   2.214 -16.447
   99   1HD   LYS  12           HD1      LYS  12 -15.135   1.543 -15.307
  100   2HD   LYS  12           HD2      LYS  12 -14.193   0.485 -14.264
  101   1HE   LYS  12           HE1      LYS  12 -15.154  -0.699 -16.259
  102   2HE   LYS  12           HE2      LYS  12 -13.399  -0.785 -16.185
  103   1HZ   LYS  12           HZ1      LYS  12 -14.500   1.477 -17.630
  104   2HZ   LYS  12           HZ2      LYS  12 -14.736  -0.045 -18.346
  105   3HZ   LYS  12           HZ3      LYS  12 -13.164   0.494 -17.995
  106    H    LYS  13           HN       LYS  13 -14.204   4.096 -11.333
  107    HA   LYS  13           HA       LYS  13 -11.650   5.513 -10.796
  108   1HB   LYS  13           HB1      LYS  13 -13.281   7.217  -9.709
  109   2HB   LYS  13           HB2      LYS  13 -14.564   6.264 -10.444
  110   1HG   LYS  13           HG1      LYS  13 -13.500   6.575 -12.669
  111   2HG   LYS  13           HG2      LYS  13 -12.249   7.561 -11.922
  112   1HD   LYS  13           HD1      LYS  13 -13.714   9.240 -12.549
  113   2HD   LYS  13           HD2      LYS  13 -14.377   8.871 -10.961
  114   1HE   LYS  13           HE1      LYS  13 -16.298   8.744 -12.277
  115   2HE   LYS  13           HE2      LYS  13 -15.773   7.066 -12.296
  116   1HZ   LYS  13           HZ1      LYS  13 -14.648   8.777 -14.354
  117   2HZ   LYS  13           HZ2      LYS  13 -16.310   8.452 -14.484
  118   3HZ   LYS  13           HZ3      LYS  13 -15.195   7.171 -14.448
  119    HA   PRO  14           HA       PRO  14 -11.448   3.784  -6.698
  120   1HB   PRO  14           HB1      PRO  14  -9.407   4.706  -6.127
  121   2HB   PRO  14           HB2      PRO  14 -10.290   6.055  -5.411
  122   1HG   PRO  14           HG1      PRO  14  -8.588   6.209  -7.663
  123   2HG   PRO  14           HG2      PRO  14  -9.733   7.451  -7.152
  124   1HD   PRO  14           HD1      PRO  14 -10.888   7.049  -9.093
  125   2HD   PRO  14           HD2      PRO  14  -9.894   5.617  -9.427
  126    H    SER  15           HN       SER  15 -11.840   7.280  -6.163
  127    HA   SER  15           HA       SER  15 -13.338   7.412  -3.917
  128   1HB   SER  15           HB1      SER  15 -12.934   9.476  -5.125
  129   2HB   SER  15           HB2      SER  15 -14.700   9.303  -5.156
  130    HG   SER  15           HG1      SER  15 -12.844   8.463  -7.135
  131    H    MET  16           HN       MET  16 -14.654   6.459  -7.062
  132    HA   MET  16           HA       MET  16 -17.362   6.223  -6.092
  133   1HB   MET  16           HB1      MET  16 -17.523   4.696  -8.214
  134   2HB   MET  16           HB2      MET  16 -15.850   5.164  -8.506
  135   1HG   MET  16           HG1      MET  16 -17.329   6.669  -9.703
  136   2HG   MET  16           HG2      MET  16 -16.499   7.531  -8.435
  137   1HE   MET  16           HE1      MET  16 -19.221   8.594 -10.103
  138   2HE   MET  16           HE2      MET  16 -17.921   9.340  -9.171
  139   3HE   MET  16           HE3      MET  16 -19.603   9.605  -8.709
  140    H    LEU  17           HN       LEU  17 -14.864   3.764  -6.836
  141    HA   LEU  17           HA       LEU  17 -16.413   1.624  -5.707
  142   1HB   LEU  17           HB1      LEU  17 -13.380   1.660  -5.842
  143   2HB   LEU  17           HB2      LEU  17 -14.320   1.559  -7.312
  144    HG   LEU  17           HG       LEU  17 -13.614  -0.693  -6.448
  145   1HD1  LEU  17          HD11      LEU  17 -14.423  -1.573  -4.399
  146   2HD1  LEU  17          HD12      LEU  17 -15.572  -0.265  -4.182
  147   3HD1  LEU  17          HD13      LEU  17 -13.851   0.041  -4.003
  148   1HD2  LEU  17          HD21      LEU  17 -15.897  -0.148  -7.679
  149   2HD2  LEU  17          HD22      LEU  17 -16.610  -0.636  -6.153
  150   3HD2  LEU  17          HD23      LEU  17 -15.593  -1.756  -7.046
  151    H    LYS  18           HN       LYS  18 -13.488   3.266  -4.551
  152    HA   LYS  18           HA       LYS  18 -13.066   2.310  -2.066
  153   1HB   LYS  18           HB1      LYS  18 -13.270   5.235  -2.912
  154   2HB   LYS  18           HB2      LYS  18 -11.815   4.246  -2.850
  155   1HG   LYS  18           HG1      LYS  18 -12.632   4.012  -0.276
  156   2HG   LYS  18           HG2      LYS  18 -13.277   5.607  -0.645
  157   1HD   LYS  18           HD1      LYS  18 -10.399   4.714  -1.032
  158   2HD   LYS  18           HD2      LYS  18 -10.981   5.805   0.221
  159   1HE   LYS  18           HE1      LYS  18 -10.427   7.432  -1.286
  160   2HE   LYS  18           HE2      LYS  18 -11.980   7.027  -2.004
  161   1HZ   LYS  18           HZ1      LYS  18  -9.824   7.038  -3.428
  162   2HZ   LYS  18           HZ2      LYS  18 -11.013   5.853  -3.679
  163   3HZ   LYS  18           HZ3      LYS  18  -9.618   5.480  -2.786
  164    H    LYS  19           HN       LYS  19 -15.610   4.708  -2.760
  165    HA   LYS  19           HA       LYS  19 -16.621   4.611  -0.066
  166   1HB   LYS  19           HB1      LYS  19 -18.613   5.828  -1.173
  167   2HB   LYS  19           HB2      LYS  19 -17.736   5.685  -2.693
  168   1HG   LYS  19           HG1      LYS  19 -15.890   6.989  -1.841
  169   2HG   LYS  19           HG2      LYS  19 -16.537   6.944  -0.204
  170   1HD   LYS  19           HD1      LYS  19 -18.566   8.178  -1.040
  171   2HD   LYS  19           HD2      LYS  19 -17.771   8.338  -2.601
  172   1HE   LYS  19           HE1      LYS  19 -17.355  10.363  -1.312
  173   2HE   LYS  19           HE2      LYS  19 -15.848   9.468  -1.449
  174   1HZ   LYS  19           HZ1      LYS  19 -15.738   9.257   0.733
  175   2HZ   LYS  19           HZ2      LYS  19 -17.319   8.645   0.833
  176   3HZ   LYS  19           HZ3      LYS  19 -17.055  10.322   0.861
  177    H    HIS  20           HN       HIS  20 -17.508   3.077  -3.122
  178    HA   HIS  20           HA       HIS  20 -19.962   1.930  -2.324
  179   1HB   HIS  20           HB1      HIS  20 -17.784   0.780  -4.117
  180   2HB   HIS  20           HB2      HIS  20 -19.156   1.739  -4.661
  181    HD1  HIS  20           HD1      HIS  20 -21.144   0.310  -5.197
  182    HD2  HIS  20           HD2      HIS  20 -18.511  -1.732  -2.864
  183    HE1  HIS  20           HE1      HIS  20 -22.065  -1.951  -4.999
  184    H    ILE  21           HN       ILE  21 -16.669   0.607  -2.087
  185    HA   ILE  21           HA       ILE  21 -17.514  -1.773  -0.761
  186    HB   ILE  21           HB       ILE  21 -15.313  -1.667  -1.816
  187   1HG1  ILE  21          HG11      ILE  21 -15.746  -2.625   0.801
  188   2HG1  ILE  21          HG12      ILE  21 -14.191  -1.810   0.858
  189   1HG2  ILE  21          HG21      ILE  21 -14.785   0.524   0.254
  190   2HG2  ILE  21          HG22      ILE  21 -14.805   0.707  -1.496
  191   3HG2  ILE  21          HG23      ILE  21 -13.523  -0.214  -0.723
  192   1HD1  ILE  21           HD1      ILE  21 -15.050  -3.972  -1.089
  193   2HD1  ILE  21           HD2      ILE  21 -13.846  -4.123   0.187
  194   3HD1  ILE  21           HD3      ILE  21 -13.531  -3.090  -1.203
  195    NH1  ARG  22           NH2      ARG  22 -15.794   4.040   5.448
  196    NH2  ARG  22           NH1      ARG  22 -14.402   5.774   5.972
  197    H    ARG  22           HN       ARG  22 -16.744   1.439   0.439
  198    HA   ARG  22           HA       ARG  22 -16.520   0.678   3.199
  199   1HB   ARG  22           HB1      ARG  22 -17.336   3.171   3.505
  200   2HB   ARG  22           HB2      ARG  22 -17.229   3.253   1.752
  201   1HG   ARG  22           HG1      ARG  22 -14.866   2.488   1.875
  202   2HG   ARG  22           HG2      ARG  22 -14.980   2.456   3.630
  203   1HD   ARG  22           HD1      ARG  22 -15.937   5.002   2.821
  204   2HD   ARG  22           HD2      ARG  22 -14.459   4.713   1.904
  205    HE   ARG  22           HE       ARG  22 -13.236   4.791   3.938
  206   1HH1  ARG  22          HH21      ARG  22 -16.077   3.337   4.796
  207   2HH1  ARG  22          HH22      ARG  22 -16.265   4.127   6.325
  208   1HH2  ARG  22          HH11      ARG  22 -13.643   6.371   5.714
  209   2HH2  ARG  22          HH12      ARG  22 -14.850   5.890   6.859
  210    H    THR  23           HN       THR  23 -19.248   1.027   1.090
  211    HA   THR  23           HA       THR  23 -21.230   1.452   3.138
  212    HB   THR  23           HB       THR  23 -21.436   0.154   0.354
  213    HG1  THR  23           HG1      THR  23 -21.728   2.703   1.541
  214   1HG2  THR  23          HG21      THR  23 -23.514  -0.467   1.376
  215   2HG2  THR  23          HG22      THR  23 -23.893   1.150   0.795
  216   3HG2  THR  23          HG23      THR  23 -23.473   0.896   2.488
  217    H    HIS  24           HN       HIS  24 -19.668  -1.447   1.902
  218    HA   HIS  24           HA       HIS  24 -21.546  -3.294   3.099
  219   1HB   HIS  24           HB1      HIS  24 -19.531  -4.918   2.836
  220   2HB   HIS  24           HB2      HIS  24 -18.647  -3.551   2.162
  221    HD1  HIS  24           HD1      HIS  24 -22.053  -5.033   1.464
  222    HD2  HIS  24           HD2      HIS  24 -18.820  -3.591  -0.549
  223    HE1  HIS  24           HE1      HIS  24 -22.618  -5.219  -0.939
  224    H    THR  25           HN       THR  25 -20.055  -1.065   4.731
  225    HA   THR  25           HA       THR  25 -18.878  -2.789   6.841
  226    HB   THR  25           HB       THR  25 -18.243  -0.499   7.811
  227    HG1  THR  25           HG1      THR  25 -20.038   0.086   5.830
  228   1HG2  THR  25          HG21      THR  25 -17.675  -0.976   4.842
  229   2HG2  THR  25          HG22      THR  25 -16.611  -1.406   6.179
  230   3HG2  THR  25          HG23      THR  25 -16.877   0.288   5.774
  231    H    ASP  26           HN       ASP  26 -20.123   0.137   7.919
  232    HA   ASP  26           HA       ASP  26 -22.709  -0.980   8.759
  233   1HB   ASP  26           HB1      ASP  26 -22.266  -0.714  11.138
  234   2HB   ASP  26           HB2      ASP  26 -20.743   0.114  10.823
  235    H    VAL  27           HN       VAL  27 -21.655   1.145   7.101
  236    HA   VAL  27           HA       VAL  27 -22.563   3.572   8.560
  237    HB   VAL  27           HB       VAL  27 -20.382   3.668   7.389
  238   1HG1  VAL  27          HG11      VAL  27 -21.945   3.100   4.853
  239   2HG1  VAL  27          HG12      VAL  27 -20.955   1.922   5.688
  240   3HG1  VAL  27          HG13      VAL  27 -20.208   3.345   4.982
  241   1HG2  VAL  27          HG21      VAL  27 -22.496   5.490   7.078
  242   2HG2  VAL  27          HG22      VAL  27 -21.800   5.337   5.467
  243   3HG2  VAL  27          HG23      VAL  27 -20.787   5.822   6.821
  244    NH1  ARG  28           NH2      ARG  28 -25.422  -2.931   2.551
  245    NH2  ARG  28           NH1      ARG  28 -23.787  -3.473   4.053
  246    H    ARG  28           HN       ARG  28 -24.544   1.794   7.944
  247    HA   ARG  28           HA       ARG  28 -25.982   3.075   5.658
  248   1HB   ARG  28           HB1      ARG  28 -27.346   0.883   5.776
  249   2HB   ARG  28           HB2      ARG  28 -26.107   0.295   6.875
  250   1HG   ARG  28           HG1      ARG  28 -24.592   1.297   4.809
  251   2HG   ARG  28           HG2      ARG  28 -25.990   0.662   3.956
  252   1HD   ARG  28           HD1      ARG  28 -25.681  -1.466   5.403
  253   2HD   ARG  28           HD2      ARG  28 -24.080  -0.825   5.769
  254    HE   ARG  28           HE       ARG  28 -23.953  -0.721   3.112
  255   1HH1  ARG  28          HH21      ARG  28 -25.976  -2.229   2.105
  256   2HH1  ARG  28          HH22      ARG  28 -25.546  -3.894   2.311
  257   1HH2  ARG  28          HH11      ARG  28 -23.116  -3.176   4.733
  258   2HH2  ARG  28          HH12      ARG  28 -23.884  -4.445   3.838
  259    HA   PRO  29           HA       PRO  29 -28.172   4.279   9.566
  260   1HB   PRO  29           HB1      PRO  29 -28.080   6.571   9.486
  261   2HB   PRO  29           HB2      PRO  29 -29.181   6.593   8.107
  262   1HG   PRO  29           HG1      PRO  29 -26.286   6.990   8.118
  263   2HG   PRO  29           HG2      PRO  29 -27.409   7.176   6.769
  264   1HD   PRO  29           HD1      PRO  29 -26.781   5.171   5.896
  265   2HD   PRO  29           HD2      PRO  29 -25.521   5.068   7.137
  266    OH   TYR  30           OH       TYR  30 -31.071   9.090   3.004
  267    H    TYR  30           HN       TYR  30 -29.303   4.309   6.207
  268    HA   TYR  30           HA       TYR  30 -32.106   4.363   6.814
  269   1HB   TYR  30           HB1      TYR  30 -32.319   3.279   4.504
  270   2HB   TYR  30           HB2      TYR  30 -30.567   3.154   4.462
  271    HD1  TYR  30           HD1      TYR  30 -33.247   5.700   5.068
  272    HD2  TYR  30           HD2      TYR  30 -29.346   4.941   3.546
  273    HE1  TYR  30           HE1      TYR  30 -33.109   8.011   4.264
  274    HE2  TYR  30           HE2      TYR  30 -29.210   7.252   2.746
  275    HH   TYR  30           HH       TYR  30 -30.900   9.069   2.059
  276    H    HIS  31           HN       HIS  31 -32.064   2.929   8.702
  277    HA   HIS  31           HA       HIS  31 -31.743   0.042   8.129
  278   1HB   HIS  31           HB1      HIS  31 -32.544   0.056  10.692
  279   2HB   HIS  31           HB2      HIS  31 -32.122   1.762  10.594
  280    HD1  HIS  31           HD1      HIS  31 -30.591  -1.501  10.770
  281    HD2  HIS  31           HD2      HIS  31 -29.344   2.286  10.012
  282    HE1  HIS  31           HE1      HIS  31 -28.173  -1.588  10.969
  283    H    CYS  32           HN       CYS  32 -33.417  -1.391   7.977
  284    HA   CYS  32           HA       CYS  32 -36.020  -0.425   7.326
  285   1HB   CYS  32           HB1      CYS  32 -34.863  -3.123   8.061
  286   2HB   CYS  32           HB2      CYS  32 -35.448  -2.585   6.508
  287    H    THR  33           HN       THR  33 -37.941  -0.401   8.510
  288    HA   THR  33           HA       THR  33 -37.581   0.004  11.381
  289    HB   THR  33           HB       THR  33 -40.055   0.085   9.556
  290    HG1  THR  33           HG1      THR  33 -38.756   1.798   9.229
  291   1HG2  THR  33          HG21      THR  33 -39.678   0.401  12.548
  292   2HG2  THR  33          HG22      THR  33 -41.110  -0.141  11.679
  293   3HG2  THR  33          HG23      THR  33 -40.714   1.574  11.741
  294    OH   TYR  34           OH       TYR  34 -43.989  -1.468   9.102
  295    H    TYR  34           HN       TYR  34 -37.475  -2.741   9.899
  296    HA   TYR  34           HA       TYR  34 -38.982  -4.165  12.036
  297   1HB   TYR  34           HB1      TYR  34 -39.847  -5.796  10.394
  298   2HB   TYR  34           HB2      TYR  34 -38.983  -4.996   9.092
  299    HD1  TYR  34           HD2      TYR  34 -39.611  -2.501   8.631
  300    HD2  TYR  34           HD1      TYR  34 -42.044  -5.121  10.935
  301    HE1  TYR  34           HE2      TYR  34 -41.555  -1.073   8.202
  302    HE2  TYR  34           HE1      TYR  34 -43.984  -3.682  10.511
  303    HH   TYR  34           HH       TYR  34 -43.799  -0.930   8.330
  304    H    CYS  35           HN       CYS  35 -37.090  -5.100   9.174
  305    HA   CYS  35           HA       CYS  35 -35.719  -7.216  10.544
  306   1HB   CYS  35           HB1      CYS  35 -34.349  -7.346   8.556
  307   2HB   CYS  35           HB2      CYS  35 -34.678  -5.689   8.140
  308    H    ASN  36           HN       ASN  36 -33.090  -6.828   9.727
  309    HA   ASN  36           HA       ASN  36 -32.179  -4.626  11.534
  310   1HB   ASN  36           HB1      ASN  36 -30.975  -7.409  11.102
  311   2HB   ASN  36           HB2      ASN  36 -31.817  -6.876  12.554
  312   1HD2  ASN  36          HD21      ASN  36 -30.543  -4.108  12.209
  313   2HD2  ASN  36          HD22      ASN  36 -28.958  -4.302  12.785
  314    H    PHE  37           HN       PHE  37 -32.372  -5.569   8.439
  315    HA   PHE  37           HA       PHE  37 -29.634  -5.012   7.602
  316   1HB   PHE  37           HB1      PHE  37 -31.938  -4.903   5.673
  317   2HB   PHE  37           HB2      PHE  37 -31.627  -6.449   6.466
  318    HD1  PHE  37           HD2      PHE  37 -28.997  -7.069   6.571
  319    HD2  PHE  37           HD1      PHE  37 -30.788  -4.501   3.686
  320    HE1  PHE  37           HE2      PHE  37 -27.102  -7.446   5.057
  321    HE2  PHE  37           HE1      PHE  37 -28.890  -4.883   2.172
  322    HZ   PHE  37           HZ       PHE  37 -27.047  -6.355   2.858
  323    H    SER  38           HN       SER  38 -29.154  -3.282   6.073
  324    HA   SER  38           HA       SER  38 -30.967  -0.970   6.119
  325   1HB   SER  38           HB1      SER  38 -28.143  -0.730   7.258
  326   2HB   SER  38           HB2      SER  38 -29.589  -0.887   8.270
  327    HG   SER  38           HG1      SER  38 -29.691   1.204   7.959
  328    H    PHE  39           HN       PHE  39 -29.913   0.919   4.966
  329    HA   PHE  39           HA       PHE  39 -27.993  -0.021   2.893
  330   1HB   PHE  39           HB1      PHE  39 -29.417   0.818   1.154
  331   2HB   PHE  39           HB2      PHE  39 -30.426   1.696   2.304
  332    HD1  PHE  39           HD2      PHE  39 -31.881   0.403   3.909
  333    HD2  PHE  39           HD1      PHE  39 -29.814  -1.530   0.721
  334    HE1  PHE  39           HE2      PHE  39 -33.281  -1.593   4.207
  335    HE2  PHE  39           HE1      PHE  39 -31.229  -3.517   1.018
  336    HZ   PHE  39           HZ       PHE  39 -32.961  -3.550   2.765
  337    H    LYS  40           HN       LYS  40 -27.135   1.838   1.605
  338    HA   LYS  40           HA       LYS  40 -26.421   4.007   3.475
  339   1HB   LYS  40           HB1      LYS  40 -25.444   3.262   0.671
  340   2HB   LYS  40           HB2      LYS  40 -24.644   2.867   2.174
  341   1HG   LYS  40           HG1      LYS  40 -25.107   5.707   1.183
  342   2HG   LYS  40           HG2      LYS  40 -23.597   4.828   1.032
  343   1HD   LYS  40           HD1      LYS  40 -23.778   4.496   3.604
  344   2HD   LYS  40           HD2      LYS  40 -24.943   5.810   3.542
  345   1HE   LYS  40           HE1      LYS  40 -22.019   5.853   2.808
  346   2HE   LYS  40           HE2      LYS  40 -22.889   6.919   3.902
  347   1HZ   LYS  40           HZ1      LYS  40 -23.902   8.025   2.135
  348   2HZ   LYS  40           HZ2      LYS  40 -23.492   6.819   1.012
  349   3HZ   LYS  40           HZ3      LYS  40 -22.287   7.834   1.646
  350    H    THR  41           HN       THR  41 -28.404   3.446   0.706
  351    HA   THR  41           HA       THR  41 -28.982   6.382   0.560
  352    HB   THR  41           HB       THR  41 -29.223   6.171  -1.845
  353    HG1  THR  41           HG1      THR  41 -29.847   4.285  -2.658
  354   1HG2  THR  41          HG21      THR  41 -26.785   5.654  -0.959
  355   2HG2  THR  41          HG22      THR  41 -27.157   5.094  -2.586
  356   3HG2  THR  41          HG23      THR  41 -27.186   3.961  -1.239
  357    H    LYS  42           HN       LYS  42 -31.133   6.942  -0.069
  358    HA   LYS  42           HA       LYS  42 -33.097   5.355   1.296
  359   1HB   LYS  42           HB1      LYS  42 -33.414   7.750  -0.580
  360   2HB   LYS  42           HB2      LYS  42 -33.194   7.860   1.159
  361   1HG   LYS  42           HG1      LYS  42 -35.539   6.521  -0.240
  362   2HG   LYS  42           HG2      LYS  42 -35.582   8.082   0.565
  363   1HD   LYS  42           HD1      LYS  42 -34.586   6.620   2.588
  364   2HD   LYS  42           HD2      LYS  42 -35.464   5.345   1.749
  365   1HE   LYS  42           HE1      LYS  42 -36.923   6.434   3.407
  366   2HE   LYS  42           HE2      LYS  42 -37.510   6.751   1.779
  367   1HZ   LYS  42           HZ1      LYS  42 -37.287   8.905   2.113
  368   2HZ   LYS  42           HZ2      LYS  42 -35.649   8.731   2.525
  369   3HZ   LYS  42           HZ3      LYS  42 -36.843   8.601   3.724
  370    H    GLY  43           HN       GLY  43 -31.919   5.509  -1.927
  371   1HA   GLY  43           HA1      GLY  43 -32.530   4.300  -3.849
  372   2HA   GLY  43           HA2      GLY  43 -34.199   4.603  -3.371
  373    H    ASN  44           HN       ASN  44 -31.423   2.529  -2.607
  374    HA   ASN  44           HA       ASN  44 -32.623   0.069  -2.955
  375   1HB   ASN  44           HB1      ASN  44 -30.996  -0.741  -1.144
  376   2HB   ASN  44           HB2      ASN  44 -30.632   0.948  -0.818
  377   1HD2  ASN  44          HD21      ASN  44 -31.311  -0.084  -4.125
  378   2HD2  ASN  44          HD22      ASN  44 -29.722   0.073  -4.692
  379    H    LEU  45           HN       LEU  45 -32.670   2.018   0.015
  380    HA   LEU  45           HA       LEU  45 -34.020   0.259   1.704
  381   1HB   LEU  45           HB1      LEU  45 -34.367   3.291   1.379
  382   2HB   LEU  45           HB2      LEU  45 -33.222   2.490   2.433
  383    HG   LEU  45           HG       LEU  45 -34.997   3.159   3.873
  384   1HD1  LEU  45          HD11      LEU  45 -37.191   3.376   3.293
  385   2HD1  LEU  45          HD12      LEU  45 -37.255   1.800   2.519
  386   3HD1  LEU  45          HD13      LEU  45 -36.620   3.182   1.643
  387   1HD2  LEU  45          HD21      LEU  45 -34.226   0.723   4.028
  388   2HD2  LEU  45          HD22      LEU  45 -35.734   0.286   3.241
  389   3HD2  LEU  45          HD23      LEU  45 -35.762   1.100   4.799
  390    H    THR  46           HN       THR  46 -35.421   2.484  -0.679
  391    HA   THR  46           HA       THR  46 -38.150   1.868  -0.160
  392    HB   THR  46           HB       THR  46 -36.900   2.575  -2.885
  393    HG1  THR  46           HG1      THR  46 -37.587   4.030  -0.547
  394   1HG2  THR  46          HG21      THR  46 -39.553   3.422  -1.602
  395   2HG2  THR  46          HG22      THR  46 -39.453   2.040  -2.687
  396   3HG2  THR  46          HG23      THR  46 -39.070   3.652  -3.279
  397    H    LYS  47           HN       LYS  47 -35.779   0.345  -2.297
  398    HA   LYS  47           HA       LYS  47 -37.585  -1.451  -3.581
  399   1HB   LYS  47           HB1      LYS  47 -34.636  -1.865  -2.876
  400   2HB   LYS  47           HB2      LYS  47 -35.218  -1.042  -4.318
  401   1HG   LYS  47           HG1      LYS  47 -36.570  -3.247  -4.730
  402   2HG   LYS  47           HG2      LYS  47 -35.427  -3.962  -3.598
  403   1HD   LYS  47           HD1      LYS  47 -33.618  -2.782  -5.093
  404   2HD   LYS  47           HD2      LYS  47 -34.898  -2.743  -6.300
  405   1HE   LYS  47           HE1      LYS  47 -34.052  -4.827  -6.795
  406   2HE   LYS  47           HE2      LYS  47 -35.149  -5.307  -5.507
  407   1HZ   LYS  47           HZ1      LYS  47 -33.342  -6.180  -4.584
  408   2HZ   LYS  47           HZ2      LYS  47 -32.930  -4.589  -4.157
  409   3HZ   LYS  47           HZ3      LYS  47 -32.276  -5.287  -5.560
  410    H    HIS  48           HN       HIS  48 -35.966  -1.576  -0.473
  411    HA   HIS  48           HA       HIS  48 -36.555  -4.377  -0.008
  412   1HB   HIS  48           HB1      HIS  48 -35.886  -2.084   1.908
  413   2HB   HIS  48           HB2      HIS  48 -34.751  -3.257   1.251
  414    HD1  HIS  48           HD1      HIS  48 -35.532  -5.810   1.939
  415    HD2  HIS  48           HD2      HIS  48 -36.894  -2.818   4.368
  416    HE1  HIS  48           HE1      HIS  48 -36.179  -6.911   4.025
  417    H    MET  49           HN       MET  49 -38.131  -1.327   0.872
  418    HA   MET  49           HA       MET  49 -40.193  -2.601   2.452
  419   1HB   MET  49           HB1      MET  49 -41.362  -0.350   2.122
  420   2HB   MET  49           HB2      MET  49 -40.042   0.115   1.055
  421   1HG   MET  49           HG1      MET  49 -39.510   0.971   3.213
  422   2HG   MET  49           HG2      MET  49 -38.449  -0.380   2.918
  423   1HE   MET  49           HE1      MET  49 -38.660  -0.423   6.704
  424   2HE   MET  49           HE2      MET  49 -38.649   0.982   5.639
  425   3HE   MET  49           HE3      MET  49 -37.638  -0.415   5.267
  426    H    LYS  50           HN       LYS  50 -39.839  -1.742  -0.924
  427    HA   LYS  50           HA       LYS  50 -42.449  -1.888  -1.869
  428   1HB   LYS  50           HB1      LYS  50 -40.108  -3.322  -3.201
  429   2HB   LYS  50           HB2      LYS  50 -40.249  -1.568  -3.190
  430   1HG   LYS  50           HG1      LYS  50 -42.258  -1.613  -4.462
  431   2HG   LYS  50           HG2      LYS  50 -42.510  -3.327  -4.153
  432   1HD   LYS  50           HD1      LYS  50 -39.944  -2.628  -5.472
  433   2HD   LYS  50           HD2      LYS  50 -41.389  -2.370  -6.442
  434   1HE   LYS  50           HE1      LYS  50 -40.508  -4.663  -6.750
  435   2HE   LYS  50           HE2      LYS  50 -42.104  -4.694  -6.012
  436   1HZ   LYS  50           HZ1      LYS  50 -40.549  -6.198  -4.922
  437   2HZ   LYS  50           HZ2      LYS  50 -41.095  -4.989  -3.861
  438   3HZ   LYS  50           HZ3      LYS  50 -39.539  -4.889  -4.535
  439    H    SER  51           HN       SER  51 -40.237  -4.664  -1.497
  440    HA   SER  51           HA       SER  51 -41.940  -6.723  -2.255
  441   1HB   SER  51           HB1      SER  51 -40.049  -6.718   0.165
  442   2HB   SER  51           HB2      SER  51 -39.578  -7.094  -1.504
  443    HG   SER  51           HG1      SER  51 -40.162  -8.971  -0.265
  444    H    LYS  52           HN       LYS  52 -43.505  -7.974  -1.247
  445    HA   LYS  52           HA       LYS  52 -45.160  -6.552   0.663
  446   1HB   LYS  52           HB1      LYS  52 -46.672  -7.945  -0.343
  447   2HB   LYS  52           HB2      LYS  52 -45.980  -9.279   0.570
  448   1HG   LYS  52           HG1      LYS  52 -44.287  -9.604  -1.229
  449   2HG   LYS  52           HG2      LYS  52 -45.045  -8.309  -2.152
  450   1HD   LYS  52           HD1      LYS  52 -47.181  -9.582  -2.150
  451   2HD   LYS  52           HD2      LYS  52 -46.389 -10.887  -1.275
  452   1HE   LYS  52           HE1      LYS  52 -44.836 -11.245  -3.122
  453   2HE   LYS  52           HE2      LYS  52 -45.479  -9.849  -3.978
  454   1HZ   LYS  52           HZ1      LYS  52 -46.512 -11.685  -4.935
  455   2HZ   LYS  52           HZ2      LYS  52 -47.685 -11.052  -3.883
  456   3HZ   LYS  52           HZ3      LYS  52 -46.802 -12.433  -3.438
  457    H    ALA  53           HN       ALA  53 -42.347  -7.672   1.331
  458    HA   ALA  53           HA       ALA  53 -42.536  -9.685   3.284
  459   1HB   ALA  53           HB1      ALA  53 -40.471  -8.645   4.249
  460   2HB   ALA  53           HB2      ALA  53 -40.771  -7.184   3.312
  461   3HB   ALA  53           HB3      ALA  53 -40.381  -8.692   2.491
  462    H    HIS  54           HN       HIS  54 -42.357  -6.200   4.039
  463    HA   HIS  54           HA       HIS  54 -44.607  -6.349   5.843
  464   1HB   HIS  54           HB1      HIS  54 -43.167  -7.411   7.388
  465   2HB   HIS  54           HB2      HIS  54 -43.004  -5.721   7.845
  466    HD1  HIS  54           HD1      HIS  54 -41.115  -8.461   6.336
  467    HD2  HIS  54           HD2      HIS  54 -40.509  -4.489   7.087
  468    HE1  HIS  54           HE1      HIS  54 -38.702  -8.108   6.101
  469    H    SER  55           HN       SER  55 -45.343  -4.496   4.908
  470    HA   SER  55           HA       SER  55 -43.929  -2.032   5.733
  471   1HB   SER  55           HB1      SER  55 -43.078  -2.328   3.456
  472   2HB   SER  55           HB2      SER  55 -44.378  -1.128   3.319
  473    HG   SER  55           HG1      SER  55 -44.449  -3.904   2.791
  474    H    LYS  56           HN       LYS  56 -46.316  -1.902   3.238
  475    HA   LYS  56           HA       LYS  56 -48.153  -0.583   5.140
  476   1HB   LYS  56           HB1      LYS  56 -49.409   0.003   3.031
  477   2HB   LYS  56           HB2      LYS  56 -48.255  -0.948   2.105
  478   1HG   LYS  56           HG1      LYS  56 -46.449   0.521   2.665
  479   2HG   LYS  56           HG2      LYS  56 -47.392   1.319   3.917
  480   1HD   LYS  56           HD1      LYS  56 -48.641   1.372   1.241
  481   2HD   LYS  56           HD2      LYS  56 -47.123   2.256   1.348
  482   1HE   LYS  56           HE1      LYS  56 -49.487   2.603   3.223
  483   2HE   LYS  56           HE2      LYS  56 -49.060   3.702   1.918
  484   1HZ   LYS  56           HZ1      LYS  56 -47.823   3.334   4.513
  485   2HZ   LYS  56           HZ2      LYS  56 -47.951   4.729   3.554
  486   3HZ   LYS  56           HZ3      LYS  56 -46.753   3.575   3.217
  487    H    LYS  57           HN       LYS  57 -49.761  -1.905   2.502
  488    HA   LYS  57           HA       LYS  57 -51.540  -3.418   4.100
  489   1HB   LYS  57           HB1      LYS  57 -52.294  -4.367   1.871
  490   2HB   LYS  57           HB2      LYS  57 -50.908  -3.582   1.117
  491   1HG   LYS  57           HG1      LYS  57 -51.724  -1.398   1.674
  492   2HG   LYS  57           HG2      LYS  57 -52.932  -2.054   2.773
  493   1HD   LYS  57           HD1      LYS  57 -53.953  -1.385   0.615
  494   2HD   LYS  57           HD2      LYS  57 -54.094  -3.120   0.873
  495   1HE   LYS  57           HE1      LYS  57 -52.519  -3.629  -0.757
  496   2HE   LYS  57           HE2      LYS  57 -51.671  -2.101  -0.563
  497   1HZ   LYS  57           HZ1      LYS  57 -53.120  -1.011  -1.912
  498   2HZ   LYS  57           HZ2      LYS  57 -54.415  -2.057  -1.581
  499   3HZ   LYS  57                 LYS  57 -53.171  -2.550  -2.627
   
  Start of MODEL          19
 Raw file had 499 H/Q atoms
  Start of MODEL   19
    1   1H    LYS   1           HT1      LYS   1  -7.522  -2.520 -11.179
    2   2H    LYS   1           HT2      LYS   1  -7.279  -3.062  -9.589
    3   3H    LYS   1           HT3      LYS   1  -8.036  -1.569  -9.869
    4    HA   LYS   1           HA       LYS   1  -9.639  -3.167 -11.259
    5   1HB   LYS   1           HB1      LYS   1 -10.025  -5.197  -9.940
    6   2HB   LYS   1           HB2      LYS   1  -8.843  -4.699  -8.736
    7   1HG   LYS   1           HG1      LYS   1  -7.044  -4.851 -10.408
    8   2HG   LYS   1           HG2      LYS   1  -8.214  -5.285 -11.649
    9   1HD   LYS   1           HD1      LYS   1  -8.185  -6.921  -9.146
   10   2HD   LYS   1           HD2      LYS   1  -6.863  -7.154 -10.284
   11   1HE   LYS   1           HE1      LYS   1  -9.701  -7.101 -11.287
   12   2HE   LYS   1           HE2      LYS   1  -9.063  -8.571 -10.558
   13   1HZ   LYS   1           HZ1      LYS   1  -8.655  -7.597 -13.146
   14   2HZ   LYS   1           HZ2      LYS   1  -8.060  -9.029 -12.451
   15   3HZ   LYS   1           HZ3      LYS   1  -7.157  -7.595 -12.347
   16    OH   TYR   2           OH       TYR   2  -7.602   2.325  -8.920
   17    H    TYR   2           HN       TYR   2 -11.714  -2.845 -10.562
   18    HA   TYR   2           HA       TYR   2 -12.129  -1.828  -7.809
   19   1HB   TYR   2           HB1      TYR   2 -13.335   0.168  -8.685
   20   2HB   TYR   2           HB2      TYR   2 -12.953  -0.314 -10.335
   21    HD1  TYR   2           HD2      TYR   2 -11.386   0.642  -7.092
   22    HD2  TYR   2           HD1      TYR   2 -10.860   0.266 -11.295
   23    HE1  TYR   2           HE2      TYR   2  -9.227   1.790  -6.924
   24    HE2  TYR   2           HE1      TYR   2  -8.699   1.411 -11.127
   25    HH   TYR   2           HH       TYR   2  -6.931   1.750  -9.292
   26    H    ILE   3           HN       ILE   3 -12.928  -4.254  -8.819
   27    HA   ILE   3           HA       ILE   3 -15.848  -3.904  -9.331
   28    HB   ILE   3           HB       ILE   3 -14.243  -6.478  -9.581
   29   1HG1  ILE   3          HG11      ILE   3 -13.110  -4.832 -10.978
   30   2HG1  ILE   3          HG12      ILE   3 -14.642  -4.296 -11.657
   31   1HG2  ILE   3          HG21      ILE   3 -16.643  -5.531 -11.203
   32   2HG2  ILE   3          HG22      ILE   3 -16.868  -6.281  -9.626
   33   3HG2  ILE   3          HG23      ILE   3 -16.104  -7.185 -10.928
   34   1HD1  ILE   3           HD1      ILE   3 -13.236  -6.005 -13.028
   35   2HD1  ILE   3           HD2      ILE   3 -14.959  -6.320 -12.844
   36   3HD1  ILE   3           HD3      ILE   3 -13.794  -7.189 -11.851
   37    H    CYS   4           HN       CYS   4 -16.868  -3.857  -7.378
   38    HA   CYS   4           HA       CYS   4 -15.954  -4.999  -4.996
   39   1HB   CYS   4           HB1      CYS   4 -18.737  -4.493  -6.035
   40   2HB   CYS   4           HB2      CYS   4 -17.851  -3.573  -4.855
   41    H    GLU   5           HN       GLU   5 -15.609  -6.980  -4.387
   42    HA   GLU   5           HA       GLU   5 -16.182  -9.237  -6.029
   43   1HB   GLU   5           HB1      GLU   5 -15.378 -10.538  -4.023
   44   2HB   GLU   5           HB2      GLU   5 -15.415  -9.053  -3.080
   45   1HG   GLU   5           HG1      GLU   5 -13.835  -9.293  -5.654
   46   2HG   GLU   5           HG2      GLU   5 -13.141  -9.680  -4.082
   47    H    GLU   6           HN       GLU   6 -18.126  -7.591  -3.746
   48    HA   GLU   6           HA       GLU   6 -19.797  -9.948  -3.247
   49   1HB   GLU   6           HB1      GLU   6 -20.359  -7.107  -2.337
   50   2HB   GLU   6           HB2      GLU   6 -19.200  -8.126  -1.493
   51   1HG   GLU   6           HG1      GLU   6 -20.926  -9.808  -1.073
   52   2HG   GLU   6           HG2      GLU   6 -22.091  -8.889  -2.020
   53    H    CYS   7           HN       CYS   7 -20.653  -6.607  -4.098
   54    HA   CYS   7           HA       CYS   7 -23.059  -7.512  -5.439
   55   1HB   CYS   7           HB1      CYS   7 -23.520  -5.223  -5.772
   56   2HB   CYS   7           HB2      CYS   7 -21.837  -4.790  -5.830
   57    H    GLY   8           HN       GLY   8 -19.943  -6.189  -6.515
   58   1HA   GLY   8           HA1      GLY   8 -20.514  -7.316  -9.216
   59   2HA   GLY   8           HA2      GLY   8 -18.909  -6.978  -8.584
   60    H    ILE   9           HN       ILE   9 -20.264  -4.361  -7.520
   61    HA   ILE   9           HA       ILE   9 -21.020  -2.809  -9.750
   62    HB   ILE   9           HB       ILE   9 -21.094  -2.252  -7.185
   63   1HG1  ILE   9          HG11      ILE   9 -20.670  -0.446  -9.513
   64   2HG1  ILE   9          HG12      ILE   9 -20.569   0.293  -7.919
   65   1HG2  ILE   9          HG21      ILE   9 -18.492  -2.444  -7.071
   66   2HG2  ILE   9          HG22      ILE   9 -19.196  -1.036  -6.309
   67   3HG2  ILE   9          HG23      ILE   9 -18.447  -0.888  -7.885
   68   1HD1  ILE   9           HD1      ILE   9 -22.775  -0.595  -7.327
   69   2HD1  ILE   9           HD2      ILE   9 -22.868  -1.456  -8.860
   70   3HD1  ILE   9           HD3      ILE   9 -22.901   0.304  -8.836
   71    NH1  ARG  10           NH1      ARG  10 -16.823  -4.029 -17.818
   72    NH2  ARG  10           NH2      ARG  10 -14.659  -3.348 -18.077
   73    H    ARG  10           HN       ARG  10 -19.921  -2.055 -11.432
   74    HA   ARG  10           HA       ARG  10 -16.961  -2.326 -11.392
   75   1HB   ARG  10           HB1      ARG  10 -18.871  -1.760 -13.709
   76   2HB   ARG  10           HB2      ARG  10 -18.316  -3.364 -13.252
   77   1HG   ARG  10           HG1      ARG  10 -15.917  -2.185 -13.460
   78   2HG   ARG  10           HG2      ARG  10 -16.804  -1.130 -14.550
   79   1HD   ARG  10           HD1      ARG  10 -17.706  -3.387 -15.563
   80   2HD   ARG  10           HD2      ARG  10 -16.283  -4.084 -14.790
   81    HE   ARG  10           HE       ARG  10 -15.367  -1.835 -16.203
   82   1HH1  ARG  10          HH11      ARG  10 -17.668  -4.013 -17.283
   83   2HH1  ARG  10          HH12      ARG  10 -16.779  -4.558 -18.665
   84   1HH2  ARG  10          HH21      ARG  10 -13.880  -2.822 -17.736
   85   2HH2  ARG  10          HH22      ARG  10 -14.577  -3.866 -18.929
   86    H    ABA  11           HN       ABU  11 -16.198  -0.494 -10.416
   87    HA   ABA  11           HA       ABU  11 -16.920   2.110 -11.733
   88   1HB   ABA  11           HB1      ABU  11 -16.464   3.197  -9.579
   89   2HB   ABA  11           HB2      ABU  11 -15.922   1.692  -8.877
   90   1HG   ABA  11           HG1      ABU  11 -18.141   1.885  -8.088
   91   2HG   ABA  11           HG2      ABU  11 -18.308   0.816  -9.474
   92   3HG   ABA  11           HG3      ABU  11 -18.724   2.516  -9.624
   93    H    LYS  12           HN       LYS  12 -15.251   1.811 -13.241
   94    HA   LYS  12           HA       LYS  12 -12.616   1.131 -12.890
   95   1HB   LYS  12           HB1      LYS  12 -12.193   3.044 -14.649
   96   2HB   LYS  12           HB2      LYS  12 -13.937   3.269 -14.582
   97   1HG   LYS  12           HG1      LYS  12 -13.884   1.659 -16.235
   98   2HG   LYS  12           HG2      LYS  12 -13.877   0.590 -14.839
   99   1HD   LYS  12           HD1      LYS  12 -12.069  -0.150 -16.236
  100   2HD   LYS  12           HD2      LYS  12 -11.328   0.712 -14.895
  101   1HE   LYS  12           HE1      LYS  12 -10.340   2.121 -16.356
  102   2HE   LYS  12           HE2      LYS  12 -11.918   2.641 -16.929
  103   1HZ   LYS  12           HZ1      LYS  12 -11.007   1.810 -18.825
  104   2HZ   LYS  12           HZ2      LYS  12 -11.799   0.423 -18.250
  105   3HZ   LYS  12           HZ3      LYS  12 -10.125   0.600 -18.025
  106    H    LYS  13           HN       LYS  13 -14.151   3.944 -11.552
  107    HA   LYS  13           HA       LYS  13 -11.515   5.151 -10.969
  108   1HB   LYS  13           HB1      LYS  13 -12.923   7.074 -10.109
  109   2HB   LYS  13           HB2      LYS  13 -14.357   6.146 -10.531
  110   1HG   LYS  13           HG1      LYS  13 -13.335   5.974 -12.895
  111   2HG   LYS  13           HG2      LYS  13 -12.238   7.251 -12.385
  112   1HD   LYS  13           HD1      LYS  13 -15.272   7.402 -12.343
  113   2HD   LYS  13           HD2      LYS  13 -14.223   8.206 -13.503
  114   1HE   LYS  13           HE1      LYS  13 -14.467   9.933 -11.985
  115   2HE   LYS  13           HE2      LYS  13 -13.082   9.126 -11.260
  116   1HZ   LYS  13           HZ1      LYS  13 -15.825   9.282 -10.344
  117   2HZ   LYS  13           HZ2      LYS  13 -14.383   9.155  -9.456
  118   3HZ   LYS  13           HZ3      LYS  13 -15.077   7.769 -10.153
  119    HA   PRO  14           HA       PRO  14 -11.484   3.546  -6.801
  120   1HB   PRO  14           HB1      PRO  14  -9.395   4.324  -6.198
  121   2HB   PRO  14           HB2      PRO  14 -10.165   5.800  -5.618
  122   1HG   PRO  14           HG1      PRO  14  -8.405   5.595  -7.837
  123   2HG   PRO  14           HG2      PRO  14  -9.391   6.998  -7.419
  124   1HD   PRO  14           HD1      PRO  14 -10.591   6.623  -9.337
  125   2HD   PRO  14           HD2      PRO  14  -9.754   5.081  -9.594
  126    H    SER  15           HN       SER  15 -11.632   7.089  -6.488
  127    HA   SER  15           HA       SER  15 -13.085   7.535  -4.279
  128   1HB   SER  15           HB1      SER  15 -12.545   9.272  -6.079
  129   2HB   SER  15           HB2      SER  15 -14.184   9.458  -5.424
  130    HG   SER  15           HG1      SER  15 -15.015   8.644  -7.213
  131    H    MET  16           HN       MET  16 -14.669   6.556  -7.311
  132    HA   MET  16           HA       MET  16 -17.284   6.388  -6.157
  133   1HB   MET  16           HB1      MET  16 -17.574   4.736  -8.206
  134   2HB   MET  16           HB2      MET  16 -15.930   5.225  -8.609
  135   1HG   MET  16           HG1      MET  16 -16.635   7.591  -8.537
  136   2HG   MET  16           HG2      MET  16 -18.267   7.089  -8.183
  137   1HE   MET  16           HE1      MET  16 -18.832   8.726 -11.421
  138   2HE   MET  16           HE2      MET  16 -18.609   8.895  -9.680
  139   3HE   MET  16           HE3      MET  16 -19.893   7.861 -10.308
  140    H    LEU  17           HN       LEU  17 -14.808   3.890  -6.783
  141    HA   LEU  17           HA       LEU  17 -16.377   1.789  -5.591
  142   1HB   LEU  17           HB1      LEU  17 -13.342   1.827  -5.753
  143   2HB   LEU  17           HB2      LEU  17 -14.303   1.649  -7.200
  144    HG   LEU  17           HG       LEU  17 -13.529  -0.548  -6.212
  145   1HD1  LEU  17          HD11      LEU  17 -14.399  -1.366  -4.161
  146   2HD1  LEU  17          HD12      LEU  17 -15.554  -0.055  -4.025
  147   3HD1  LEU  17          HD13      LEU  17 -13.838   0.261  -3.812
  148   1HD2  LEU  17          HD21      LEU  17 -15.514  -1.715  -6.700
  149   2HD2  LEU  17          HD22      LEU  17 -15.714  -0.211  -7.580
  150   3HD2  LEU  17          HD23      LEU  17 -16.546  -0.449  -6.055
  151    H    LYS  18           HN       LYS  18 -13.437   3.440  -4.468
  152    HA   LYS  18           HA       LYS  18 -13.038   2.550  -1.965
  153   1HB   LYS  18           HB1      LYS  18 -12.598   4.995  -1.289
  154   2HB   LYS  18           HB2      LYS  18 -13.225   5.451  -2.869
  155   1HG   LYS  18           HG1      LYS  18 -11.524   4.060  -3.973
  156   2HG   LYS  18           HG2      LYS  18 -10.910   3.538  -2.411
  157   1HD   LYS  18           HD1      LYS  18 -10.984   6.422  -3.371
  158   2HD   LYS  18           HD2      LYS  18  -9.555   5.395  -3.396
  159   1HE   LYS  18           HE1      LYS  18 -10.211   5.070  -0.814
  160   2HE   LYS  18           HE2      LYS  18 -10.949   6.645  -1.066
  161   1HZ   LYS  18           HZ1      LYS  18  -8.125   5.871  -1.248
  162   2HZ   LYS  18           HZ2      LYS  18  -8.832   7.190  -0.444
  163   3HZ   LYS  18           HZ3      LYS  18  -8.689   7.204  -2.137
  164    H    LYS  19           HN       LYS  19 -15.646   4.818  -2.782
  165    HA   LYS  19           HA       LYS  19 -16.641   4.850  -0.070
  166   1HB   LYS  19           HB1      LYS  19 -18.658   5.968  -1.212
  167   2HB   LYS  19           HB2      LYS  19 -17.833   5.726  -2.745
  168   1HG   LYS  19           HG1      LYS  19 -16.331   7.411  -2.349
  169   2HG   LYS  19           HG2      LYS  19 -16.164   7.009  -0.650
  170   1HD   LYS  19           HD1      LYS  19 -17.229   9.194  -0.857
  171   2HD   LYS  19           HD2      LYS  19 -18.401   8.047  -0.224
  172   1HE   LYS  19           HE1      LYS  19 -19.761   8.454  -1.977
  173   2HE   LYS  19           HE2      LYS  19 -18.497   7.946  -3.089
  174   1HZ   LYS  19           HZ1      LYS  19 -19.254  10.231  -3.467
  175   2HZ   LYS  19           HZ2      LYS  19 -17.599  10.148  -3.095
  176   3HZ   LYS  19           HZ3      LYS  19 -18.711  10.660  -1.916
  177    H    HIS  20           HN       HIS  20 -17.499   3.187  -3.059
  178    HA   HIS  20           HA       HIS  20 -19.892   1.962  -2.182
  179   1HB   HIS  20           HB1      HIS  20 -17.712   0.857  -3.999
  180   2HB   HIS  20           HB2      HIS  20 -19.089   1.815  -4.537
  181    HD1  HIS  20           HD1      HIS  20 -21.072   0.391  -5.072
  182    HD2  HIS  20           HD2      HIS  20 -18.448  -1.647  -2.726
  183    HE1  HIS  20           HE1      HIS  20 -22.004  -1.863  -4.860
  184    H    ILE  21           HN       ILE  21 -16.581   0.662  -2.153
  185    HA   ILE  21           HA       ILE  21 -17.234  -1.708  -0.750
  186    HB   ILE  21           HB       ILE  21 -15.067  -1.367  -1.901
  187   1HG1  ILE  21          HG11      ILE  21 -15.264  -2.314   0.875
  188   2HG1  ILE  21          HG12      ILE  21 -13.642  -1.794   0.450
  189   1HG2  ILE  21          HG21      ILE  21 -13.352   0.120  -0.845
  190   2HG2  ILE  21          HG22      ILE  21 -14.523   0.605   0.377
  191   3HG2  ILE  21          HG23      ILE  21 -14.783   1.027  -1.311
  192   1HD1  ILE  21           HD1      ILE  21 -13.646  -3.252  -1.505
  193   2HD1  ILE  21           HD2      ILE  21 -15.330  -3.682  -1.222
  194   3HD1  ILE  21           HD3      ILE  21 -14.086  -4.202  -0.089
  195    NH1  ARG  22           NH2      ARG  22 -12.942   4.658   5.150
  196    NH2  ARG  22           NH1      ARG  22 -12.922   6.627   3.992
  197    H    ARG  22           HN       ARG  22 -16.600   1.557   0.406
  198    HA   ARG  22           HA       ARG  22 -16.340   0.798   3.188
  199   1HB   ARG  22           HB1      ARG  22 -17.087   3.311   3.475
  200   2HB   ARG  22           HB2      ARG  22 -16.992   3.377   1.720
  201   1HG   ARG  22           HG1      ARG  22 -14.643   2.432   1.912
  202   2HG   ARG  22           HG2      ARG  22 -14.767   2.671   3.651
  203   1HD   ARG  22           HD1      ARG  22 -15.377   5.110   3.125
  204   2HD   ARG  22           HD2      ARG  22 -14.844   4.779   1.477
  205    HE   ARG  22           HE       ARG  22 -12.589   4.329   2.385
  206   1HH1  ARG  22          HH21      ARG  22 -13.053   3.663   5.146
  207   2HH1  ARG  22          HH22      ARG  22 -12.744   5.136   6.005
  208   1HH2  ARG  22          HH11      ARG  22 -13.015   7.111   3.121
  209   2HH2  ARG  22          HH12      ARG  22 -12.722   7.139   4.828
  210    H    THR  23           HN       THR  23 -19.037   1.083   1.073
  211    HA   THR  23           HA       THR  23 -21.024   1.627   3.108
  212    HB   THR  23           HB       THR  23 -21.461   0.105   0.471
  213    HG1  THR  23           HG1      THR  23 -20.903   2.785   1.153
  214   1HG2  THR  23          HG21      THR  23 -23.114   2.103   2.122
  215   2HG2  THR  23          HG22      THR  23 -23.465   0.383   1.986
  216   3HG2  THR  23          HG23      THR  23 -23.618   1.428   0.577
  217    H    HIS  24           HN       HIS  24 -19.454  -1.303   1.992
  218    HA   HIS  24           HA       HIS  24 -21.408  -3.081   3.209
  219   1HB   HIS  24           HB1      HIS  24 -19.437  -4.762   2.992
  220   2HB   HIS  24           HB2      HIS  24 -18.518  -3.441   2.277
  221    HD1  HIS  24           HD1      HIS  24 -21.849  -5.080   1.615
  222    HD2  HIS  24           HD2      HIS  24 -18.810  -3.297  -0.430
  223    HE1  HIS  24           HE1      HIS  24 -22.433  -5.299  -0.779
  224    H    THR  25           HN       THR  25 -19.856  -0.832   4.724
  225    HA   THR  25           HA       THR  25 -18.565  -2.397   6.857
  226    HB   THR  25           HB       THR  25 -18.287  -0.010   7.833
  227    HG1  THR  25           HG1      THR  25 -18.959   1.595   6.349
  228   1HG2  THR  25          HG21      THR  25 -16.431  -0.641   6.386
  229   2HG2  THR  25          HG22      THR  25 -17.007   0.883   5.720
  230   3HG2  THR  25          HG23      THR  25 -17.467  -0.638   4.962
  231    H    ASP  26           HN       ASP  26 -20.163   0.347   7.938
  232    HA   ASP  26           HA       ASP  26 -22.535  -1.144   8.863
  233   1HB   ASP  26           HB1      ASP  26 -22.109  -0.447  11.229
  234   2HB   ASP  26           HB2      ASP  26 -20.595   0.305  10.733
  235    H    VAL  27           HN       VAL  27 -21.848   1.065   7.076
  236    HA   VAL  27           HA       VAL  27 -23.130   3.377   8.420
  237    HB   VAL  27           HB       VAL  27 -21.072   3.788   7.125
  238   1HG1  VAL  27          HG11      VAL  27 -22.602   2.668   4.762
  239   2HG1  VAL  27          HG12      VAL  27 -21.302   1.846   5.603
  240   3HG1  VAL  27          HG13      VAL  27 -20.971   3.326   4.719
  241   1HG2  VAL  27          HG21      VAL  27 -22.932   4.946   5.166
  242   2HG2  VAL  27          HG22      VAL  27 -21.859   5.757   6.303
  243   3HG2  VAL  27          HG23      VAL  27 -23.441   5.198   6.833
  244    NH1  ARG  28           NH2      ARG  28 -25.267  -3.812   2.569
  245    NH2  ARG  28           NH1      ARG  28 -23.492  -4.019   3.994
  246    H    ARG  28           HN       ARG  28 -24.765   1.228   7.997
  247    HA   ARG  28           HA       ARG  28 -26.574   2.082   5.780
  248   1HB   ARG  28           HB1      ARG  28 -27.500  -0.317   6.209
  249   2HB   ARG  28           HB2      ARG  28 -26.038  -0.568   7.152
  250   1HG   ARG  28           HG1      ARG  28 -24.874   0.415   4.974
  251   2HG   ARG  28           HG2      ARG  28 -26.343  -0.169   4.202
  252   1HD   ARG  28           HD1      ARG  28 -25.953  -2.399   5.326
  253   2HD   ARG  28           HD2      ARG  28 -24.390  -1.789   5.864
  254    HE   ARG  28           HE       ARG  28 -24.270  -1.346   3.168
  255   1HH1  ARG  28          HH21      ARG  28 -25.982  -3.239   2.169
  256   2HH1  ARG  28          HH22      ARG  28 -25.187  -4.772   2.300
  257   1HH2  ARG  28          HH11      ARG  28 -22.877  -3.599   4.662
  258   2HH2  ARG  28          HH12      ARG  28 -23.382  -4.982   3.749
  259    HA   PRO  29           HA       PRO  29 -28.697   3.154   9.772
  260   1HB   PRO  29           HB1      PRO  29 -29.039   5.410   9.528
  261   2HB   PRO  29           HB2      PRO  29 -30.249   5.113   8.279
  262   1HG   PRO  29           HG1      PRO  29 -27.508   6.052   7.944
  263   2HG   PRO  29           HG2      PRO  29 -28.760   5.885   6.712
  264   1HD   PRO  29           HD1      PRO  29 -27.806   3.972   5.929
  265   2HD   PRO  29           HD2      PRO  29 -26.454   4.232   7.044
  266    OH   TYR  30           OH       TYR  30 -32.488   7.149   3.779
  267    H    TYR  30           HN       TYR  30 -30.040   2.613   6.555
  268    HA   TYR  30           HA       TYR  30 -32.752   2.180   7.492
  269   1HB   TYR  30           HB1      TYR  30 -33.075   1.209   5.197
  270   2HB   TYR  30           HB2      TYR  30 -31.331   1.241   4.950
  271    HD1  TYR  30           HD1      TYR  30 -34.162   3.507   5.882
  272    HD2  TYR  30           HD2      TYR  30 -30.352   3.166   4.022
  273    HE1  TYR  30           HE1      TYR  30 -34.302   5.847   5.165
  274    HE2  TYR  30           HE2      TYR  30 -30.492   5.507   3.306
  275    HH   TYR  30           HH       TYR  30 -32.639   7.157   2.831
  276    H    HIS  31           HN       HIS  31 -33.407   0.512   8.688
  277    HA   HIS  31           HA       HIS  31 -32.100  -2.153   8.265
  278   1HB   HIS  31           HB1      HIS  31 -32.393  -2.555  10.709
  279   2HB   HIS  31           HB2      HIS  31 -33.106  -0.954  10.887
  280    HD1  HIS  31           HD1      HIS  31 -29.878  -2.413   9.784
  281    HD2  HIS  31           HD2      HIS  31 -31.294   1.045  11.363
  282    HE1  HIS  31           HE1      HIS  31 -27.901  -1.083  10.245
  283    H    CYS  32           HN       CYS  32 -33.424  -3.938   8.175
  284    HA   CYS  32           HA       CYS  32 -36.198  -3.480   7.566
  285   1HB   CYS  32           HB1      CYS  32 -34.539  -5.948   8.169
  286   2HB   CYS  32           HB2      CYS  32 -35.195  -5.442   6.634
  287    H    THR  33           HN       THR  33 -38.053  -4.080   8.739
  288    HA   THR  33           HA       THR  33 -37.790  -3.613  11.608
  289    HB   THR  33           HB       THR  33 -40.279  -4.420   9.977
  290    HG1  THR  33           HG1      THR  33 -40.166  -2.436   9.286
  291   1HG2  THR  33          HG21      THR  33 -39.787  -3.055  12.681
  292   2HG2  THR  33          HG22      THR  33 -40.807  -4.457  12.375
  293   3HG2  THR  33          HG23      THR  33 -41.308  -2.865  11.816
  294    OH   TYR  34           OH       TYR  34 -43.737  -6.820  10.433
  295    H    TYR  34           HN       TYR  34 -36.969  -6.187  10.006
  296    HA   TYR  34           HA       TYR  34 -37.818  -8.022  12.177
  297   1HB   TYR  34           HB1      TYR  34 -38.373  -9.789  10.494
  298   2HB   TYR  34           HB2      TYR  34 -38.026  -8.661   9.191
  299    HD1  TYR  34           HD2      TYR  34 -39.500  -6.672   8.845
  300    HD2  TYR  34           HD1      TYR  34 -40.453  -9.655  11.724
  301    HE1  TYR  34           HE2      TYR  34 -41.809  -5.850   8.935
  302    HE2  TYR  34           HE1      TYR  34 -42.760  -8.830  11.814
  303    HH   TYR  34           HH       TYR  34 -44.276  -7.389   9.878
  304    H    CYS  35           HN       CYS  35 -36.119  -8.314   9.065
  305    HA   CYS  35           HA       CYS  35 -34.103 -10.071  10.081
  306   1HB   CYS  35           HB1      CYS  35 -32.948  -9.640   7.988
  307   2HB   CYS  35           HB2      CYS  35 -33.778  -8.128   7.771
  308    H    ASN  36           HN       ASN  36 -31.764  -9.548  10.024
  309    HA   ASN  36           HA       ASN  36 -31.313  -7.039  11.552
  310   1HB   ASN  36           HB1      ASN  36 -29.219  -9.187  11.083
  311   2HB   ASN  36           HB2      ASN  36 -30.523  -9.504  12.225
  312   1HD2  ASN  36          HD21      ASN  36 -28.381  -9.485  13.652
  313   2HD2  ASN  36          HD22      ASN  36 -27.998  -7.992  14.362
  314    H    PHE  37           HN       PHE  37 -31.491  -7.745   8.505
  315    HA   PHE  37           HA       PHE  37 -28.890  -6.896   7.495
  316   1HB   PHE  37           HB1      PHE  37 -31.455  -6.822   5.887
  317   2HB   PHE  37           HB2      PHE  37 -30.787  -8.380   6.367
  318    HD1  PHE  37           HD2      PHE  37 -28.368  -8.903   5.728
  319    HD2  PHE  37           HD1      PHE  37 -30.492  -5.594   4.089
  320    HE1  PHE  37           HE2      PHE  37 -26.750  -8.773   3.886
  321    HE2  PHE  37           HE1      PHE  37 -28.868  -5.468   2.251
  322    HZ   PHE  37           HZ       PHE  37 -26.997  -7.056   2.148
  323    H    SER  38           HN       SER  38 -28.464  -4.957   6.387
  324    HA   SER  38           HA       SER  38 -30.416  -2.773   6.833
  325   1HB   SER  38           HB1      SER  38 -27.454  -2.371   7.324
  326   2HB   SER  38           HB2      SER  38 -28.513  -2.928   8.624
  327    HG   SER  38           HG1      SER  38 -29.794  -1.148   8.341
  328    H    PHE  39           HN       PHE  39 -30.323  -1.081   5.394
  329    HA   PHE  39           HA       PHE  39 -28.604  -1.573   2.998
  330   1HB   PHE  39           HB1      PHE  39 -30.433  -0.852   1.649
  331   2HB   PHE  39           HB2      PHE  39 -31.234  -0.062   3.004
  332    HD1  PHE  39           HD2      PHE  39 -32.199  -1.506   4.863
  333    HD2  PHE  39           HD1      PHE  39 -30.812  -3.175   1.198
  334    HE1  PHE  39           HE2      PHE  39 -33.435  -3.578   5.333
  335    HE2  PHE  39           HE1      PHE  39 -32.063  -5.234   1.665
  336    HZ   PHE  39           HZ       PHE  39 -33.376  -5.437   3.730
  337    H    LYS  40           HN       LYS  40 -27.978   0.291   1.791
  338    HA   LYS  40           HA       LYS  40 -27.266   2.534   3.564
  339   1HB   LYS  40           HB1      LYS  40 -26.537   1.797   0.694
  340   2HB   LYS  40           HB2      LYS  40 -25.544   1.542   2.111
  341   1HG   LYS  40           HG1      LYS  40 -26.357   4.233   0.948
  342   2HG   LYS  40           HG2      LYS  40 -24.748   3.526   0.923
  343   1HD   LYS  40           HD1      LYS  40 -25.064   3.412   3.529
  344   2HD   LYS  40           HD2      LYS  40 -26.268   4.661   3.246
  345   1HE   LYS  40           HE1      LYS  40 -23.305   4.760   2.855
  346   2HE   LYS  40           HE2      LYS  40 -24.387   5.992   3.492
  347   1HZ   LYS  40           HZ1      LYS  40 -23.948   5.230   0.671
  348   2HZ   LYS  40           HZ2      LYS  40 -23.727   6.748   1.401
  349   3HZ   LYS  40           HZ3      LYS  40 -25.296   6.141   1.162
  350    H    THR  41           HN       THR  41 -29.582   1.811   1.127
  351    HA   THR  41           HA       THR  41 -30.381   4.694   1.108
  352    HB   THR  41           HB       THR  41 -30.876   4.523  -1.322
  353    HG1  THR  41           HG1      THR  41 -30.760   1.912  -0.566
  354   1HG2  THR  41          HG21      THR  41 -28.368   4.766  -0.610
  355   2HG2  THR  41          HG22      THR  41 -28.629   4.090  -2.214
  356   3HG2  THR  41          HG23      THR  41 -28.236   3.029  -0.865
  357    H    LYS  42           HN       LYS  42 -32.597   5.086   0.714
  358    HA   LYS  42           HA       LYS  42 -34.324   3.221   2.024
  359   1HB   LYS  42           HB1      LYS  42 -34.866   5.729   0.378
  360   2HB   LYS  42           HB2      LYS  42 -34.787   5.621   2.133
  361   1HG   LYS  42           HG1      LYS  42 -36.695   3.804   1.772
  362   2HG   LYS  42           HG2      LYS  42 -36.944   4.685   0.271
  363   1HD   LYS  42           HD1      LYS  42 -37.164   6.795   1.547
  364   2HD   LYS  42           HD2      LYS  42 -36.922   5.910   3.049
  365   1HE   LYS  42           HE1      LYS  42 -38.946   4.619   2.682
  366   2HE   LYS  42           HE2      LYS  42 -39.144   5.308   1.075
  367   1HZ   LYS  42           HZ1      LYS  42 -38.919   7.363   2.998
  368   2HZ   LYS  42           HZ2      LYS  42 -40.147   6.282   3.452
  369   3HZ   LYS  42           HZ3      LYS  42 -40.195   7.031   1.929
  370    H    GLY  43           HN       GLY  43 -33.494   3.805  -1.294
  371   1HA   GLY  43           HA1      GLY  43 -34.068   2.593  -3.226
  372   2HA   GLY  43           HA2      GLY  43 -35.722   2.721  -2.633
  373    H    ASN  44           HN       ASN  44 -32.761   0.934  -1.794
  374    HA   ASN  44           HA       ASN  44 -33.730  -1.628  -2.372
  375   1HB   ASN  44           HB1      ASN  44 -31.978  -2.371  -0.656
  376   2HB   ASN  44           HB2      ASN  44 -31.745  -0.671  -0.265
  377   1HD2  ASN  44          HD21      ASN  44 -32.389  -1.967  -3.531
  378   2HD2  ASN  44          HD22      ASN  44 -30.893  -1.505  -4.186
  379    H    LEU  45           HN       LEU  45 -33.915   0.186   0.672
  380    HA   LEU  45           HA       LEU  45 -35.017  -1.797   2.305
  381   1HB   LEU  45           HB1      LEU  45 -35.882   1.144   2.215
  382   2HB   LEU  45           HB2      LEU  45 -34.391   0.604   2.958
  383    HG   LEU  45           HG       LEU  45 -36.034   0.878   4.714
  384   1HD1  LEU  45          HD11      LEU  45 -38.239   0.197   4.649
  385   2HD1  LEU  45          HD12      LEU  45 -37.918  -1.179   3.609
  386   3HD1  LEU  45          HD13      LEU  45 -37.973   0.437   2.929
  387   1HD2  LEU  45          HD21      LEU  45 -36.022  -2.120   4.345
  388   2HD2  LEU  45          HD22      LEU  45 -35.781  -1.175   5.806
  389   3HD2  LEU  45          HD23      LEU  45 -34.514  -1.253   4.591
  390    H    THR  46           HN       THR  46 -36.783   0.531   0.278
  391    HA   THR  46           HA       THR  46 -39.377  -0.489   0.771
  392    HB   THR  46           HB       THR  46 -38.325   0.732  -1.853
  393    HG1  THR  46           HG1      THR  46 -38.906   1.651   0.725
  394   1HG2  THR  46          HG21      THR  46 -40.699  -0.048  -2.003
  395   2HG2  THR  46          HG22      THR  46 -40.692   1.704  -1.833
  396   3HG2  THR  46          HG23      THR  46 -41.056   0.685  -0.444
  397    H    LYS  47           HN       LYS  47 -36.898  -1.525  -1.502
  398    HA   LYS  47           HA       LYS  47 -38.608  -3.325  -2.971
  399   1HB   LYS  47           HB1      LYS  47 -36.390  -4.331  -3.703
  400   2HB   LYS  47           HB2      LYS  47 -35.581  -3.281  -2.549
  401   1HG   LYS  47           HG1      LYS  47 -36.532  -1.296  -3.688
  402   2HG   LYS  47           HG2      LYS  47 -37.340  -2.349  -4.844
  403   1HD   LYS  47           HD1      LYS  47 -35.396  -2.821  -5.973
  404   2HD   LYS  47           HD2      LYS  47 -34.416  -2.786  -4.513
  405   1HE   LYS  47           HE1      LYS  47 -34.083  -0.863  -6.219
  406   2HE   LYS  47           HE2      LYS  47 -34.267  -0.422  -4.527
  407   1HZ   LYS  47           HZ1      LYS  47 -36.805  -0.600  -5.715
  408   2HZ   LYS  47           HZ2      LYS  47 -35.819   0.390  -6.680
  409   3HZ   LYS  47           HZ3      LYS  47 -36.041   0.756  -5.036
  410    H    HIS  48           HN       HIS  48 -36.566  -3.701  -0.110
  411    HA   HIS  48           HA       HIS  48 -36.882  -6.573   0.022
  412   1HB   HIS  48           HB1      HIS  48 -36.181  -4.504   2.167
  413   2HB   HIS  48           HB2      HIS  48 -35.035  -5.443   1.215
  414    HD1  HIS  48           HD1      HIS  48 -35.574  -8.159   1.579
  415    HD2  HIS  48           HD2      HIS  48 -36.691  -5.657   4.614
  416    HE1  HIS  48           HE1      HIS  48 -35.796  -9.588   3.554
  417    H    MET  49           HN       MET  49 -38.708  -3.838   1.218
  418    HA   MET  49           HA       MET  49 -40.430  -5.558   2.869
  419   1HB   MET  49           HB1      MET  49 -41.712  -3.335   3.136
  420   2HB   MET  49           HB2      MET  49 -40.466  -2.595   2.138
  421   1HG   MET  49           HG1      MET  49 -39.893  -2.287   4.466
  422   2HG   MET  49           HG2      MET  49 -38.746  -3.367   3.722
  423   1HE   MET  49           HE1      MET  49 -39.812  -2.561   6.839
  424   2HE   MET  49           HE2      MET  49 -40.832  -3.810   7.554
  425   3HE   MET  49           HE3      MET  49 -41.470  -2.775   6.277
  426    H    LYS  50           HN       LYS  50 -40.365  -4.284  -0.339
  427    HA   LYS  50           HA       LYS  50 -43.149  -4.300  -0.931
  428   1HB   LYS  50           HB1      LYS  50 -40.911  -5.119  -2.841
  429   2HB   LYS  50           HB2      LYS  50 -41.209  -3.443  -2.400
  430   1HG   LYS  50           HG1      LYS  50 -43.447  -3.524  -3.320
  431   2HG   LYS  50           HG2      LYS  50 -43.333  -5.262  -3.573
  432   1HD   LYS  50           HD1      LYS  50 -41.772  -5.025  -5.334
  433   2HD   LYS  50           HD2      LYS  50 -41.344  -3.386  -4.854
  434   1HE   LYS  50           HE1      LYS  50 -43.581  -2.590  -5.510
  435   2HE   LYS  50           HE2      LYS  50 -44.053  -4.229  -5.940
  436   1HZ   LYS  50           HZ1      LYS  50 -41.873  -3.999  -7.402
  437   2HZ   LYS  50           HZ2      LYS  50 -42.324  -2.362  -7.351
  438   3HZ   LYS  50           HZ3      LYS  50 -43.404  -3.523  -7.961
  439    H    SER  51           HN       SER  51 -40.715  -6.867  -1.106
  440    HA   SER  51           HA       SER  51 -42.426  -8.851  -2.244
  441   1HB   SER  51           HB1      SER  51 -40.074  -9.235  -0.309
  442   2HB   SER  51           HB2      SER  51 -39.922  -9.086  -2.071
  443    HG   SER  51           HG1      SER  51 -40.915 -11.163  -0.535
  444    H    LYS  52           HN       LYS  52 -43.113 -10.851  -1.047
  445    HA   LYS  52           HA       LYS  52 -44.672  -9.995   1.305
  446   1HB   LYS  52           HB1      LYS  52 -45.655 -12.348   1.037
  447   2HB   LYS  52           HB2      LYS  52 -44.603 -12.556  -0.358
  448   1HG   LYS  52           HG1      LYS  52 -46.484 -11.733  -1.429
  449   2HG   LYS  52           HG2      LYS  52 -45.679 -10.212  -1.060
  450   1HD   LYS  52           HD1      LYS  52 -47.002 -10.033   1.035
  451   2HD   LYS  52           HD2      LYS  52 -47.821 -11.540   0.638
  452   1HE   LYS  52           HE1      LYS  52 -47.801  -9.217  -1.294
  453   2HE   LYS  52           HE2      LYS  52 -49.002  -9.323  -0.013
  454   1HZ   LYS  52           HZ1      LYS  52 -49.588 -11.543  -0.859
  455   2HZ   LYS  52           HZ2      LYS  52 -48.518 -11.312  -2.157
  456   3HZ   LYS  52           HZ3      LYS  52 -49.875 -10.304  -1.985
  457    H    ALA  53           HN       ALA  53 -41.679 -10.540   1.331
  458    HA   ALA  53           HA       ALA  53 -40.938 -12.868   2.633
  459   1HB   ALA  53           HB1      ALA  53 -39.244 -11.443   3.852
  460   2HB   ALA  53           HB2      ALA  53 -40.126 -10.005   3.347
  461   3HB   ALA  53           HB3      ALA  53 -39.346 -11.025   2.143
  462    H    HIS  54           HN       HIS  54 -41.389 -10.011   4.670
  463    HA   HIS  54           HA       HIS  54 -43.290 -11.502   6.344
  464   1HB   HIS  54           HB1      HIS  54 -41.463 -12.196   7.582
  465   2HB   HIS  54           HB2      HIS  54 -41.677 -10.622   8.329
  466    HD1  HIS  54           HD1      HIS  54 -39.343 -12.502   6.323
  467    HD2  HIS  54           HD2      HIS  54 -39.797  -8.565   7.346
  468    HE1  HIS  54           HE1      HIS  54 -37.171 -11.461   5.905
  469    H    SER  55           HN       SER  55 -44.772  -9.946   5.814
  470    HA   SER  55           HA       SER  55 -44.421  -7.386   7.292
  471   1HB   SER  55           HB1      SER  55 -45.362  -6.135   5.365
  472   2HB   SER  55           HB2      SER  55 -45.571  -7.645   4.457
  473    HG   SER  55           HG1      SER  55 -43.159  -6.487   5.401
  474    H    LYS  56           HN       LYS  56 -45.752  -8.931   8.688
  475    HA   LYS  56           HA       LYS  56 -48.516  -9.374   7.895
  476   1HB   LYS  56           HB1      LYS  56 -48.681  -9.916  10.454
  477   2HB   LYS  56           HB2      LYS  56 -46.937  -9.675  10.479
  478   1HG   LYS  56           HG1      LYS  56 -46.660 -11.394   8.733
  479   2HG   LYS  56           HG2      LYS  56 -48.404 -11.617   8.662
  480   1HD   LYS  56           HD1      LYS  56 -48.396 -12.286  11.060
  481   2HD   LYS  56           HD2      LYS  56 -46.644 -12.113  11.087
  482   1HE   LYS  56           HE1      LYS  56 -46.369 -13.878   9.462
  483   2HE   LYS  56           HE2      LYS  56 -48.100 -13.934   9.149
  484   1HZ   LYS  56           HZ1      LYS  56 -47.656 -15.714  10.567
  485   2HZ   LYS  56           HZ2      LYS  56 -48.336 -14.526  11.572
  486   3HZ   LYS  56           HZ3      LYS  56 -46.657 -14.788  11.581
  487    H    LYS  57           HN       LYS  57 -48.351  -6.845   7.407
  488    HA   LYS  57           HA       LYS  57 -50.055  -5.633   9.431
  489   1HB   LYS  57           HB1      LYS  57 -47.549  -4.147   8.562
  490   2HB   LYS  57           HB2      LYS  57 -47.569  -5.146  10.012
  491   1HG   LYS  57           HG1      LYS  57 -49.089  -3.748  11.113
  492   2HG   LYS  57           HG2      LYS  57 -49.731  -3.094   9.610
  493   1HD   LYS  57           HD1      LYS  57 -47.735  -1.789   9.236
  494   2HD   LYS  57           HD2      LYS  57 -46.894  -2.595  10.557
  495   1HE   LYS  57           HE1      LYS  57 -48.614  -1.677  12.140
  496   2HE   LYS  57           HE2      LYS  57 -49.314  -0.778  10.799
  497   1HZ   LYS  57           HZ1      LYS  57 -47.670   0.433  12.254
  498   2HZ   LYS  57           HZ2      LYS  57 -47.404   0.519  10.579
  499   3HZ   LYS  57                 LYS  57 -46.463  -0.523  11.535
   
  Start of MODEL          20
 Raw file had 499 H/Q atoms
  Start of MODEL   20
    1   1H    LYS   1           HT1      LYS   1  -7.334  -1.991  -9.864
    2   2H    LYS   1           HT2      LYS   1  -7.038  -3.590 -10.356
    3   3H    LYS   1           HT3      LYS   1  -7.659  -3.278  -8.807
    4    HA   LYS   1           HA       LYS   1  -9.081  -2.551 -11.299
    5   1HB   LYS   1           HB1      LYS   1  -9.071  -4.929 -11.424
    6   2HB   LYS   1           HB2      LYS   1 -10.543  -4.610 -10.516
    7   1HG   LYS   1           HG1      LYS   1  -9.658  -6.085  -9.013
    8   2HG   LYS   1           HG2      LYS   1  -8.693  -4.709  -8.494
    9   1HD   LYS   1           HD1      LYS   1  -6.967  -5.384 -10.226
   10   2HD   LYS   1           HD2      LYS   1  -7.901  -6.850 -10.493
   11   1HE   LYS   1           HE1      LYS   1  -6.782  -5.980  -7.808
   12   2HE   LYS   1           HE2      LYS   1  -6.047  -7.187  -8.854
   13   1HZ   LYS   1           HZ1      LYS   1  -8.030  -8.529  -8.672
   14   2HZ   LYS   1           HZ2      LYS   1  -8.773  -7.355  -7.696
   15   3HZ   LYS   1           HZ3      LYS   1  -7.407  -8.190  -7.129
   16    OH   TYR   2           OH       TYR   2  -7.481   2.452  -8.636
   17    H    TYR   2           HN       TYR   2 -11.539  -2.778 -10.618
   18    HA   TYR   2           HA       TYR   2 -11.971  -1.790  -7.863
   19   1HB   TYR   2           HB1      TYR   2 -13.185   0.220  -8.733
   20   2HB   TYR   2           HB2      TYR   2 -12.717  -0.218 -10.373
   21    HD1  TYR   2           HD2      TYR   2 -11.371   0.760  -7.053
   22    HD2  TYR   2           HD1      TYR   2 -10.534   0.305 -11.197
   23    HE1  TYR   2           HE2      TYR   2  -9.247   1.947  -6.755
   24    HE2  TYR   2           HE1      TYR   2  -8.404   1.481 -10.897
   25    HH   TYR   2           HH       TYR   2  -7.671   3.383  -8.511
   26    H    ILE   3           HN       ILE   3 -12.812  -4.185  -8.798
   27    HA   ILE   3           HA       ILE   3 -15.726  -3.780  -9.342
   28    HB   ILE   3           HB       ILE   3 -14.168  -6.355  -9.780
   29   1HG1  ILE   3          HG11      ILE   3 -12.972  -4.737 -11.097
   30   2HG1  ILE   3          HG12      ILE   3 -14.464  -3.977 -11.640
   31   1HG2  ILE   3          HG21      ILE   3 -16.787  -6.098  -9.802
   32   2HG2  ILE   3          HG22      ILE   3 -16.046  -6.926 -11.167
   33   3HG2  ILE   3          HG23      ILE   3 -16.550  -5.246 -11.326
   34   1HD1  ILE   3           HD1      ILE   3 -13.290  -5.647 -13.256
   35   2HD1  ILE   3           HD2      ILE   3 -15.030  -5.803 -13.030
   36   3HD1  ILE   3           HD3      ILE   3 -13.932  -6.896 -12.193
   37    H    CYS   4           HN       CYS   4 -16.817  -3.952  -7.435
   38    HA   CYS   4           HA       CYS   4 -15.824  -5.228  -5.129
   39   1HB   CYS   4           HB1      CYS   4 -18.684  -4.776  -6.022
   40   2HB   CYS   4           HB2      CYS   4 -17.753  -3.757  -4.965
   41    H    GLU   5           HN       GLU   5 -15.250  -7.239  -4.936
   42    HA   GLU   5           HA       GLU   5 -16.040  -9.349  -6.647
   43   1HB   GLU   5           HB1      GLU   5 -15.039 -10.820  -4.839
   44   2HB   GLU   5           HB2      GLU   5 -14.936  -9.402  -3.802
   45   1HG   GLU   5           HG1      GLU   5 -12.778  -9.708  -4.888
   46   2HG   GLU   5           HG2      GLU   5 -13.544  -8.285  -5.589
   47    H    GLU   6           HN       GLU   6 -17.701  -7.931  -4.011
   48    HA   GLU   6           HA       GLU   6 -19.294 -10.316  -3.480
   49   1HB   GLU   6           HB1      GLU   6 -19.954  -7.544  -2.470
   50   2HB   GLU   6           HB2      GLU   6 -18.570  -8.399  -1.807
   51   1HG   GLU   6           HG1      GLU   6 -21.318  -9.660  -1.975
   52   2HG   GLU   6           HG2      GLU   6 -20.789  -8.736  -0.571
   53    H    CYS   7           HN       CYS   7 -20.244  -6.970  -4.272
   54    HA   CYS   7           HA       CYS   7 -22.753  -7.928  -5.417
   55   1HB   CYS   7           HB1      CYS   7 -23.246  -5.614  -5.779
   56   2HB   CYS   7           HB2      CYS   7 -21.566  -5.171  -5.791
   57    H    GLY   8           HN       GLY   8 -19.866  -6.302  -6.673
   58   1HA   GLY   8           HA1      GLY   8 -20.489  -7.447  -9.365
   59   2HA   GLY   8           HA2      GLY   8 -18.858  -7.130  -8.781
   60    H    ILE   9           HN       ILE   9 -20.200  -4.580  -7.554
   61    HA   ILE   9           HA       ILE   9 -21.035  -2.918  -9.672
   62    HB   ILE   9           HB       ILE   9 -21.031  -2.490  -7.082
   63   1HG1  ILE   9          HG11      ILE   9 -20.296  -0.345  -9.103
   64   2HG1  ILE   9          HG12      ILE   9 -20.825   0.013  -7.467
   65   1HG2  ILE   9          HG21      ILE   9 -18.385  -1.124  -7.761
   66   2HG2  ILE   9          HG22      ILE   9 -18.430  -2.734  -7.063
   67   3HG2  ILE   9          HG23      ILE   9 -19.093  -1.379  -6.178
   68   1HD1  ILE   9           HD1      ILE   9 -22.426  -0.686  -9.782
   69   2HD1  ILE   9           HD2      ILE   9 -22.960  -0.118  -8.206
   70   3HD1  ILE   9           HD3      ILE   9 -22.717  -1.836  -8.486
   71    NH1  ARG  10           NH2      ARG  10 -19.787  -4.281 -16.046
   72    NH2  ARG  10           NH1      ARG  10 -18.256  -4.380 -17.740
   73    H    ARG  10           HN       ARG  10 -19.991  -2.063 -11.350
   74    HA   ARG  10           HA       ARG  10 -17.020  -2.287 -11.386
   75   1HB   ARG  10           HB1      ARG  10 -18.938  -1.691 -13.689
   76   2HB   ARG  10           HB2      ARG  10 -18.455  -3.318 -13.236
   77   1HG   ARG  10           HG1      ARG  10 -16.002  -2.311 -13.450
   78   2HG   ARG  10           HG2      ARG  10 -16.808  -1.126 -14.470
   79   1HD   ARG  10           HD1      ARG  10 -16.961  -4.141 -14.835
   80   2HD   ARG  10           HD2      ARG  10 -15.973  -3.049 -15.802
   81    HE   ARG  10           HE       ARG  10 -18.327  -1.930 -16.279
   82   1HH1  ARG  10          HH21      ARG  10 -20.101  -3.851 -15.200
   83   2HH1  ARG  10          HH22      ARG  10 -20.301  -5.044 -16.440
   84   1HH2  ARG  10          HH11      ARG  10 -17.424  -4.024 -18.164
   85   2HH2  ARG  10          HH12      ARG  10 -18.745  -5.144 -18.163
   86    H    ABA  11           HN       ABU  11 -16.158  -0.477 -10.545
   87    HA   ABA  11           HA       ABU  11 -17.071   2.135 -11.709
   88   1HB   ABA  11           HB1      ABU  11 -16.538   3.181  -9.558
   89   2HB   ABA  11           HB2      ABU  11 -15.890   1.681  -8.932
   90   1HG   ABA  11           HG1      ABU  11 -18.185   0.658  -9.256
   91   2HG   ABA  11           HG2      ABU  11 -18.780   2.268  -9.637
   92   3HG   ABA  11           HG3      ABU  11 -18.125   1.924  -8.039
   93    H    LYS  12           HN       LYS  12 -15.546   2.502 -13.200
   94    HA   LYS  12           HA       LYS  12 -12.823   1.735 -13.010
   95   1HB   LYS  12           HB1      LYS  12 -12.539   3.467 -14.874
   96   2HB   LYS  12           HB2      LYS  12 -14.231   3.888 -14.641
   97   1HG   LYS  12           HG1      LYS  12 -14.949   1.662 -15.233
   98   2HG   LYS  12           HG2      LYS  12 -13.296   1.058 -15.202
   99   1HD   LYS  12           HD1      LYS  12 -12.723   2.570 -17.091
  100   2HD   LYS  12           HD2      LYS  12 -14.389   3.135 -17.133
  101   1HE   LYS  12           HE1      LYS  12 -15.208   1.047 -17.868
  102   2HE   LYS  12           HE2      LYS  12 -13.770   0.189 -17.328
  103   1HZ   LYS  12           HZ1      LYS  12 -14.038   0.613 -19.801
  104   2HZ   LYS  12           HZ2      LYS  12 -12.532   0.978 -19.106
  105   3HZ   LYS  12           HZ3      LYS  12 -13.630   2.225 -19.458
  106    H    LYS  13           HN       LYS  13 -14.180   3.717 -10.896
  107    HA   LYS  13           HA       LYS  13 -11.724   5.391 -10.697
  108   1HB   LYS  13           HB1      LYS  13 -13.338   7.172  -9.699
  109   2HB   LYS  13           HB2      LYS  13 -14.633   6.193 -10.381
  110   1HG   LYS  13           HG1      LYS  13 -13.631   6.397 -12.622
  111   2HG   LYS  13           HG2      LYS  13 -12.295   7.328 -11.954
  112   1HD   LYS  13           HD1      LYS  13 -13.766   9.134 -11.324
  113   2HD   LYS  13           HD2      LYS  13 -15.195   8.171 -11.685
  114   1HE   LYS  13           HE1      LYS  13 -14.937   8.397 -13.980
  115   2HE   LYS  13           HE2      LYS  13 -13.191   8.577 -13.871
  116   1HZ   LYS  13           HZ1      LYS  13 -14.250  10.728 -12.520
  117   2HZ   LYS  13           HZ2      LYS  13 -15.196  10.575 -13.922
  118   3HZ   LYS  13           HZ3      LYS  13 -13.510  10.740 -14.049
  119    HA   PRO  14           HA       PRO  14 -11.498   3.760  -6.557
  120   1HB   PRO  14           HB1      PRO  14  -9.466   4.668  -5.960
  121   2HB   PRO  14           HB2      PRO  14 -10.316   6.099  -5.376
  122   1HG   PRO  14           HG1      PRO  14  -8.573   5.985  -7.617
  123   2HG   PRO  14           HG2      PRO  14  -9.638   7.328  -7.196
  124   1HD   PRO  14           HD1      PRO  14 -10.823   6.868  -9.107
  125   2HD   PRO  14           HD2      PRO  14  -9.915   5.362  -9.348
  126    H    SER  15           HN       SER  15 -11.891   7.281  -6.158
  127    HA   SER  15           HA       SER  15 -13.365   7.482  -3.895
  128   1HB   SER  15           HB1      SER  15 -12.851   9.353  -5.620
  129   2HB   SER  15           HB2      SER  15 -14.445   9.481  -4.850
  130    HG   SER  15           HG1      SER  15 -15.243   9.231  -6.771
  131    H    MET  16           HN       MET  16 -14.711   6.395  -6.989
  132    HA   MET  16           HA       MET  16 -17.406   6.169  -5.957
  133   1HB   MET  16           HB1      MET  16 -17.592   4.602  -8.053
  134   2HB   MET  16           HB2      MET  16 -15.939   5.105  -8.395
  135   1HG   MET  16           HG1      MET  16 -17.504   6.554  -9.564
  136   2HG   MET  16           HG2      MET  16 -16.630   7.452  -8.353
  137   1HE   MET  16           HE1      MET  16 -19.920   6.275  -9.764
  138   2HE   MET  16           HE2      MET  16 -19.383   7.914 -10.132
  139   3HE   MET  16           HE3      MET  16 -20.876   7.657  -9.230
  140    H    LEU  17           HN       LEU  17 -14.976   3.674  -6.812
  141    HA   LEU  17           HA       LEU  17 -16.449   1.537  -5.627
  142   1HB   LEU  17           HB1      LEU  17 -13.417   1.652  -5.732
  143   2HB   LEU  17           HB2      LEU  17 -14.339   1.522  -7.210
  144    HG   LEU  17           HG       LEU  17 -13.583  -0.706  -6.336
  145   1HD1  LEU  17          HD11      LEU  17 -15.571  -0.320  -4.090
  146   2HD1  LEU  17          HD12      LEU  17 -13.859   0.029  -3.900
  147   3HD1  LEU  17          HD13      LEU  17 -14.387  -1.601  -4.292
  148   1HD2  LEU  17          HD21      LEU  17 -16.579  -0.734  -6.072
  149   2HD2  LEU  17          HD22      LEU  17 -15.521  -1.820  -6.961
  150   3HD2  LEU  17          HD23      LEU  17 -15.869  -0.218  -7.590
  151    H    LYS  18           HN       LYS  18 -13.584   3.266  -4.474
  152    HA   LYS  18           HA       LYS  18 -13.166   2.332  -1.970
  153   1HB   LYS  18           HB1      LYS  18 -13.499   5.320  -2.509
  154   2HB   LYS  18           HB2      LYS  18 -12.120   4.395  -3.090
  155   1HG   LYS  18           HG1      LYS  18 -12.834   4.211  -0.184
  156   2HG   LYS  18           HG2      LYS  18 -12.016   5.659  -0.756
  157   1HD   LYS  18           HD1      LYS  18 -10.943   2.994  -1.610
  158   2HD   LYS  18           HD2      LYS  18 -10.625   3.532   0.036
  159   1HE   LYS  18           HE1      LYS  18  -9.468   5.467  -0.698
  160   2HE   LYS  18           HE2      LYS  18 -10.136   5.358  -2.320
  161   1HZ   LYS  18           HZ1      LYS  18  -8.476   3.162  -1.309
  162   2HZ   LYS  18           HZ2      LYS  18  -7.725   4.588  -1.846
  163   3HZ   LYS  18           HZ3      LYS  18  -8.707   3.696  -2.905
  164    H    LYS  19           HN       LYS  19 -15.734   4.691  -2.729
  165    HA   LYS  19           HA       LYS  19 -16.745   4.678  -0.043
  166   1HB   LYS  19           HB1      LYS  19 -18.791   5.733  -1.184
  167   2HB   LYS  19           HB2      LYS  19 -17.956   5.503  -2.716
  168   1HG   LYS  19           HG1      LYS  19 -16.003   6.794  -1.717
  169   2HG   LYS  19           HG2      LYS  19 -17.057   7.194  -0.366
  170   1HD   LYS  19           HD1      LYS  19 -18.687   8.195  -1.952
  171   2HD   LYS  19           HD2      LYS  19 -17.598   7.828  -3.285
  172   1HE   LYS  19           HE1      LYS  19 -15.866   9.137  -1.695
  173   2HE   LYS  19           HE2      LYS  19 -17.355   9.903  -1.155
  174   1HZ   LYS  19           HZ1      LYS  19 -15.903  10.407  -3.478
  175   2HZ   LYS  19           HZ2      LYS  19 -17.353  11.130  -2.970
  176   3HZ   LYS  19           HZ3      LYS  19 -17.393   9.744  -3.950
  177    H    HIS  20           HN       HIS  20 -17.595   2.969  -3.006
  178    HA   HIS  20           HA       HIS  20 -19.956   1.711  -2.076
  179   1HB   HIS  20           HB1      HIS  20 -17.829   0.695  -4.008
  180   2HB   HIS  20           HB2      HIS  20 -19.271   1.601  -4.456
  181    HD1  HIS  20           HD1      HIS  20 -21.215   0.095  -4.925
  182    HD2  HIS  20           HD2      HIS  20 -18.389  -1.859  -2.747
  183    HE1  HIS  20           HE1      HIS  20 -22.024  -2.210  -4.722
  184    H    ILE  21           HN       ILE  21 -16.591   0.519  -2.056
  185    HA   ILE  21           HA       ILE  21 -17.191  -1.926  -0.756
  186    HB   ILE  21           HB       ILE  21 -14.916  -0.930  -1.827
  187   1HG1  ILE  21          HG11      ILE  21 -15.127  -2.959   0.426
  188   2HG1  ILE  21          HG12      ILE  21 -13.680  -2.745  -0.552
  189   1HG2  ILE  21          HG21      ILE  21 -13.314  -0.243  -0.161
  190   2HG2  ILE  21          HG22      ILE  21 -14.335  -0.778   1.167
  191   3HG2  ILE  21          HG23      ILE  21 -14.760   0.651   0.247
  192   1HD1  ILE  21           HD1      ILE  21 -14.577  -4.123  -2.105
  193   2HD1  ILE  21           HD2      ILE  21 -15.861  -2.952  -2.375
  194   3HD1  ILE  21           HD3      ILE  21 -16.072  -4.230  -1.186
  195    NH1  ARG  22           NH2      ARG  22 -13.113   3.325   4.985
  196    NH2  ARG  22           NH1      ARG  22 -11.466   3.385   3.404
  197    H    ARG  22           HN       ARG  22 -16.759   1.306   0.521
  198    HA   ARG  22           HA       ARG  22 -16.530   0.441   3.297
  199   1HB   ARG  22           HB1      ARG  22 -17.267   2.944   3.648
  200   2HB   ARG  22           HB2      ARG  22 -17.147   3.074   1.897
  201   1HG   ARG  22           HG1      ARG  22 -14.806   2.352   1.969
  202   2HG   ARG  22           HG2      ARG  22 -14.914   2.091   3.707
  203   1HD   ARG  22           HD1      ARG  22 -15.256   4.454   4.112
  204   2HD   ARG  22           HD2      ARG  22 -15.429   4.778   2.387
  205    HE   ARG  22           HE       ARG  22 -13.087   4.955   2.344
  206   1HH1  ARG  22          HH21      ARG  22 -14.043   3.566   5.262
  207   2HH1  ARG  22          HH22      ARG  22 -12.522   2.814   5.609
  208   1HH2  ARG  22          HH11      ARG  22 -11.159   3.671   2.496
  209   2HH2  ARG  22          HH12      ARG  22 -10.846   2.875   4.003
  210    H    THR  23           HN       THR  23 -19.172   0.878   1.110
  211    HA   THR  23           HA       THR  23 -21.179   1.352   3.118
  212    HB   THR  23           HB       THR  23 -21.522  -0.005   0.371
  213    HG1  THR  23           HG1      THR  23 -21.963   2.256  -0.139
  214   1HG2  THR  23          HG21      THR  23 -23.715  -0.048   1.305
  215   2HG2  THR  23          HG22      THR  23 -23.690   1.618   0.746
  216   3HG2  THR  23          HG23      THR  23 -23.365   1.252   2.436
  217    H    HIS  24           HN       HIS  24 -19.459  -1.492   2.184
  218    HA   HIS  24           HA       HIS  24 -21.518  -3.349   3.130
  219   1HB   HIS  24           HB1      HIS  24 -19.453  -4.966   3.089
  220   2HB   HIS  24           HB2      HIS  24 -18.574  -3.612   2.386
  221    HD1  HIS  24           HD1      HIS  24 -21.734  -5.507   1.625
  222    HD2  HIS  24           HD2      HIS  24 -18.815  -3.440  -0.326
  223    HE1  HIS  24           HE1      HIS  24 -22.227  -5.766  -0.781
  224    H    THR  25           HN       THR  25 -20.151  -1.116   4.817
  225    HA   THR  25           HA       THR  25 -19.177  -2.799   7.060
  226    HB   THR  25           HB       THR  25 -18.520  -0.489   7.973
  227    HG1  THR  25           HG1      THR  25 -20.038   0.080   5.720
  228   1HG2  THR  25          HG21      THR  25 -16.818  -1.527   6.496
  229   2HG2  THR  25          HG22      THR  25 -16.985   0.159   6.018
  230   3HG2  THR  25          HG23      THR  25 -17.765  -1.104   5.073
  231    H    ASP  26           HN       ASP  26 -20.361   0.192   7.948
  232    HA   ASP  26           HA       ASP  26 -23.097  -0.664   8.520
  233   1HB   ASP  26           HB1      ASP  26 -22.634  -0.091  11.050
  234   2HB   ASP  26           HB2      ASP  26 -20.940  -0.365  10.650
  235    H    VAL  27           HN       VAL  27 -21.683   1.366   7.072
  236    HA   VAL  27           HA       VAL  27 -22.297   3.827   8.615
  237    HB   VAL  27           HB       VAL  27 -20.118   3.679   7.457
  238   1HG1  VAL  27          HG11      VAL  27 -20.888   2.095   5.680
  239   2HG1  VAL  27          HG12      VAL  27 -19.965   3.442   5.036
  240   3HG1  VAL  27          HG13      VAL  27 -21.717   3.423   4.892
  241   1HG2  VAL  27          HG21      VAL  27 -20.215   5.885   6.959
  242   2HG2  VAL  27          HG22      VAL  27 -21.952   5.784   7.219
  243   3HG2  VAL  27          HG23      VAL  27 -21.292   5.598   5.598
  244    NH1  ARG  28           NH2      ARG  28 -25.784  -1.119   8.095
  245    NH2  ARG  28           NH1      ARG  28 -25.181  -2.632   6.493
  246    H    ARG  28           HN       ARG  28 -24.535   2.415   7.929
  247    HA   ARG  28           HA       ARG  28 -25.734   3.974   5.677
  248   1HB   ARG  28           HB1      ARG  28 -27.476   2.066   5.809
  249   2HB   ARG  28           HB2      ARG  28 -26.350   1.257   6.890
  250   1HG   ARG  28           HG1      ARG  28 -24.655   1.899   4.882
  251   2HG   ARG  28           HG2      ARG  28 -26.147   1.741   3.963
  252   1HD   ARG  28           HD1      ARG  28 -24.981  -0.433   4.091
  253   2HD   ARG  28           HD2      ARG  28 -26.511  -0.505   4.962
  254    HE   ARG  28           HE       ARG  28 -23.983   0.040   6.452
  255   1HH1  ARG  28          HH21      ARG  28 -25.828  -0.168   8.401
  256   2HH1  ARG  28          HH22      ARG  28 -26.141  -1.849   8.677
  257   1HH2  ARG  28          HH11      ARG  28 -24.773  -2.816   5.598
  258   2HH2  ARG  28          HH12      ARG  28 -25.528  -3.388   7.048
  259    HA   PRO  29           HA       PRO  29 -27.725   5.562   9.555
  260   1HB   PRO  29           HB1      PRO  29 -27.202   7.794   9.449
  261   2HB   PRO  29           HB2      PRO  29 -28.349   8.011   8.126
  262   1HG   PRO  29           HG1      PRO  29 -25.445   7.953   7.983
  263   2HG   PRO  29           HG2      PRO  29 -26.589   8.258   6.675
  264   1HD   PRO  29           HD1      PRO  29 -26.263   6.165   5.843
  265   2HD   PRO  29           HD2      PRO  29 -25.008   5.907   7.066
  266    OH   TYR  30           OH       TYR  30 -29.731  11.023   3.363
  267    H    TYR  30           HN       TYR  30 -28.862   5.839   6.205
  268    HA   TYR  30           HA       TYR  30 -31.616   6.332   6.851
  269   1HB   TYR  30           HB1      TYR  30 -32.008   5.442   4.490
  270   2HB   TYR  30           HB2      TYR  30 -30.303   5.009   4.427
  271    HD1  TYR  30           HD1      TYR  30 -32.555   7.922   5.065
  272    HD2  TYR  30           HD2      TYR  30 -28.718   6.629   3.759
  273    HE1  TYR  30           HE1      TYR  30 -31.998  10.221   4.423
  274    HE2  TYR  30           HE2      TYR  30 -28.161   8.929   3.120
  275    HH   TYR  30           HH       TYR  30 -30.501  11.405   2.935
  276    H    HIS  31           HN       HIS  31 -32.484   4.975   8.357
  277    HA   HIS  31           HA       HIS  31 -32.396   2.035   7.793
  278   1HB   HIS  31           HB1      HIS  31 -33.416   2.149  10.289
  279   2HB   HIS  31           HB2      HIS  31 -32.616   3.718  10.281
  280    HD1  HIS  31           HD1      HIS  31 -31.867   0.438  11.075
  281    HD2  HIS  31           HD2      HIS  31 -29.766   3.344   9.179
  282    HE1  HIS  31           HE1      HIS  31 -29.548  -0.264  11.232
  283    H    CYS  32           HN       CYS  32 -34.259   0.901   7.433
  284    HA   CYS  32           HA       CYS  32 -36.605   2.274   6.606
  285   1HB   CYS  32           HB1      CYS  32 -35.986  -0.580   7.404
  286   2HB   CYS  32           HB2      CYS  32 -36.384   0.042   5.826
  287    H    THR  33           HN       THR  33 -38.706   2.321   7.586
  288    HA   THR  33           HA       THR  33 -38.526   2.877  10.467
  289    HB   THR  33           HB       THR  33 -40.793   3.130   8.404
  290    HG1  THR  33           HG1      THR  33 -39.885   5.018   8.224
  291   1HG2  THR  33          HG21      THR  33 -42.066   3.069  10.417
  292   2HG2  THR  33          HG22      THR  33 -41.532   4.745  10.461
  293   3HG2  THR  33          HG23      THR  33 -40.685   3.527  11.409
  294    OH   TYR  34           OH       TYR  34 -45.071   2.128   8.939
  295    H    TYR  34           HN       TYR  34 -38.473   0.102   9.156
  296    HA   TYR  34           HA       TYR  34 -40.215  -1.142  11.186
  297   1HB   TYR  34           HB1      TYR  34 -41.261  -2.646   9.474
  298   2HB   TYR  34           HB2      TYR  34 -40.407  -1.782   8.199
  299    HD1  TYR  34           HD2      TYR  34 -40.976   0.618   7.739
  300    HD2  TYR  34           HD1      TYR  34 -43.230  -1.701  10.502
  301    HE1  TYR  34           HE2      TYR  34 -42.804   2.249   7.621
  302    HE2  TYR  34           HE1      TYR  34 -45.051  -0.063  10.387
  303    HH   TYR  34           HH       TYR  34 -45.495   2.158   9.800
  304    H    CYS  35           HN       CYS  35 -38.528  -2.246   8.257
  305    HA   CYS  35           HA       CYS  35 -37.459  -4.595   9.461
  306   1HB   CYS  35           HB1      CYS  35 -36.005  -4.699   7.512
  307   2HB   CYS  35           HB2      CYS  35 -36.172  -2.991   7.228
  308    H    ASN  36           HN       ASN  36 -34.897  -4.812   9.138
  309    HA   ASN  36           HA       ASN  36 -33.705  -2.774  10.975
  310   1HB   ASN  36           HB1      ASN  36 -32.887  -5.689  10.506
  311   2HB   ASN  36           HB2      ASN  36 -33.883  -5.150  11.855
  312   1HD2  ASN  36          HD21      ASN  36 -32.767  -3.110  13.034
  313   2HD2  ASN  36          HD22      ASN  36 -31.116  -3.316  13.373
  314    H    PHE  37           HN       PHE  37 -33.903  -3.421   7.872
  315    HA   PHE  37           HA       PHE  37 -31.070  -3.479   7.140
  316   1HB   PHE  37           HB1      PHE  37 -33.293  -2.735   5.233
  317   2HB   PHE  37           HB2      PHE  37 -33.224  -4.386   5.842
  318    HD1  PHE  37           HD2      PHE  37 -30.963  -5.639   5.605
  319    HD2  PHE  37           HD1      PHE  37 -31.880  -2.074   3.462
  320    HE1  PHE  37           HE2      PHE  37 -29.191  -6.153   3.985
  321    HE2  PHE  37           HE1      PHE  37 -30.106  -2.594   1.843
  322    HZ   PHE  37           HZ       PHE  37 -28.761  -4.633   2.105
  323    H    SER  38           HN       SER  38 -30.087  -1.803   5.836
  324    HA   SER  38           HA       SER  38 -31.329   0.865   6.102
  325   1HB   SER  38           HB1      SER  38 -28.467   0.317   7.007
  326   2HB   SER  38           HB2      SER  38 -29.832   0.390   8.133
  327    HG   SER  38           HG1      SER  38 -30.253   2.459   7.488
  328    H    PHE  39           HN       PHE  39 -30.014   2.540   4.952
  329    HA   PHE  39           HA       PHE  39 -28.495   1.362   2.669
  330   1HB   PHE  39           HB1      PHE  39 -29.810   2.646   1.115
  331   2HB   PHE  39           HB2      PHE  39 -30.494   3.635   2.407
  332    HD1  PHE  39           HD2      PHE  39 -32.139   2.626   4.007
  333    HD2  PHE  39           HD1      PHE  39 -30.747   0.468   0.609
  334    HE1  PHE  39           HE2      PHE  39 -33.972   1.014   4.274
  335    HE2  PHE  39           HE1      PHE  39 -32.599  -1.124   0.866
  336    HZ   PHE  39           HZ       PHE  39 -34.217  -0.846   2.693
  337    H    LYS  40           HN       LYS  40 -27.105   2.862   1.586
  338    HA   LYS  40           HA       LYS  40 -25.918   4.798   3.458
  339   1HB   LYS  40           HB1      LYS  40 -25.158   3.820   0.663
  340   2HB   LYS  40           HB2      LYS  40 -24.452   3.294   2.177
  341   1HG   LYS  40           HG1      LYS  40 -24.234   6.074   0.973
  342   2HG   LYS  40           HG2      LYS  40 -22.945   4.891   1.115
  343   1HD   LYS  40           HD1      LYS  40 -23.524   4.936   3.662
  344   2HD   LYS  40           HD2      LYS  40 -24.281   6.477   3.293
  345   1HE   LYS  40           HE1      LYS  40 -21.401   5.719   3.248
  346   2HE   LYS  40           HE2      LYS  40 -22.146   7.248   3.692
  347   1HZ   LYS  40           HZ1      LYS  40 -22.652   7.546   1.283
  348   2HZ   LYS  40           HZ2      LYS  40 -21.670   6.197   0.966
  349   3HZ   LYS  40           HZ3      LYS  40 -21.001   7.586   1.677
  350    H    THR  41           HN       THR  41 -28.103   4.828   0.833
  351    HA   THR  41           HA       THR  41 -27.904   7.807   0.760
  352    HB   THR  41           HB       THR  41 -27.986   7.812  -1.656
  353    HG1  THR  41           HG1      THR  41 -28.309   5.402  -2.410
  354   1HG2  THR  41          HG21      THR  41 -25.809   6.682  -0.680
  355   2HG2  THR  41          HG22      THR  41 -26.179   6.313  -2.360
  356   3HG2  THR  41          HG23      THR  41 -26.567   5.149  -1.098
  357    H    LYS  42           HN       LYS  42 -29.800   8.889   0.139
  358    HA   LYS  42           HA       LYS  42 -32.170   7.763   1.255
  359   1HB   LYS  42           HB1      LYS  42 -31.554  10.239  -0.392
  360   2HB   LYS  42           HB2      LYS  42 -31.947  10.153   1.318
  361   1HG   LYS  42           HG1      LYS  42 -34.222   9.156   0.510
  362   2HG   LYS  42           HG2      LYS  42 -33.783   9.835  -1.055
  363   1HD   LYS  42           HD1      LYS  42 -33.492  12.063   0.004
  364   2HD   LYS  42           HD2      LYS  42 -33.964  11.380   1.555
  365   1HE   LYS  42           HE1      LYS  42 -35.891  10.708  -0.526
  366   2HE   LYS  42           HE2      LYS  42 -35.685  12.449  -0.384
  367   1HZ   LYS  42           HZ1      LYS  42 -37.319  11.053   1.149
  368   2HZ   LYS  42           HZ2      LYS  42 -36.566  12.484   1.666
  369   3HZ   LYS  42           HZ3      LYS  42 -35.920  10.975   2.107
  370    H    GLY  43           HN       GLY  43 -30.748   7.611  -1.845
  371   1HA   GLY  43           HA1      GLY  43 -31.494   6.663  -3.861
  372   2HA   GLY  43           HA2      GLY  43 -33.080   7.324  -3.475
  373    H    ASN  44           HN       ASN  44 -30.917   4.609  -2.793
  374    HA   ASN  44           HA       ASN  44 -32.687   2.551  -3.267
  375   1HB   ASN  44           HB1      ASN  44 -31.335   1.264  -1.500
  376   2HB   ASN  44           HB2      ASN  44 -30.528   2.782  -1.119
  377   1HD2  ASN  44          HD21      ASN  44 -28.593   1.379  -1.924
  378   2HD2  ASN  44          HD22      ASN  44 -28.258   1.432  -3.588
  379    H    LEU  45           HN       LEU  45 -32.512   4.566  -0.407
  380    HA   LEU  45           HA       LEU  45 -34.211   2.981   1.249
  381   1HB   LEU  45           HB1      LEU  45 -33.716   6.005   1.130
  382   2HB   LEU  45           HB2      LEU  45 -32.874   4.856   2.148
  383    HG   LEU  45           HG       LEU  45 -34.446   5.891   3.601
  384   1HD1  LEU  45          HD11      LEU  45 -36.462   6.761   2.994
  385   2HD1  LEU  45          HD12      LEU  45 -36.942   5.317   2.117
  386   3HD1  LEU  45          HD13      LEU  45 -35.915   6.509   1.344
  387   1HD2  LEU  45          HD21      LEU  45 -34.393   3.337   3.598
  388   2HD2  LEU  45          HD22      LEU  45 -35.921   3.386   2.733
  389   3HD2  LEU  45          HD23      LEU  45 -35.805   4.072   4.346
  390    H    THR  46           HN       THR  46 -34.923   5.726  -0.893
  391    HA   THR  46           HA       THR  46 -37.724   5.784  -0.475
  392    HB   THR  46           HB       THR  46 -36.066   6.444  -2.984
  393    HG1  THR  46           HG1      THR  46 -37.207   7.942  -0.845
  394   1HG2  THR  46          HG21      THR  46 -38.994   6.770  -2.253
  395   2HG2  THR  46          HG22      THR  46 -38.286   6.537  -3.849
  396   3HG2  THR  46          HG23      THR  46 -38.207   8.115  -3.071
  397    H    LYS  47           HN       LYS  47 -35.737   3.775  -2.569
  398    HA   LYS  47           HA       LYS  47 -37.897   2.667  -4.096
  399   1HB   LYS  47           HB1      LYS  47 -36.191   0.756  -4.444
  400   2HB   LYS  47           HB2      LYS  47 -35.116   1.644  -3.370
  401   1HG   LYS  47           HG1      LYS  47 -35.145   3.576  -4.853
  402   2HG   LYS  47           HG2      LYS  47 -36.362   2.821  -5.874
  403   1HD   LYS  47           HD1      LYS  47 -34.708   0.927  -6.261
  404   2HD   LYS  47           HD2      LYS  47 -33.498   1.919  -5.455
  405   1HE   LYS  47           HE1      LYS  47 -34.796   2.300  -8.117
  406   2HE   LYS  47           HE2      LYS  47 -33.137   2.618  -7.628
  407   1HZ   LYS  47           HZ1      LYS  47 -33.768   4.604  -6.571
  408   2HZ   LYS  47           HZ2      LYS  47 -35.423   4.241  -6.683
  409   3HZ   LYS  47           HZ3      LYS  47 -34.541   4.617  -8.084
  410    H    HIS  48           HN       HIS  48 -36.294   1.589  -1.109
  411    HA   HIS  48           HA       HIS  48 -37.720  -0.858  -0.840
  412   1HB   HIS  48           HB1      HIS  48 -36.659   1.044   1.314
  413   2HB   HIS  48           HB2      HIS  48 -35.777  -0.299   0.595
  414    HD1  HIS  48           HD1      HIS  48 -37.589  -2.551   0.819
  415    HD2  HIS  48           HD2      HIS  48 -37.535   0.247   3.800
  416    HE1  HIS  48           HE1      HIS  48 -38.500  -3.683   2.788
  417    H    MET  49           HN       MET  49 -38.559   2.438   0.064
  418    HA   MET  49           HA       MET  49 -40.959   1.671   1.502
  419   1HB   MET  49           HB1      MET  49 -41.490   4.154   1.246
  420   2HB   MET  49           HB2      MET  49 -40.045   4.308   0.253
  421   1HG   MET  49           HG1      MET  49 -39.614   4.914   2.604
  422   2HG   MET  49           HG2      MET  49 -38.643   3.567   2.073
  423   1HE   MET  49           HE1      MET  49 -39.272   4.776   5.004
  424   2HE   MET  49           HE2      MET  49 -40.545   3.952   5.905
  425   3HE   MET  49           HE3      MET  49 -40.964   5.039   4.580
  426    H    LYS  50           HN       LYS  50 -40.188   2.539  -1.806
  427    HA   LYS  50           HA       LYS  50 -42.685   3.099  -2.889
  428   1HB   LYS  50           HB1      LYS  50 -40.689   1.172  -4.163
  429   2HB   LYS  50           HB2      LYS  50 -40.413   2.907  -4.091
  430   1HG   LYS  50           HG1      LYS  50 -43.078   2.082  -5.113
  431   2HG   LYS  50           HG2      LYS  50 -41.719   1.665  -6.148
  432   1HD   LYS  50           HD1      LYS  50 -40.943   4.039  -6.042
  433   2HD   LYS  50           HD2      LYS  50 -42.358   4.436  -5.073
  434   1HE   LYS  50           HE1      LYS  50 -42.212   3.628  -7.969
  435   2HE   LYS  50           HE2      LYS  50 -43.075   4.977  -7.244
  436   1HZ   LYS  50           HZ1      LYS  50 -44.429   3.152  -6.091
  437   2HZ   LYS  50           HZ2      LYS  50 -43.808   2.127  -7.293
  438   3HZ   LYS  50           HZ3      LYS  50 -44.736   3.481  -7.728
  439    H    SER  51           HN       SER  51 -41.277  -0.178  -2.722
  440    HA   SER  51           HA       SER  51 -43.518  -1.617  -3.563
  441   1HB   SER  51           HB1      SER  51 -41.957  -2.700  -1.213
  442   2HB   SER  51           HB2      SER  51 -41.070  -2.371  -2.714
  443    HG   SER  51           HG1      SER  51 -41.921  -4.224  -3.290
  444    H    LYS  52           HN       LYS  52 -45.196  -2.698  -2.446
  445    HA   LYS  52           HA       LYS  52 -46.379  -1.073  -0.340
  446   1HB   LYS  52           HB1      LYS  52 -48.015  -3.233  -0.443
  447   2HB   LYS  52           HB2      LYS  52 -47.158  -3.512  -1.950
  448   1HG   LYS  52           HG1      LYS  52 -48.504  -0.875  -1.234
  449   2HG   LYS  52           HG2      LYS  52 -49.272  -2.131  -2.189
  450   1HD   LYS  52           HD1      LYS  52 -48.291  -1.257  -4.025
  451   2HD   LYS  52           HD2      LYS  52 -46.733  -1.738  -3.374
  452   1HE   LYS  52           HE1      LYS  52 -46.768   0.682  -3.866
  453   2HE   LYS  52           HE2      LYS  52 -46.583   0.401  -2.140
  454   1HZ   LYS  52           HZ1      LYS  52 -49.310   0.495  -2.696
  455   2HZ   LYS  52           HZ2      LYS  52 -48.591   1.827  -3.468
  456   3HZ   LYS  52           HZ3      LYS  52 -48.384   1.600  -1.798
  457    H    ALA  53           HN       ALA  53 -43.834  -2.625   0.119
  458    HA   ALA  53           HA       ALA  53 -44.069  -4.835   1.764
  459   1HB   ALA  53           HB1      ALA  53 -41.899  -3.729   1.245
  460   2HB   ALA  53           HB2      ALA  53 -42.062  -3.931   2.986
  461   3HB   ALA  53           HB3      ALA  53 -42.341  -2.355   2.253
  462    H    HIS  54           HN       HIS  54 -43.588  -1.742   3.414
  463    HA   HIS  54           HA       HIS  54 -46.057  -2.069   4.935
  464   1HB   HIS  54           HB1      HIS  54 -44.886  -3.494   6.355
  465   2HB   HIS  54           HB2      HIS  54 -44.450  -1.958   7.090
  466    HD1  HIS  54           HD1      HIS  54 -42.967  -4.818   5.530
  467    HD2  HIS  54           HD2      HIS  54 -41.799  -0.948   6.140
  468    HE1  HIS  54           HE1      HIS  54 -40.531  -4.823   5.290
  469    H    SER  55           HN       SER  55 -46.569  -0.007   4.302
  470    HA   SER  55           HA       SER  55 -45.221   2.115   5.847
  471   1HB   SER  55           HB1      SER  55 -43.954   2.401   3.829
  472   2HB   SER  55           HB2      SER  55 -45.319   3.500   3.549
  473    HG   SER  55           HG1      SER  55 -44.898   0.881   2.600
  474    H    LYS  56           HN       LYS  56 -47.391   1.771   6.840
  475    HA   LYS  56           HA       LYS  56 -49.736   2.622   5.341
  476   1HB   LYS  56           HB1      LYS  56 -50.786   2.598   7.676
  477   2HB   LYS  56           HB2      LYS  56 -49.198   2.193   8.318
  478   1HG   LYS  56           HG1      LYS  56 -49.142   0.114   7.122
  479   2HG   LYS  56           HG2      LYS  56 -50.526   0.566   6.134
  480   1HD   LYS  56           HD1      LYS  56 -51.177  -1.012   7.936
  481   2HD   LYS  56           HD2      LYS  56 -51.979   0.543   8.121
  482   1HE   LYS  56           HE1      LYS  56 -50.879  -0.517  10.227
  483   2HE   LYS  56           HE2      LYS  56 -50.585   1.188   9.914
  484   1HZ   LYS  56           HZ1      LYS  56 -48.616  -0.336  10.463
  485   2HZ   LYS  56           HZ2      LYS  56 -48.451   0.780   9.194
  486   3HZ   LYS  56           HZ3      LYS  56 -48.752  -0.857   8.852
  487    H    LYS  57           HN       LYS  57 -47.825   4.570   5.056
  488    HA   LYS  57           HA       LYS  57 -47.833   6.682   6.897
  489   1HB   LYS  57           HB1      LYS  57 -47.471   8.127   4.797
  490   2HB   LYS  57           HB2      LYS  57 -47.732   6.668   3.849
  491   1HG   LYS  57           HG1      LYS  57 -45.910   5.645   5.460
  492   2HG   LYS  57           HG2      LYS  57 -45.474   7.330   5.721
  493   1HD   LYS  57           HD1      LYS  57 -45.425   7.559   3.165
  494   2HD   LYS  57           HD2      LYS  57 -45.498   5.801   3.107
  495   1HE   LYS  57           HE1      LYS  57 -43.180   6.240   3.079
  496   2HE   LYS  57           HE2      LYS  57 -43.498   5.884   4.773
  497   1HZ   LYS  57           HZ1      LYS  57 -43.948   8.516   4.685
  498   2HZ   LYS  57           HZ2      LYS  57 -42.720   8.366   3.522
  499   3HZ   LYS  57                 LYS  57 -42.461   7.815   5.106
   
  Start of MODEL          21
 Raw file had 499 H/Q atoms
  Start of MODEL   21
    1   1H    LYS   1           HT1      LYS   1  -9.186  -2.044 -11.138
    2   2H    LYS   1           HT2      LYS   1 -10.242  -2.722 -12.283
    3   3H    LYS   1           HT3      LYS   1  -8.623  -3.229 -12.216
    4    HA   LYS   1           HA       LYS   1 -10.285  -4.789 -11.222
    5   1HB   LYS   1           HB1      LYS   1  -8.824  -5.288  -9.290
    6   2HB   LYS   1           HB2      LYS   1  -8.153  -3.664  -9.337
    7   1HG   LYS   1           HG1      LYS   1  -8.009  -5.242 -11.866
    8   2HG   LYS   1           HG2      LYS   1  -6.964  -5.771 -10.553
    9   1HD   LYS   1           HD1      LYS   1  -7.067  -2.842 -11.221
   10   2HD   LYS   1           HD2      LYS   1  -6.135  -3.915 -12.256
   11   1HE   LYS   1           HE1      LYS   1  -4.789  -4.667 -10.390
   12   2HE   LYS   1           HE2      LYS   1  -5.821  -3.828  -9.240
   13   1HZ   LYS   1           HZ1      LYS   1  -4.370  -2.402 -11.382
   14   2HZ   LYS   1           HZ2      LYS   1  -3.674  -2.707  -9.864
   15   3HZ   LYS   1           HZ3      LYS   1  -5.076  -1.757  -9.979
   16    OH   TYR   2           OH       TYR   2  -7.988   2.407  -9.373
   17    H    TYR   2           HN       TYR   2 -11.614  -2.240 -11.035
   18    HA   TYR   2           HA       TYR   2 -12.247  -1.991  -8.148
   19   1HB   TYR   2           HB1      TYR   2 -13.592  -0.030  -8.903
   20   2HB   TYR   2           HB2      TYR   2 -13.273  -0.455 -10.582
   21    HD1  TYR   2           HD2      TYR   2 -11.615   0.545  -7.404
   22    HD2  TYR   2           HD1      TYR   2 -11.232   0.195 -11.624
   23    HE1  TYR   2           HE2      TYR   2  -9.507   1.796  -7.316
   24    HE2  TYR   2           HE1      TYR   2  -9.125   1.444 -11.538
   25    HH   TYR   2           HH       TYR   2  -7.733   2.496  -8.451
   26    H    ILE   3           HN       ILE   3 -12.987  -4.423  -9.155
   27    HA   ILE   3           HA       ILE   3 -15.931  -4.222  -9.611
   28    HB   ILE   3           HB       ILE   3 -14.136  -6.688  -9.777
   29   1HG1  ILE   3          HG11      ILE   3 -13.301  -4.952 -11.330
   30   2HG1  ILE   3          HG12      ILE   3 -14.917  -4.767 -12.001
   31   1HG2  ILE   3          HG21      ILE   3 -15.985  -7.615 -11.051
   32   2HG2  ILE   3          HG22      ILE   3 -16.752  -6.038 -11.214
   33   3HG2  ILE   3          HG23      ILE   3 -16.714  -6.843  -9.650
   34   1HD1  ILE   3           HD1      ILE   3 -14.879  -6.904 -12.992
   35   2HD1  ILE   3           HD2      ILE   3 -13.616  -7.487 -11.916
   36   3HD1  ILE   3           HD3      ILE   3 -13.220  -6.360 -13.210
   37    H    CYS   4           HN       CYS   4 -16.767  -3.995  -7.497
   38    HA   CYS   4           HA       CYS   4 -15.771  -5.187  -5.176
   39   1HB   CYS   4           HB1      CYS   4 -18.618  -4.600  -6.010
   40   2HB   CYS   4           HB2      CYS   4 -17.614  -3.673  -4.935
   41    H    GLU   5           HN       GLU   5 -15.280  -7.198  -4.821
   42    HA   GLU   5           HA       GLU   5 -16.131  -9.411  -6.339
   43   1HB   GLU   5           HB1      GLU   5 -15.168 -10.768  -4.476
   44   2HB   GLU   5           HB2      GLU   5 -15.159  -9.340  -3.446
   45   1HG   GLU   5           HG1      GLU   5 -13.425  -8.330  -4.636
   46   2HG   GLU   5           HG2      GLU   5 -13.800  -9.198  -6.122
   47    H    GLU   6           HN       GLU   6 -17.730  -7.812  -3.712
   48    HA   GLU   6           HA       GLU   6 -19.428 -10.088  -3.107
   49   1HB   GLU   6           HB1      GLU   6 -20.050  -7.235  -2.325
   50   2HB   GLU   6           HB2      GLU   6 -18.700  -8.066  -1.565
   51   1HG   GLU   6           HG1      GLU   6 -21.459  -9.304  -1.706
   52   2HG   GLU   6           HG2      GLU   6 -20.973  -8.261  -0.373
   53    H    CYS   7           HN       CYS   7 -20.255  -6.799  -4.190
   54    HA   CYS   7           HA       CYS   7 -22.749  -7.795  -5.346
   55   1HB   CYS   7           HB1      CYS   7 -23.233  -5.506  -5.801
   56   2HB   CYS   7           HB2      CYS   7 -21.550  -5.064  -5.826
   57    H    GLY   8           HN       GLY   8 -19.892  -6.109  -6.615
   58   1HA   GLY   8           HA1      GLY   8 -20.417  -7.397  -9.267
   59   2HA   GLY   8           HA2      GLY   8 -18.803  -7.069  -8.647
   60    H    ILE   9           HN       ILE   9 -20.150  -4.481  -7.537
   61    HA   ILE   9           HA       ILE   9 -20.932  -2.873  -9.712
   62    HB   ILE   9           HB       ILE   9 -20.959  -2.394  -7.128
   63   1HG1  ILE   9          HG11      ILE   9 -20.510  -0.471  -9.378
   64   2HG1  ILE   9          HG12      ILE   9 -20.527   0.163  -7.736
   65   1HG2  ILE   9          HG21      ILE   9 -19.051  -1.196  -6.250
   66   2HG2  ILE   9          HG22      ILE   9 -18.334  -0.993  -7.839
   67   3HG2  ILE   9          HG23      ILE   9 -18.353  -2.575  -7.073
   68   1HD1  ILE   9           HD1      ILE   9 -22.748  -0.478  -7.369
   69   2HD1  ILE   9           HD2      ILE   9 -22.690  -1.741  -8.595
   70   3HD1  ILE   9           HD3      ILE   9 -22.790  -0.050  -9.077
   71    NH1  ARG  10           NH1      ARG  10 -15.463  -5.958 -15.661
   72    NH2  ARG  10           NH2      ARG  10 -17.273  -6.598 -14.422
   73    H    ARG  10           HN       ARG  10 -19.868  -2.066 -11.387
   74    HA   ARG  10           HA       ARG  10 -16.899  -2.276 -11.384
   75   1HB   ARG  10           HB1      ARG  10 -18.832  -1.774 -13.698
   76   2HB   ARG  10           HB2      ARG  10 -18.265  -3.368 -13.223
   77   1HG   ARG  10           HG1      ARG  10 -15.889  -2.006 -13.437
   78   2HG   ARG  10           HG2      ARG  10 -16.846  -1.218 -14.683
   79   1HD   ARG  10           HD1      ARG  10 -15.660  -3.180 -15.603
   80   2HD   ARG  10           HD2      ARG  10 -17.402  -3.433 -15.648
   81    HE   ARG  10           HE       ARG  10 -16.299  -4.478 -13.202
   82   1HH1  ARG  10          HH11      ARG  10 -14.789  -5.255 -15.894
   83   2HH1  ARG  10          HH12      ARG  10 -15.435  -6.847 -16.118
   84   1HH2  ARG  10          HH21      ARG  10 -17.957  -6.377 -13.728
   85   2HH2  ARG  10          HH22      ARG  10 -17.277  -7.498 -14.859
   86    H    ABA  11           HN       ABU  11 -16.183  -0.423 -10.445
   87    HA   ABA  11           HA       ABU  11 -17.089   2.157 -11.685
   88   1HB   ABA  11           HB1      ABU  11 -16.420   3.204  -9.546
   89   2HB   ABA  11           HB2      ABU  11 -15.872   1.657  -8.933
   90   1HG   ABA  11           HG1      ABU  11 -18.260   0.810  -9.345
   91   2HG   ABA  11           HG2      ABU  11 -18.709   2.497  -9.578
   92   3HG   ABA  11           HG3      ABU  11 -18.069   1.961  -8.028
   93    H    LYS  12           HN       LYS  12 -15.615   2.505 -13.225
   94    HA   LYS  12           HA       LYS  12 -12.886   1.781 -13.111
   95   1HB   LYS  12           HB1      LYS  12 -12.651   3.390 -15.020
   96   2HB   LYS  12           HB2      LYS  12 -14.257   4.013 -14.668
   97   1HG   LYS  12           HG1      LYS  12 -14.502   1.180 -14.798
   98   2HG   LYS  12           HG2      LYS  12 -13.512   1.646 -16.173
   99   1HD   LYS  12           HD1      LYS  12 -16.136   3.029 -15.513
  100   2HD   LYS  12           HD2      LYS  12 -16.034   1.640 -16.584
  101   1HE   LYS  12           HE1      LYS  12 -14.471   2.841 -18.051
  102   2HE   LYS  12           HE2      LYS  12 -14.490   4.227 -16.970
  103   1HZ   LYS  12           HZ1      LYS  12 -15.982   4.710 -18.690
  104   2HZ   LYS  12           HZ2      LYS  12 -16.953   4.295 -17.358
  105   3HZ   LYS  12           HZ3      LYS  12 -16.710   3.177 -18.614
  106    H    LYS  13           HN       LYS  13 -14.188   3.737 -10.937
  107    HA   LYS  13           HA       LYS  13 -11.750   5.431 -10.814
  108   1HB   LYS  13           HB1      LYS  13 -13.192   7.276  -9.905
  109   2HB   LYS  13           HB2      LYS  13 -14.604   6.255 -10.150
  110   1HG   LYS  13           HG1      LYS  13 -14.254   6.221 -12.542
  111   2HG   LYS  13           HG2      LYS  13 -12.690   7.010 -12.378
  112   1HD   LYS  13           HD1      LYS  13 -13.706   9.063 -11.640
  113   2HD   LYS  13           HD2      LYS  13 -15.276   8.289 -11.450
  114   1HE   LYS  13           HE1      LYS  13 -14.018   8.105 -14.145
  115   2HE   LYS  13           HE2      LYS  13 -14.610   9.689 -13.661
  116   1HZ   LYS  13           HZ1      LYS  13 -16.578   7.908 -12.941
  117   2HZ   LYS  13           HZ2      LYS  13 -16.073   7.411 -14.484
  118   3HZ   LYS  13           HZ3      LYS  13 -16.610   9.002 -14.238
  119    HA   PRO  14           HA       PRO  14 -11.380   3.739  -6.703
  120   1HB   PRO  14           HB1      PRO  14  -9.289   4.566  -6.200
  121   2HB   PRO  14           HB2      PRO  14 -10.056   6.029  -5.579
  122   1HG   PRO  14           HG1      PRO  14  -8.429   5.839  -7.905
  123   2HG   PRO  14           HG2      PRO  14  -9.399   7.231  -7.421
  124   1HD   PRO  14           HD1      PRO  14 -10.719   6.848  -9.255
  125   2HD   PRO  14           HD2      PRO  14  -9.882   5.317  -9.575
  126    H    SER  15           HN       SER  15 -11.751   7.289  -6.431
  127    HA   SER  15           HA       SER  15 -13.071   7.495  -4.036
  128   1HB   SER  15           HB1      SER  15 -12.687   9.517  -5.358
  129   2HB   SER  15           HB2      SER  15 -14.451   9.393  -5.204
  130    HG   SER  15           HG1      SER  15 -12.796   8.861  -7.386
  131    H    MET  16           HN       MET  16 -14.495   6.370  -7.060
  132    HA   MET  16           HA       MET  16 -17.176   6.226  -5.964
  133   1HB   MET  16           HB1      MET  16 -17.440   4.655  -8.052
  134   2HB   MET  16           HB2      MET  16 -15.791   5.142  -8.436
  135   1HG   MET  16           HG1      MET  16 -17.125   6.700  -9.577
  136   2HG   MET  16           HG2      MET  16 -16.585   7.541  -8.149
  137   1HE   MET  16           HE1      MET  16 -18.507   9.552  -8.073
  138   2HE   MET  16           HE2      MET  16 -19.886   9.160  -9.102
  139   3HE   MET  16           HE3      MET  16 -18.244   8.877  -9.681
  140    H    LEU  17           HN       LEU  17 -14.857   3.654  -6.913
  141    HA   LEU  17           HA       LEU  17 -16.324   1.556  -5.677
  142   1HB   LEU  17           HB1      LEU  17 -13.288   1.639  -5.812
  143   2HB   LEU  17           HB2      LEU  17 -14.229   1.493  -7.278
  144    HG   LEU  17           HG       LEU  17 -13.470  -0.727  -6.369
  145   1HD1  LEU  17          HD11      LEU  17 -14.281  -1.598  -4.319
  146   2HD1  LEU  17          HD12      LEU  17 -15.458  -0.311  -4.131
  147   3HD1  LEU  17          HD13      LEU  17 -13.746   0.031  -3.937
  148   1HD2  LEU  17          HD21      LEU  17 -16.472  -0.708  -6.117
  149   2HD2  LEU  17          HD22      LEU  17 -15.427  -1.852  -6.944
  150   3HD2  LEU  17          HD23      LEU  17 -15.732  -0.274  -7.648
  151    H    LYS  18           HN       LYS  18 -13.484   3.320  -4.560
  152    HA   LYS  18           HA       LYS  18 -13.035   2.399  -2.058
  153   1HB   LYS  18           HB1      LYS  18 -13.403   5.381  -2.589
  154   2HB   LYS  18           HB2      LYS  18 -12.032   4.476  -3.216
  155   1HG   LYS  18           HG1      LYS  18 -12.632   4.162  -0.316
  156   2HG   LYS  18           HG2      LYS  18 -11.971   5.711  -0.818
  157   1HD   LYS  18           HD1      LYS  18 -10.743   3.054  -1.631
  158   2HD   LYS  18           HD2      LYS  18 -10.250   3.918  -0.181
  159   1HE   LYS  18           HE1      LYS  18 -10.283   5.777  -2.382
  160   2HE   LYS  18           HE2      LYS  18  -9.368   4.355  -2.860
  161   1HZ   LYS  18           HZ1      LYS  18  -8.657   5.003  -0.240
  162   2HZ   LYS  18           HZ2      LYS  18  -8.586   6.428  -1.161
  163   3HZ   LYS  18           HZ3      LYS  18  -7.696   5.063  -1.639
  164    H    LYS  19           HN       LYS  19 -15.524   4.867  -2.737
  165    HA   LYS  19           HA       LYS  19 -16.572   4.804  -0.083
  166   1HB   LYS  19           HB1      LYS  19 -18.688   5.614  -1.713
  167   2HB   LYS  19           HB2      LYS  19 -17.286   5.991  -2.706
  168   1HG   LYS  19           HG1      LYS  19 -17.584   6.860   0.193
  169   2HG   LYS  19           HG2      LYS  19 -17.990   7.876  -1.183
  170   1HD   LYS  19           HD1      LYS  19 -15.693   7.765  -2.006
  171   2HD   LYS  19           HD2      LYS  19 -15.257   6.636  -0.729
  172   1HE   LYS  19           HE1      LYS  19 -15.479   8.281   0.961
  173   2HE   LYS  19           HE2      LYS  19 -16.430   9.341  -0.074
  174   1HZ   LYS  19           HZ1      LYS  19 -13.531   8.790  -0.194
  175   2HZ   LYS  19           HZ2      LYS  19 -14.316  10.283   0.003
  176   3HZ   LYS  19           HZ3      LYS  19 -14.366   9.487  -1.497
  177    H    HIS  20           HN       HIS  20 -17.437   3.101  -3.052
  178    HA   HIS  20           HA       HIS  20 -19.843   1.910  -2.138
  179   1HB   HIS  20           HB1      HIS  20 -17.728   0.833  -4.046
  180   2HB   HIS  20           HB2      HIS  20 -19.148   1.756  -4.511
  181    HD1  HIS  20           HD1      HIS  20 -21.087   0.262  -5.024
  182    HD2  HIS  20           HD2      HIS  20 -18.341  -1.705  -2.752
  183    HE1  HIS  20           HE1      HIS  20 -21.936  -2.027  -4.813
  184    H    ILE  21           HN       ILE  21 -16.481   0.706  -1.934
  185    HA   ILE  21           HA       ILE  21 -17.252  -1.734  -0.673
  186    HB   ILE  21           HB       ILE  21 -14.895  -0.921  -1.672
  187   1HG1  ILE  21          HG11      ILE  21 -15.548  -2.922   0.472
  188   2HG1  ILE  21          HG12      ILE  21 -13.865  -2.699   0.013
  189   1HG2  ILE  21          HG21      ILE  21 -14.385  -0.702   1.329
  190   2HG2  ILE  21          HG22      ILE  21 -14.733   0.726   0.374
  191   3HG2  ILE  21          HG23      ILE  21 -13.317  -0.235   0.012
  192   1HD1  ILE  21           HD1      ILE  21 -16.142  -3.368  -1.885
  193   2HD1  ILE  21           HD2      ILE  21 -14.897  -4.484  -1.338
  194   3HD1  ILE  21           HD3      ILE  21 -14.467  -3.117  -2.359
  195    NH1  ARG  22           NH1      ARG  22 -17.703   5.555   5.024
  196    NH2  ARG  22           NH2      ARG  22 -16.256   7.183   4.333
  197    H    ARG  22           HN       ARG  22 -16.719   1.483   0.603
  198    HA   ARG  22           HA       ARG  22 -16.542   0.663   3.374
  199   1HB   ARG  22           HB1      ARG  22 -17.354   3.103   3.755
  200   2HB   ARG  22           HB2      ARG  22 -17.376   3.264   2.005
  201   1HG   ARG  22           HG1      ARG  22 -15.019   2.914   1.838
  202   2HG   ARG  22           HG2      ARG  22 -14.912   2.304   3.484
  203   1HD   ARG  22           HD1      ARG  22 -14.368   4.900   2.776
  204   2HD   ARG  22           HD2      ARG  22 -14.864   4.405   4.393
  205    HE   ARG  22           HE       ARG  22 -16.933   5.191   2.390
  206   1HH1  ARG  22          HH11      ARG  22 -18.093   4.644   4.893
  207   2HH1  ARG  22          HH12      ARG  22 -18.011   6.126   5.786
  208   1HH2  ARG  22          HH21      ARG  22 -15.561   7.492   3.683
  209   2HH2  ARG  22          HH22      ARG  22 -16.540   7.781   5.083
  210    H    THR  23           HN       THR  23 -19.214   1.180   1.183
  211    HA   THR  23           HA       THR  23 -21.259   1.476   3.138
  212    HB   THR  23           HB       THR  23 -21.650  -0.073   0.513
  213    HG1  THR  23           HG1      THR  23 -20.322   1.687   0.099
  214   1HG2  THR  23          HG21      THR  23 -23.870   0.485   0.957
  215   2HG2  THR  23          HG22      THR  23 -23.416   2.181   0.899
  216   3HG2  THR  23          HG23      THR  23 -23.398   1.316   2.431
  217    H    HIS  24           HN       HIS  24 -19.504  -1.360   2.087
  218    HA   HIS  24           HA       HIS  24 -21.432  -3.264   3.170
  219   1HB   HIS  24           HB1      HIS  24 -19.360  -4.839   2.997
  220   2HB   HIS  24           HB2      HIS  24 -18.508  -3.458   2.312
  221    HD1  HIS  24           HD1      HIS  24 -21.810  -5.131   1.596
  222    HD2  HIS  24           HD2      HIS  24 -18.673  -3.461  -0.391
  223    HE1  HIS  24           HE1      HIS  24 -22.339  -5.365  -0.805
  224    H    THR  25           HN       THR  25 -20.222  -1.025   4.864
  225    HA   THR  25           HA       THR  25 -18.965  -2.663   6.998
  226    HB   THR  25           HB       THR  25 -18.538  -0.316   7.981
  227    HG1  THR  25           HG1      THR  25 -19.002   1.219   6.094
  228   1HG2  THR  25          HG21      THR  25 -16.682  -0.951   6.580
  229   2HG2  THR  25          HG22      THR  25 -17.239   0.533   5.815
  230   3HG2  THR  25          HG23      THR  25 -17.698  -1.030   5.146
  231    H    ASP  26           HN       ASP  26 -20.484   0.185   7.948
  232    HA   ASP  26           HA       ASP  26 -23.063  -0.986   8.619
  233   1HB   ASP  26           HB1      ASP  26 -22.702  -0.703  11.106
  234   2HB   ASP  26           HB2      ASP  26 -21.012  -0.315  10.793
  235    H    VAL  27           HN       VAL  27 -21.912   1.234   7.206
  236    HA   VAL  27           HA       VAL  27 -22.812   3.545   8.849
  237    HB   VAL  27           HB       VAL  27 -20.572   3.661   7.790
  238   1HG1  VAL  27          HG11      VAL  27 -20.308   3.606   5.372
  239   2HG1  VAL  27          HG12      VAL  27 -22.046   3.462   5.145
  240   3HG1  VAL  27          HG13      VAL  27 -21.146   2.147   5.876
  241   1HG2  VAL  27          HG21      VAL  27 -22.593   5.597   7.624
  242   2HG2  VAL  27          HG22      VAL  27 -21.853   5.599   6.027
  243   3HG2  VAL  27          HG23      VAL  27 -20.865   5.881   7.455
  244    NH1  ARG  28           NH1      ARG  28 -25.357  -2.982   5.265
  245    NH2  ARG  28           NH2      ARG  28 -23.341  -2.593   6.266
  246    H    ARG  28           HN       ARG  28 -24.825   1.887   7.913
  247    HA   ARG  28           HA       ARG  28 -26.090   3.538   5.762
  248   1HB   ARG  28           HB1      ARG  28 -27.492   1.428   5.401
  249   2HB   ARG  28           HB2      ARG  28 -26.400   0.603   6.505
  250   1HG   ARG  28           HG1      ARG  28 -24.560   1.669   4.888
  251   2HG   ARG  28           HG2      ARG  28 -25.894   1.633   3.743
  252   1HD   ARG  28           HD1      ARG  28 -24.626  -0.468   3.603
  253   2HD   ARG  28           HD2      ARG  28 -26.231  -0.787   4.255
  254    HE   ARG  28           HE       ARG  28 -24.433  -0.300   6.425
  255   1HH1  ARG  28          HH11      ARG  28 -26.199  -2.619   4.865
  256   2HH1  ARG  28          HH12      ARG  28 -25.208  -3.970   5.304
  257   1HH2  ARG  28          HH21      ARG  28 -22.671  -1.938   6.615
  258   2HH2  ARG  28          HH22      ARG  28 -23.158  -3.574   6.322
  259    HA   PRO  29           HA       PRO  29 -28.547   4.129   9.647
  260   1HB   PRO  29           HB1      PRO  29 -28.173   6.355  10.076
  261   2HB   PRO  29           HB2      PRO  29 -29.235   6.786   8.736
  262   1HG   PRO  29           HG1      PRO  29 -26.344   6.985   8.847
  263   2HG   PRO  29           HG2      PRO  29 -27.409   7.455   7.521
  264   1HD   PRO  29           HD1      PRO  29 -26.799   5.618   6.324
  265   2HD   PRO  29           HD2      PRO  29 -25.635   5.214   7.594
  266    OH   TYR  30           OH       TYR  30 -30.180  10.384   4.512
  267    H    TYR  30           HN       TYR  30 -29.230   4.581   6.273
  268    HA   TYR  30           HA       TYR  30 -32.110   4.930   6.664
  269   1HB   TYR  30           HB1      TYR  30 -32.156   4.594   4.147
  270   2HB   TYR  30           HB2      TYR  30 -30.429   4.264   4.199
  271    HD1  TYR  30           HD1      TYR  30 -32.895   6.851   5.320
  272    HD2  TYR  30           HD2      TYR  30 -28.946   6.066   3.946
  273    HE1  TYR  30           HE1      TYR  30 -32.440   9.260   5.246
  274    HE2  TYR  30           HE2      TYR  30 -28.493   8.474   3.873
  275    HH   TYR  30           HH       TYR  30 -29.309  10.510   4.130
  276    H    HIS  31           HN       HIS  31 -32.766   3.140   7.876
  277    HA   HIS  31           HA       HIS  31 -32.430   0.458   6.605
  278   1HB   HIS  31           HB1      HIS  31 -33.514  -0.221   8.915
  279   2HB   HIS  31           HB2      HIS  31 -33.138   1.431   9.396
  280    HD1  HIS  31           HD1      HIS  31 -31.642  -1.718   9.373
  281    HD2  HIS  31           HD2      HIS  31 -30.224   2.037   8.796
  282    HE1  HIS  31           HE1      HIS  31 -29.250  -1.892   9.747
  283    H    CYS  32           HN       CYS  32 -34.142  -0.571   5.682
  284    HA   CYS  32           HA       CYS  32 -36.552   0.790   5.120
  285   1HB   CYS  32           HB1      CYS  32 -35.744  -2.125   5.158
  286   2HB   CYS  32           HB2      CYS  32 -36.106  -1.119   3.780
  287    H    THR  33           HN       THR  33 -38.661   0.599   6.000
  288    HA   THR  33           HA       THR  33 -38.628   0.190   8.912
  289    HB   THR  33           HB       THR  33 -41.092   0.878   7.236
  290    HG1  THR  33           HG1      THR  33 -39.040   2.061   6.771
  291   1HG2  THR  33          HG21      THR  33 -40.330   2.399   9.678
  292   2HG2  THR  33          HG22      THR  33 -40.641   0.697  10.004
  293   3HG2  THR  33          HG23      THR  33 -41.893   1.696   9.272
  294    OH   TYR  34           OH       TYR  34 -44.795   0.215   5.595
  295    H    TYR  34           HN       TYR  34 -38.536  -2.034   6.803
  296    HA   TYR  34           HA       TYR  34 -40.516  -3.757   8.197
  297   1HB   TYR  34           HB1      TYR  34 -41.241  -4.754   6.044
  298   2HB   TYR  34           HB2      TYR  34 -40.130  -3.722   5.159
  299    HD1  TYR  34           HD2      TYR  34 -40.480  -1.135   5.443
  300    HD2  TYR  34           HD1      TYR  34 -43.442  -4.022   6.428
  301    HE1  TYR  34           HE2      TYR  34 -42.223   0.574   5.219
  302    HE2  TYR  34           HE1      TYR  34 -45.181  -2.306   6.212
  303    HH   TYR  34           HH       TYR  34 -45.132   0.402   6.474
  304    H    CYS  35           HN       CYS  35 -38.254  -4.038   5.475
  305    HA   CYS  35           HA       CYS  35 -37.307  -6.630   6.258
  306   1HB   CYS  35           HB1      CYS  35 -35.627  -6.291   4.528
  307   2HB   CYS  35           HB2      CYS  35 -35.819  -4.564   4.600
  308    H    ASN  36           HN       ASN  36 -34.532  -6.301   5.937
  309    HA   ASN  36           HA       ASN  36 -33.759  -4.837   8.425
  310   1HB   ASN  36           HB1      ASN  36 -32.512  -7.458   7.485
  311   2HB   ASN  36           HB2      ASN  36 -33.887  -7.435   8.584
  312   1HD2  ASN  36          HD21      ASN  36 -33.369  -7.303  10.763
  313   2HD2  ASN  36          HD22      ASN  36 -31.885  -6.757  11.383
  314    H    PHE  37           HN       PHE  37 -33.512  -4.850   5.225
  315    HA   PHE  37           HA       PHE  37 -30.625  -4.593   4.892
  316   1HB   PHE  37           HB1      PHE  37 -32.630  -3.473   2.932
  317   2HB   PHE  37           HB2      PHE  37 -32.559  -5.219   3.150
  318    HD1  PHE  37           HD2      PHE  37 -30.306  -6.383   2.849
  319    HD2  PHE  37           HD1      PHE  37 -30.958  -2.342   1.675
  320    HE1  PHE  37           HE2      PHE  37 -28.318  -6.478   1.409
  321    HE2  PHE  37           HE1      PHE  37 -28.966  -2.440   0.242
  322    HZ   PHE  37           HZ       PHE  37 -27.645  -4.507   0.108
  323    H    SER  38           HN       SER  38 -29.607  -2.604   4.129
  324    HA   SER  38           HA       SER  38 -31.046  -0.125   4.824
  325   1HB   SER  38           HB1      SER  38 -28.289  -0.672   5.998
  326   2HB   SER  38           HB2      SER  38 -29.769  -1.080   6.880
  327    HG   SER  38           HG1      SER  38 -30.371   1.003   6.888
  328    H    PHE  39           HN       PHE  39 -30.018   1.788   4.051
  329    HA   PHE  39           HA       PHE  39 -27.954   1.274   1.944
  330   1HB   PHE  39           HB1      PHE  39 -29.176   2.696   0.452
  331   2HB   PHE  39           HB2      PHE  39 -30.136   3.375   1.766
  332    HD1  PHE  39           HD2      PHE  39 -31.845   1.920   2.923
  333    HD2  PHE  39           HD1      PHE  39 -29.841   0.641  -0.613
  334    HE1  PHE  39           HE2      PHE  39 -33.541   0.177   2.586
  335    HE2  PHE  39           HE1      PHE  39 -31.553  -1.087  -0.952
  336    HZ   PHE  39           HZ       PHE  39 -33.406  -1.316   0.645
  337    H    LYS  40           HN       LYS  40 -26.638   3.099   1.397
  338    HA   LYS  40           HA       LYS  40 -25.957   4.697   3.756
  339   1HB   LYS  40           HB1      LYS  40 -24.765   4.341   0.969
  340   2HB   LYS  40           HB2      LYS  40 -24.132   3.721   2.478
  341   1HG   LYS  40           HG1      LYS  40 -24.256   6.662   1.695
  342   2HG   LYS  40           HG2      LYS  40 -22.815   5.665   1.730
  343   1HD   LYS  40           HD1      LYS  40 -23.279   5.240   4.185
  344   2HD   LYS  40           HD2      LYS  40 -24.516   6.486   4.096
  345   1HE   LYS  40           HE1      LYS  40 -21.556   6.810   3.534
  346   2HE   LYS  40           HE2      LYS  40 -22.468   7.534   4.852
  347   1HZ   LYS  40           HZ1      LYS  40 -23.860   8.534   2.940
  348   2HZ   LYS  40           HZ2      LYS  40 -22.486   8.212   1.996
  349   3HZ   LYS  40           HZ3      LYS  40 -22.366   9.234   3.347
  350    H    THR  41           HN       THR  41 -27.876   5.056   0.980
  351    HA   THR  41           HA       THR  41 -27.981   8.011   1.447
  352    HB   THR  41           HB       THR  41 -28.013   8.406  -0.935
  353    HG1  THR  41           HG1      THR  41 -28.992   6.971  -2.148
  354   1HG2  THR  41          HG21      THR  41 -25.781   7.259  -0.090
  355   2HG2  THR  41          HG22      THR  41 -26.089   7.184  -1.821
  356   3HG2  THR  41          HG23      THR  41 -26.424   5.785  -0.807
  357    H    LYS  42           HN       LYS  42 -29.966   9.019   0.895
  358    HA   LYS  42           HA       LYS  42 -32.241   7.440   1.692
  359   1HB   LYS  42           HB1      LYS  42 -32.179  10.264   0.537
  360   2HB   LYS  42           HB2      LYS  42 -31.876   9.907   2.232
  361   1HG   LYS  42           HG1      LYS  42 -34.098   9.814   2.639
  362   2HG   LYS  42           HG2      LYS  42 -34.284   8.559   1.426
  363   1HD   LYS  42           HD1      LYS  42 -35.672  10.515   0.853
  364   2HD   LYS  42           HD2      LYS  42 -34.412  10.279  -0.350
  365   1HE   LYS  42           HE1      LYS  42 -34.920  12.665   0.941
  366   2HE   LYS  42           HE2      LYS  42 -33.402  12.256   0.156
  367   1HZ   LYS  42           HZ1      LYS  42 -33.945  11.571   2.979
  368   2HZ   LYS  42           HZ2      LYS  42 -33.272  13.059   2.518
  369   3HZ   LYS  42           HZ3      LYS  42 -32.451  11.615   2.174
  370    H    GLY  43           HN       GLY  43 -30.781   8.297  -1.294
  371   1HA   GLY  43           HA1      GLY  43 -31.416   7.837  -3.513
  372   2HA   GLY  43           HA2      GLY  43 -33.062   8.225  -3.016
  373    H    ASN  44           HN       ASN  44 -30.642   5.636  -2.768
  374    HA   ASN  44           HA       ASN  44 -32.115   3.588  -3.903
  375   1HB   ASN  44           HB1      ASN  44 -30.791   2.107  -2.161
  376   2HB   ASN  44           HB2      ASN  44 -30.080   3.632  -1.646
  377   1HD2  ASN  44          HD21      ASN  44 -28.303   1.855  -2.716
  378   2HD2  ASN  44          HD22      ASN  44 -27.855   2.302  -4.290
  379    H    LEU  45           HN       LEU  45 -32.227   4.705  -0.552
  380    HA   LEU  45           HA       LEU  45 -33.922   2.694   0.474
  381   1HB   LEU  45           HB1      LEU  45 -33.717   5.679   1.154
  382   2HB   LEU  45           HB2      LEU  45 -32.822   4.380   1.913
  383    HG   LEU  45           HG       LEU  45 -34.566   4.866   3.454
  384   1HD1  LEU  45          HD11      LEU  45 -36.907   4.507   1.674
  385   2HD1  LEU  45          HD12      LEU  45 -35.961   5.943   1.331
  386   3HD1  LEU  45          HD13      LEU  45 -36.626   5.695   2.937
  387   1HD2  LEU  45          HD21      LEU  45 -35.778   2.816   3.606
  388   2HD2  LEU  45          HD22      LEU  45 -34.267   2.413   2.800
  389   3HD2  LEU  45          HD23      LEU  45 -35.747   2.568   1.867
  390    H    THR  46           HN       THR  46 -34.777   5.850  -0.928
  391    HA   THR  46           HA       THR  46 -37.595   5.515  -0.762
  392    HB   THR  46           HB       THR  46 -35.894   7.071  -2.806
  393    HG1  THR  46           HG1      THR  46 -36.775   8.716  -1.228
  394   1HG2  THR  46          HG21      THR  46 -38.863   7.139  -2.030
  395   2HG2  THR  46          HG22      THR  46 -38.204   6.988  -3.656
  396   3HG2  THR  46          HG23      THR  46 -38.067   8.514  -2.788
  397    H    LYS  47           HN       LYS  47 -35.249   4.442  -3.143
  398    HA   LYS  47           HA       LYS  47 -37.165   3.649  -5.135
  399   1HB   LYS  47           HB1      LYS  47 -34.367   2.563  -4.542
  400   2HB   LYS  47           HB2      LYS  47 -34.722   3.927  -5.593
  401   1HG   LYS  47           HG1      LYS  47 -36.340   2.156  -6.759
  402   2HG   LYS  47           HG2      LYS  47 -35.218   1.006  -6.042
  403   1HD   LYS  47           HD1      LYS  47 -34.127   1.409  -8.049
  404   2HD   LYS  47           HD2      LYS  47 -33.404   2.676  -7.065
  405   1HE   LYS  47           HE1      LYS  47 -35.264   4.215  -7.857
  406   2HE   LYS  47           HE2      LYS  47 -35.731   2.953  -8.990
  407   1HZ   LYS  47           HZ1      LYS  47 -33.145   3.111  -9.511
  408   2HZ   LYS  47           HZ2      LYS  47 -33.424   4.712  -9.022
  409   3HZ   LYS  47           HZ3      LYS  47 -34.310   4.051 -10.310
  410    H    HIS  48           HN       HIS  48 -35.709   1.990  -2.379
  411    HA   HIS  48           HA       HIS  48 -36.767  -0.606  -3.020
  412   1HB   HIS  48           HB1      HIS  48 -35.897   0.685  -0.388
  413   2HB   HIS  48           HB2      HIS  48 -34.963  -0.426  -1.386
  414    HD1  HIS  48           HD1      HIS  48 -36.424  -2.796  -1.673
  415    HD2  HIS  48           HD2      HIS  48 -37.109  -0.615   1.717
  416    HE1  HIS  48           HE1      HIS  48 -37.426  -4.364  -0.086
  417    H    MET  49           HN       MET  49 -38.064   2.186  -1.359
  418    HA   MET  49           HA       MET  49 -40.359   0.749  -0.280
  419   1HB   MET  49           HB1      MET  49 -41.197   3.149   0.106
  420   2HB   MET  49           HB2      MET  49 -39.711   3.710  -0.652
  421   1HG   MET  49           HG1      MET  49 -39.282   3.700   1.679
  422   2HG   MET  49           HG2      MET  49 -38.440   2.324   1.018
  423   1HE   MET  49           HE1      MET  49 -38.492   2.814   3.721
  424   2HE   MET  49           HE2      MET  49 -39.477   1.790   4.766
  425   3HE   MET  49           HE3      MET  49 -40.109   3.333   4.193
  426    H    LYS  50           HN       LYS  50 -39.651   2.580  -3.184
  427    HA   LYS  50           HA       LYS  50 -42.343   2.936  -4.075
  428   1HB   LYS  50           HB1      LYS  50 -40.014   2.427  -5.957
  429   2HB   LYS  50           HB2      LYS  50 -40.072   3.905  -5.002
  430   1HG   LYS  50           HG1      LYS  50 -41.970   4.699  -6.097
  431   2HG   LYS  50           HG2      LYS  50 -42.518   3.086  -6.535
  432   1HD   LYS  50           HD1      LYS  50 -41.640   4.353  -8.500
  433   2HD   LYS  50           HD2      LYS  50 -40.717   2.887  -8.185
  434   1HE   LYS  50           HE1      LYS  50 -39.394   5.085  -8.607
  435   2HE   LYS  50           HE2      LYS  50 -38.908   4.082  -7.247
  436   1HZ   LYS  50           HZ1      LYS  50 -39.286   6.619  -6.949
  437   2HZ   LYS  50           HZ2      LYS  50 -39.776   5.533  -5.738
  438   3HZ   LYS  50           HZ3      LYS  50 -40.919   6.172  -6.819
  439    H    SER  51           HN       SER  51 -40.458   0.134  -3.770
  440    HA   SER  51           HA       SER  51 -41.628  -1.363  -5.965
  441   1HB   SER  51           HB1      SER  51 -40.145  -2.181  -3.412
  442   2HB   SER  51           HB2      SER  51 -39.510  -2.172  -5.069
  443    HG   SER  51           HG1      SER  51 -40.239  -4.258  -4.458
  444    H    LYS  52           HN       LYS  52 -43.285  -2.866  -5.898
  445    HA   LYS  52           HA       LYS  52 -45.479  -2.279  -4.173
  446   1HB   LYS  52           HB1      LYS  52 -45.921  -3.339  -6.309
  447   2HB   LYS  52           HB2      LYS  52 -46.356  -4.533  -5.091
  448   1HG   LYS  52           HG1      LYS  52 -43.957  -5.424  -5.324
  449   2HG   LYS  52           HG2      LYS  52 -43.837  -4.422  -6.767
  450   1HD   LYS  52           HD1      LYS  52 -45.979  -5.556  -7.578
  451   2HD   LYS  52           HD2      LYS  52 -45.775  -6.695  -6.251
  452   1HE   LYS  52           HE1      LYS  52 -43.873  -6.196  -8.558
  453   2HE   LYS  52           HE2      LYS  52 -44.732  -7.685  -8.187
  454   1HZ   LYS  52           HZ1      LYS  52 -42.605  -8.041  -7.390
  455   2HZ   LYS  52           HZ2      LYS  52 -43.466  -7.597  -5.995
  456   3HZ   LYS  52           HZ3      LYS  52 -42.454  -6.469  -6.763
  457    H    ALA  53           HN       ALA  53 -42.656  -3.711  -3.357
  458    HA   ALA  53           HA       ALA  53 -43.237  -6.013  -1.897
  459   1HB   ALA  53           HB1      ALA  53 -41.417  -3.681  -1.116
  460   2HB   ALA  53           HB2      ALA  53 -40.950  -5.073  -2.089
  461   3HB   ALA  53           HB3      ALA  53 -41.350  -5.281  -0.386
  462    H    HIS  54           HN       HIS  54 -42.746  -3.037  -0.053
  463    HA   HIS  54           HA       HIS  54 -45.401  -3.269   1.167
  464   1HB   HIS  54           HB1      HIS  54 -44.401  -4.815   2.627
  465   2HB   HIS  54           HB2      HIS  54 -44.084  -3.315   3.489
  466    HD1  HIS  54           HD1      HIS  54 -42.362  -6.016   1.789
  467    HD2  HIS  54           HD2      HIS  54 -41.345  -2.307   3.176
  468    HE1  HIS  54           HE1      HIS  54 -39.914  -6.001   1.893
  469    H    SER  55           HN       SER  55 -45.704  -1.145   0.493
  470    HA   SER  55           HA       SER  55 -44.510   0.840   2.310
  471   1HB   SER  55           HB1      SER  55 -43.837   2.313   0.326
  472   2HB   SER  55           HB2      SER  55 -44.155   0.926  -0.736
  473    HG   SER  55           HG1      SER  55 -42.252   1.215   1.320
  474    H    LYS  56           HN       LYS  56 -47.108  -0.004   2.256
  475    HA   LYS  56           HA       LYS  56 -48.752   1.697   0.568
  476   1HB   LYS  56           HB1      LYS  56 -50.599   0.878   2.083
  477   2HB   LYS  56           HB2      LYS  56 -49.389   0.124   3.114
  478   1HG   LYS  56           HG1      LYS  56 -48.688  -1.361   1.350
  479   2HG   LYS  56           HG2      LYS  56 -49.639  -0.494   0.154
  480   1HD   LYS  56           HD1      LYS  56 -50.816  -1.934   2.562
  481   2HD   LYS  56           HD2      LYS  56 -50.724  -2.630   0.951
  482   1HE   LYS  56           HE1      LYS  56 -52.824  -1.718   0.756
  483   2HE   LYS  56           HE2      LYS  56 -51.922  -0.265   0.351
  484   1HZ   LYS  56           HZ1      LYS  56 -52.210  -0.625   3.171
  485   2HZ   LYS  56           HZ2      LYS  56 -53.708  -0.527   2.377
  486   3HZ   LYS  56           HZ3      LYS  56 -52.573   0.724   2.206
  487    H    LYS  57           HN       LYS  57 -46.773   3.139   2.062
  488    HA   LYS  57           HA       LYS  57 -47.717   4.390   4.387
  489   1HB   LYS  57           HB1      LYS  57 -45.434   4.734   3.442
  490   2HB   LYS  57           HB2      LYS  57 -46.225   6.283   3.710
  491   1HG   LYS  57           HG1      LYS  57 -46.744   6.530   1.385
  492   2HG   LYS  57           HG2      LYS  57 -46.346   4.849   1.044
  493   1HD   LYS  57           HD1      LYS  57 -43.975   5.324   1.702
  494   2HD   LYS  57           HD2      LYS  57 -44.403   7.019   1.903
  495   1HE   LYS  57           HE1      LYS  57 -44.531   5.390  -0.653
  496   2HE   LYS  57           HE2      LYS  57 -43.477   6.758  -0.319
  497   1HZ   LYS  57           HZ1      LYS  57 -45.075   7.886  -1.373
  498   2HZ   LYS  57           HZ2      LYS  57 -45.867   7.838   0.128
  499   3HZ   LYS  57                 LYS  57 -46.268   6.714  -1.080
   
  Start of MODEL          22
 Raw file had 499 H/Q atoms
  Start of MODEL   22
    1   1H    LYS   1           HT1      LYS   1  -8.967  -1.147 -11.767
    2   2H    LYS   1           HT2      LYS   1 -10.113  -1.935 -12.741
    3   3H    LYS   1           HT3      LYS   1  -8.487  -2.421 -12.781
    4    HA   LYS   1           HA       LYS   1 -10.005  -3.906 -11.499
    5   1HB   LYS   1           HB1      LYS   1  -8.399  -3.876  -9.442
    6   2HB   LYS   1           HB2      LYS   1  -7.589  -2.535 -10.243
    7   1HG   LYS   1           HG1      LYS   1  -7.494  -4.085 -12.317
    8   2HG   LYS   1           HG2      LYS   1  -7.879  -5.388 -11.199
    9   1HD   LYS   1           HD1      LYS   1  -5.611  -5.478 -10.911
   10   2HD   LYS   1           HD2      LYS   1  -5.887  -4.119  -9.827
   11   1HE   LYS   1           HE1      LYS   1  -5.657  -2.629 -11.923
   12   2HE   LYS   1           HE2      LYS   1  -4.991  -4.052 -12.714
   13   1HZ   LYS   1           HZ1      LYS   1  -3.101  -3.161 -11.901
   14   2HZ   LYS   1           HZ2      LYS   1  -3.535  -4.075 -10.537
   15   3HZ   LYS   1           HZ3      LYS   1  -3.866  -2.410 -10.585
   16    OH   TYR   2           OH       TYR   2  -7.979   2.358  -9.849
   17    H    TYR   2           HN       TYR   2 -12.039  -2.947 -11.070
   18    HA   TYR   2           HA       TYR   2 -12.230  -1.960  -8.296
   19   1HB   TYR   2           HB1      TYR   2 -13.579   0.020  -8.971
   20   2HB   TYR   2           HB2      TYR   2 -13.388  -0.417 -10.669
   21    HD1  TYR   2           HD2      TYR   2 -11.458   0.507  -7.619
   22    HD2  TYR   2           HD1      TYR   2 -11.453   0.268 -11.864
   23    HE1  TYR   2           HE2      TYR   2  -9.327   1.715  -7.683
   24    HE2  TYR   2           HE1      TYR   2  -9.322   1.477 -11.932
   25    HH   TYR   2           HH       TYR   2  -7.400   1.904 -10.465
   26    H    ILE   3           HN       ILE   3 -13.020  -4.395  -9.130
   27    HA   ILE   3           HA       ILE   3 -15.972  -4.194  -9.522
   28    HB   ILE   3           HB       ILE   3 -14.193  -6.675  -9.667
   29   1HG1  ILE   3          HG11      ILE   3 -14.281  -6.337 -12.169
   30   2HG1  ILE   3          HG12      ILE   3 -13.324  -5.144 -11.307
   31   1HG2  ILE   3          HG21      ILE   3 -16.350  -7.562  -9.715
   32   2HG2  ILE   3          HG22      ILE   3 -16.311  -7.074 -11.402
   33   3HG2  ILE   3          HG23      ILE   3 -17.085  -6.046 -10.209
   34   1HD1  ILE   3           HD1      ILE   3 -15.072  -4.357 -13.119
   35   2HD1  ILE   3           HD2      ILE   3 -14.885  -3.446 -11.626
   36   3HD1  ILE   3           HD3      ILE   3 -16.230  -4.565 -11.814
   37    H    CYS   4           HN       CYS   4 -16.809  -3.949  -7.451
   38    HA   CYS   4           HA       CYS   4 -15.761  -4.987  -5.084
   39   1HB   CYS   4           HB1      CYS   4 -18.589  -4.490  -5.986
   40   2HB   CYS   4           HB2      CYS   4 -17.643  -3.579  -4.847
   41    H    GLU   5           HN       GLU   5 -15.311  -6.952  -4.459
   42    HA   GLU   5           HA       GLU   5 -15.899  -9.291  -5.915
   43   1HB   GLU   5           HB1      GLU   5 -15.323 -10.403  -3.600
   44   2HB   GLU   5           HB2      GLU   5 -15.025  -8.753  -3.063
   45   1HG   GLU   5           HG1      GLU   5 -12.907  -9.330  -3.847
   46   2HG   GLU   5           HG2      GLU   5 -13.603  -8.629  -5.306
   47    H    GLU   6           HN       GLU   6 -17.845  -7.614  -3.587
   48    HA   GLU   6           HA       GLU   6 -19.527  -9.949  -3.102
   49   1HB   GLU   6           HB1      GLU   6 -20.204  -7.097  -2.331
   50   2HB   GLU   6           HB2      GLU   6 -18.981  -7.995  -1.442
   51   1HG   GLU   6           HG1      GLU   6 -20.647  -9.809  -1.036
   52   2HG   GLU   6           HG2      GLU   6 -21.869  -8.841  -1.856
   53    H    CYS   7           HN       CYS   7 -20.365  -6.660  -4.159
   54    HA   CYS   7           HA       CYS   7 -22.735  -7.663  -5.516
   55   1HB   CYS   7           HB1      CYS   7 -23.216  -5.386  -5.967
   56   2HB   CYS   7           HB2      CYS   7 -21.537  -4.929  -5.932
   57    H    GLY   8           HN       GLY   8 -19.712  -6.119  -6.558
   58   1HA   GLY   8           HA1      GLY   8 -20.073  -7.410  -9.228
   59   2HA   GLY   8           HA2      GLY   8 -18.518  -6.956  -8.541
   60    H    ILE   9           HN       ILE   9 -20.083  -4.443  -7.577
   61    HA   ILE   9           HA       ILE   9 -20.876  -2.941  -9.808
   62    HB   ILE   9           HB       ILE   9 -21.014  -2.390  -7.255
   63   1HG1  ILE   9          HG11      ILE   9 -21.819  -0.920  -9.099
   64   2HG1  ILE   9          HG12      ILE   9 -20.224  -0.189  -9.193
   65   1HG2  ILE   9          HG21      ILE   9 -18.400  -2.475  -7.114
   66   2HG2  ILE   9          HG22      ILE   9 -19.180  -1.120  -6.324
   67   3HG2  ILE   9          HG23      ILE   9 -18.419  -0.898  -7.891
   68   1HD1  ILE   9           HD1      ILE   9 -21.974   1.039  -7.759
   69   2HD1  ILE   9           HD2      ILE   9 -20.412   0.744  -7.003
   70   3HD1  ILE   9           HD3      ILE   9 -21.789  -0.277  -6.605
   71    NH1  ARG  10           NH1      ARG  10 -16.516  -3.520 -17.979
   72    NH2  ARG  10           NH2      ARG  10 -14.896  -1.938 -18.281
   73    H    ARG  10           HN       ARG  10 -19.818  -2.135 -11.484
   74    HA   ARG  10           HA       ARG  10 -16.852  -2.211 -11.431
   75   1HB   ARG  10           HB1      ARG  10 -18.774  -1.786 -13.766
   76   2HB   ARG  10           HB2      ARG  10 -18.128  -3.350 -13.289
   77   1HG   ARG  10           HG1      ARG  10 -15.794  -2.160 -13.509
   78   2HG   ARG  10           HG2      ARG  10 -16.679  -0.993 -14.485
   79   1HD   ARG  10           HD1      ARG  10 -17.546  -2.920 -15.868
   80   2HD   ARG  10           HD2      ARG  10 -16.465  -3.983 -14.968
   81    HE   ARG  10           HE       ARG  10 -14.650  -2.253 -15.831
   82   1HH1  ARG  10          HH11      ARG  10 -17.066  -4.074 -17.352
   83   2HH1  ARG  10          HH12      ARG  10 -16.641  -3.611 -18.966
   84   1HH2  ARG  10          HH21      ARG  10 -14.233  -1.306 -17.883
   85   2HH2  ARG  10          HH22      ARG  10 -14.994  -2.002 -19.274
   86    H    ABA  11           HN       ABU  11 -16.174  -0.348 -10.509
   87    HA   ABA  11           HA       ABU  11 -17.166   2.213 -11.717
   88   1HB   ABA  11           HB1      ABU  11 -16.416   3.265  -9.589
   89   2HB   ABA  11           HB2      ABU  11 -15.852   1.713  -9.004
   90   1HG   ABA  11           HG1      ABU  11 -18.499   1.256  -9.826
   91   2HG   ABA  11           HG2      ABU  11 -18.546   2.802  -8.989
   92   3HG   ABA  11           HG3      ABU  11 -17.927   1.375  -8.165
   93    H    LYS  12           HN       LYS  12 -15.768   2.696 -13.286
   94    HA   LYS  12           HA       LYS  12 -13.031   1.980 -13.357
   95   1HB   LYS  12           HB1      LYS  12 -12.890   3.522 -15.246
   96   2HB   LYS  12           HB2      LYS  12 -14.313   4.399 -14.696
   97   1HG   LYS  12           HG1      LYS  12 -15.708   2.404 -15.060
   98   2HG   LYS  12           HG2      LYS  12 -14.291   1.485 -15.552
   99   1HD   LYS  12           HD1      LYS  12 -14.419   3.949 -17.054
  100   2HD   LYS  12           HD2      LYS  12 -15.951   3.094 -17.193
  101   1HE   LYS  12           HE1      LYS  12 -14.401   2.336 -18.947
  102   2HE   LYS  12           HE2      LYS  12 -14.722   1.026 -17.818
  103   1HZ   LYS  12           HZ1      LYS  12 -12.652   1.301 -16.804
  104   2HZ   LYS  12           HZ2      LYS  12 -12.391   2.818 -17.522
  105   3HZ   LYS  12           HZ3      LYS  12 -12.334   1.409 -18.468
  106    H    LYS  13           HN       LYS  13 -14.244   3.804 -11.030
  107    HA   LYS  13           HA       LYS  13 -11.795   5.470 -10.876
  108   1HB   LYS  13           HB1      LYS  13 -13.219   7.280  -9.860
  109   2HB   LYS  13           HB2      LYS  13 -14.640   6.282 -10.162
  110   1HG   LYS  13           HG1      LYS  13 -14.196   6.321 -12.571
  111   2HG   LYS  13           HG2      LYS  13 -12.708   7.224 -12.309
  112   1HD   LYS  13           HD1      LYS  13 -13.886   9.161 -11.577
  113   2HD   LYS  13           HD2      LYS  13 -15.382   8.261 -11.349
  114   1HE   LYS  13           HE1      LYS  13 -14.282   8.114 -14.087
  115   2HE   LYS  13           HE2      LYS  13 -14.782   9.728 -13.595
  116   1HZ   LYS  13           HZ1      LYS  13 -16.804   8.151 -12.723
  117   2HZ   LYS  13           HZ2      LYS  13 -16.377   7.429 -14.200
  118   3HZ   LYS  13           HZ3      LYS  13 -16.810   9.070 -14.150
  119    HA   PRO  14           HA       PRO  14 -11.585   3.365  -6.893
  120   1HB   PRO  14           HB1      PRO  14  -9.354   3.724  -6.433
  121   2HB   PRO  14           HB2      PRO  14  -9.772   5.302  -5.764
  122   1HG   PRO  14           HG1      PRO  14  -8.330   4.790  -8.184
  123   2HG   PRO  14           HG2      PRO  14  -8.880   6.358  -7.594
  124   1HD   PRO  14           HD1      PRO  14 -10.395   6.427  -9.300
  125   2HD   PRO  14           HD2      PRO  14  -9.925   4.792  -9.804
  126    H    SER  15           HN       SER  15 -12.027   6.834  -7.213
  127    HA   SER  15           HA       SER  15 -12.777   7.450  -4.563
  128   1HB   SER  15           HB1      SER  15 -12.530   9.103  -6.512
  129   2HB   SER  15           HB2      SER  15 -14.027   9.350  -5.593
  130    HG   SER  15           HG1      SER  15 -15.138   8.163  -7.100
  131    H    MET  16           HN       MET  16 -14.803   6.350  -7.264
  132    HA   MET  16           HA       MET  16 -17.185   6.197  -5.636
  133   1HB   MET  16           HB1      MET  16 -17.906   4.708  -7.704
  134   2HB   MET  16           HB2      MET  16 -16.375   5.237  -8.390
  135   1HG   MET  16           HG1      MET  16 -17.011   7.582  -8.022
  136   2HG   MET  16           HG2      MET  16 -18.529   7.072  -7.330
  137   1HE   MET  16           HE1      MET  16 -19.860   5.030  -9.057
  138   2HE   MET  16           HE2      MET  16 -20.774   6.108 -10.111
  139   3HE   MET  16           HE3      MET  16 -20.546   6.521  -8.412
  140    H    LEU  17           HN       LEU  17 -14.850   3.736  -6.796
  141    HA   LEU  17           HA       LEU  17 -16.276   1.541  -5.648
  142   1HB   LEU  17           HB1      LEU  17 -13.250   1.646  -5.879
  143   2HB   LEU  17           HB2      LEU  17 -14.240   1.556  -7.321
  144    HG   LEU  17           HG       LEU  17 -13.490  -0.704  -6.563
  145   1HD1  LEU  17          HD11      LEU  17 -13.585  -0.010  -4.076
  146   2HD1  LEU  17          HD12      LEU  17 -14.099  -1.641  -4.480
  147   3HD1  LEU  17          HD13      LEU  17 -15.295  -0.400  -4.155
  148   1HD2  LEU  17          HD21      LEU  17 -16.446  -0.737  -6.040
  149   2HD2  LEU  17          HD22      LEU  17 -15.480  -1.748  -7.102
  150   3HD2  LEU  17          HD23      LEU  17 -15.890  -0.110  -7.579
  151    H    LYS  18           HN       LYS  18 -13.404   3.286  -4.510
  152    HA   LYS  18           HA       LYS  18 -12.970   2.173  -2.057
  153   1HB   LYS  18           HB1      LYS  18 -12.383   4.538  -1.260
  154   2HB   LYS  18           HB2      LYS  18 -13.041   5.137  -2.775
  155   1HG   LYS  18           HG1      LYS  18 -10.845   4.868  -3.449
  156   2HG   LYS  18           HG2      LYS  18 -11.411   3.232  -3.767
  157   1HD   LYS  18           HD1      LYS  18  -9.538   2.772  -2.472
  158   2HD   LYS  18           HD2      LYS  18 -10.765   2.864  -1.213
  159   1HE   LYS  18           HE1      LYS  18 -10.195   5.274  -0.881
  160   2HE   LYS  18           HE2      LYS  18  -8.926   5.121  -2.088
  161   1HZ   LYS  18           HZ1      LYS  18  -9.084   3.582   0.443
  162   2HZ   LYS  18           HZ2      LYS  18  -8.068   4.911   0.157
  163   3HZ   LYS  18           HZ3      LYS  18  -7.848   3.471  -0.715
  164    H    LYS  19           HN       LYS  19 -15.363   4.765  -2.634
  165    HA   LYS  19           HA       LYS  19 -16.372   4.648   0.045
  166   1HB   LYS  19           HB1      LYS  19 -17.683   5.647  -2.527
  167   2HB   LYS  19           HB2      LYS  19 -16.707   6.623  -1.433
  168   1HG   LYS  19           HG1      LYS  19 -18.571   5.505   0.276
  169   2HG   LYS  19           HG2      LYS  19 -19.516   5.779  -1.184
  170   1HD   LYS  19           HD1      LYS  19 -18.698   8.135  -1.239
  171   2HD   LYS  19           HD2      LYS  19 -17.823   7.848   0.261
  172   1HE   LYS  19           HE1      LYS  19 -20.526   6.946   0.604
  173   2HE   LYS  19           HE2      LYS  19 -20.566   8.576  -0.055
  174   1HZ   LYS  19           HZ1      LYS  19 -20.189   7.929   2.546
  175   2HZ   LYS  19           HZ2      LYS  19 -19.824   9.428   1.838
  176   3HZ   LYS  19           HZ3      LYS  19 -18.610   8.253   2.013
  177    H    HIS  20           HN       HIS  20 -17.299   3.080  -2.969
  178    HA   HIS  20           HA       HIS  20 -19.779   1.999  -2.132
  179   1HB   HIS  20           HB1      HIS  20 -17.662   0.856  -3.998
  180   2HB   HIS  20           HB2      HIS  20 -19.046   1.817  -4.486
  181    HD1  HIS  20           HD1      HIS  20 -20.998   0.373  -5.065
  182    HD2  HIS  20           HD2      HIS  20 -18.365  -1.674  -2.734
  183    HE1  HIS  20           HE1      HIS  20 -21.887  -1.902  -4.913
  184    H    ILE  21           HN       ILE  21 -16.482   0.669  -1.829
  185    HA   ILE  21           HA       ILE  21 -17.401  -1.741  -0.586
  186    HB   ILE  21           HB       ILE  21 -15.007  -1.059  -1.607
  187   1HG1  ILE  21          HG11      ILE  21 -15.775  -3.038   0.514
  188   2HG1  ILE  21          HG12      ILE  21 -14.079  -2.906   0.066
  189   1HG2  ILE  21          HG21      ILE  21 -14.470  -0.892   1.395
  190   2HG2  ILE  21          HG22      ILE  21 -14.723   0.560   0.444
  191   3HG2  ILE  21          HG23      ILE  21 -13.377  -0.495   0.075
  192   1HD1  ILE  21           HD1      ILE  21 -15.229  -4.611  -1.312
  193   2HD1  ILE  21           HD2      ILE  21 -14.675  -3.269  -2.308
  194   3HD1  ILE  21           HD3      ILE  21 -16.374  -3.394  -1.865
  195    NH1  ARG  22           NH1      ARG  22 -12.233   3.971   2.095
  196    NH2  ARG  22           NH2      ARG  22 -11.645   5.481   3.706
  197    H    ARG  22           HN       ARG  22 -16.669   1.439   0.646
  198    HA   ARG  22           HA       ARG  22 -16.498   0.664   3.424
  199   1HB   ARG  22           HB1      ARG  22 -17.134   3.155   3.761
  200   2HB   ARG  22           HB2      ARG  22 -17.204   3.274   2.008
  201   1HG   ARG  22           HG1      ARG  22 -14.855   2.397   1.906
  202   2HG   ARG  22           HG2      ARG  22 -14.801   2.446   3.664
  203   1HD   ARG  22           HD1      ARG  22 -15.726   4.972   3.054
  204   2HD   ARG  22           HD2      ARG  22 -14.613   4.658   1.724
  205    HE   ARG  22           HE       ARG  22 -13.870   4.751   4.602
  206   1HH1  ARG  22          HH11      ARG  22 -12.930   3.381   1.688
  207   2HH1  ARG  22          HH12      ARG  22 -11.315   4.006   1.700
  208   1HH2  ARG  22          HH21      ARG  22 -11.900   6.022   4.507
  209   2HH2  ARG  22          HH22      ARG  22 -10.716   5.541   3.338
  210    H    THR  23           HN       THR  23 -19.160   1.129   1.248
  211    HA   THR  23           HA       THR  23 -21.167   1.592   3.276
  212    HB   THR  23           HB       THR  23 -21.732   0.162   0.627
  213    HG1  THR  23           HG1      THR  23 -21.416   2.139  -0.339
  214   1HG2  THR  23          HG21      THR  23 -23.536   1.009   2.391
  215   2HG2  THR  23          HG22      THR  23 -23.753   1.504   0.714
  216   3HG2  THR  23          HG23      THR  23 -23.047   2.622   1.879
  217    H    HIS  24           HN       HIS  24 -19.628  -1.328   2.069
  218    HA   HIS  24           HA       HIS  24 -21.654  -3.144   3.092
  219   1HB   HIS  24           HB1      HIS  24 -19.646  -4.814   2.970
  220   2HB   HIS  24           HB2      HIS  24 -18.719  -3.468   2.318
  221    HD1  HIS  24           HD1      HIS  24 -22.078  -4.973   1.492
  222    HD2  HIS  24           HD2      HIS  24 -18.789  -3.488  -0.387
  223    HE1  HIS  24           HE1      HIS  24 -22.537  -5.182  -0.931
  224    H    THR  25           HN       THR  25 -20.081  -0.988   4.778
  225    HA   THR  25           HA       THR  25 -19.056  -2.704   6.940
  226    HB   THR  25           HB       THR  25 -18.587  -0.394   7.979
  227    HG1  THR  25           HG1      THR  25 -20.127   0.174   5.729
  228   1HG2  THR  25          HG21      THR  25 -16.760  -1.083   6.525
  229   2HG2  THR  25          HG22      THR  25 -17.220   0.504   5.921
  230   3HG2  THR  25          HG23      THR  25 -17.771  -0.947   5.091
  231    H    ASP  26           HN       ASP  26 -20.440   0.114   8.035
  232    HA   ASP  26           HA       ASP  26 -23.064  -1.059   8.644
  233   1HB   ASP  26           HB1      ASP  26 -22.595  -0.397  11.150
  234   2HB   ASP  26           HB2      ASP  26 -20.894  -0.453  10.695
  235    H    VAL  27           HN       VAL  27 -21.955   1.107   7.131
  236    HA   VAL  27           HA       VAL  27 -22.799   3.502   8.654
  237    HB   VAL  27           HB       VAL  27 -20.686   3.600   7.384
  238   1HG1  VAL  27          HG11      VAL  27 -22.383   3.041   4.934
  239   2HG1  VAL  27          HG12      VAL  27 -21.308   1.882   5.693
  240   3HG1  VAL  27          HG13      VAL  27 -20.647   3.331   4.952
  241   1HG2  VAL  27          HG21      VAL  27 -22.221   5.287   5.548
  242   2HG2  VAL  27          HG22      VAL  27 -21.074   5.756   6.797
  243   3HG2  VAL  27          HG23      VAL  27 -22.757   5.459   7.215
  244    NH1  ARG  28           NH2      ARG  28 -25.702  -2.185   1.854
  245    NH2  ARG  28           NH1      ARG  28 -25.191  -3.334   3.761
  246    H    ARG  28           HN       ARG  28 -24.869   1.800   8.103
  247    HA   ARG  28           HA       ARG  28 -26.400   3.184   5.937
  248   1HB   ARG  28           HB1      ARG  28 -27.855   1.045   6.153
  249   2HB   ARG  28           HB2      ARG  28 -26.530   0.376   7.093
  250   1HG   ARG  28           HG1      ARG  28 -25.118   1.272   4.994
  251   2HG   ARG  28           HG2      ARG  28 -26.659   1.033   4.182
  252   1HD   ARG  28           HD1      ARG  28 -26.737  -1.298   5.000
  253   2HD   ARG  28           HD2      ARG  28 -25.194  -1.064   5.821
  254    HE   ARG  28           HE       ARG  28 -24.420  -0.462   3.345
  255   1HH1  ARG  28          HH21      ARG  28 -25.795  -1.309   1.381
  256   2HH1  ARG  28          HH22      ARG  28 -25.897  -3.037   1.370
  257   1HH2  ARG  28          HH11      ARG  28 -24.900  -3.320   4.718
  258   2HH2  ARG  28          HH12      ARG  28 -25.377  -4.206   3.308
  259    HA   PRO  29           HA       PRO  29 -28.262   4.426  10.016
  260   1HB   PRO  29           HB1      PRO  29 -28.088   6.712   9.944
  261   2HB   PRO  29           HB2      PRO  29 -29.282   6.792   8.648
  262   1HG   PRO  29           HG1      PRO  29 -26.383   7.077   8.453
  263   2HG   PRO  29           HG2      PRO  29 -27.590   7.315   7.189
  264   1HD   PRO  29           HD1      PRO  29 -27.092   5.299   6.262
  265   2HD   PRO  29           HD2      PRO  29 -25.761   5.137   7.418
  266    OH   TYR  30           OH       TYR  30 -30.974   9.647   4.322
  267    H    TYR  30           HN       TYR  30 -29.634   4.471   6.766
  268    HA   TYR  30           HA       TYR  30 -32.382   4.604   7.672
  269   1HB   TYR  30           HB1      TYR  30 -32.889   3.909   5.311
  270   2HB   TYR  30           HB2      TYR  30 -31.184   3.561   5.057
  271    HD1  TYR  30           HD1      TYR  30 -33.447   6.329   6.160
  272    HD2  TYR  30           HD2      TYR  30 -29.777   5.279   4.283
  273    HE1  TYR  30           HE1      TYR  30 -33.055   8.686   5.610
  274    HE2  TYR  30           HE2      TYR  30 -29.386   7.637   3.732
  275    HH   TYR  30           HH       TYR  30 -31.638   9.915   3.681
  276    H    HIS  31           HN       HIS  31 -33.122   3.066   8.999
  277    HA   HIS  31           HA       HIS  31 -32.615   0.194   8.270
  278   1HB   HIS  31           HB1      HIS  31 -33.321  -0.033  10.841
  279   2HB   HIS  31           HB2      HIS  31 -32.841   1.659  10.912
  280    HD1  HIS  31           HD1      HIS  31 -31.422  -1.525  11.190
  281    HD2  HIS  31           HD2      HIS  31 -30.073   2.020   9.753
  282    HE1  HIS  31           HE1      HIS  31 -29.004  -1.732  11.189
  283    H    CYS  32           HN       CYS  32 -34.384  -1.121   7.979
  284    HA   CYS  32           HA       CYS  32 -36.949   0.060   7.587
  285   1HB   CYS  32           HB1      CYS  32 -35.989  -2.784   8.002
  286   2HB   CYS  32           HB2      CYS  32 -36.575  -2.053   6.534
  287    H    THR  33           HN       THR  33 -38.810   0.072   8.858
  288    HA   THR  33           HA       THR  33 -38.306   0.193  11.728
  289    HB   THR  33           HB       THR  33 -40.849   0.501  10.027
  290    HG1  THR  33           HG1      THR  33 -40.199   2.515  10.077
  291   1HG2  THR  33          HG21      THR  33 -40.347   0.564  13.022
  292   2HG2  THR  33          HG22      THR  33 -41.805   0.058  12.175
  293   3HG2  THR  33          HG23      THR  33 -41.433   1.771  12.344
  294    OH   TYR  34           OH       TYR  34 -44.845  -0.698  10.219
  295    H    TYR  34           HN       TYR  34 -38.365  -2.394   9.987
  296    HA   TYR  34           HA       TYR  34 -39.720  -3.996  12.083
  297   1HB   TYR  34           HB1      TYR  34 -40.883  -5.370  10.391
  298   2HB   TYR  34           HB2      TYR  34 -40.140  -4.456   9.087
  299    HD1  TYR  34           HD2      TYR  34 -40.748  -2.004   8.813
  300    HD2  TYR  34           HD1      TYR  34 -42.846  -4.554  11.495
  301    HE1  TYR  34           HE2      TYR  34 -42.624  -0.428   8.844
  302    HE2  TYR  34           HE1      TYR  34 -44.717  -2.969  11.530
  303    HH   TYR  34           HH       TYR  34 -45.297  -0.795  11.061
  304    H    CYS  35           HN       CYS  35 -38.314  -4.737   8.899
  305    HA   CYS  35           HA       CYS  35 -36.941  -7.065   9.725
  306   1HB   CYS  35           HB1      CYS  35 -35.583  -6.770   7.702
  307   2HB   CYS  35           HB2      CYS  35 -35.981  -5.082   7.630
  308    H    ASN  36           HN       ASN  36 -34.342  -6.807   8.996
  309    HA   ASN  36           HA       ASN  36 -33.193  -4.971  11.058
  310   1HB   ASN  36           HB1      ASN  36 -32.204  -7.755  10.244
  311   2HB   ASN  36           HB2      ASN  36 -33.133  -7.426  11.706
  312   1HD2  ASN  36          HD21      ASN  36 -30.075  -8.068  10.879
  313   2HD2  ASN  36          HD22      ASN  36 -29.225  -7.078  11.964
  314    H    PHE  37           HN       PHE  37 -33.568  -5.338   7.926
  315    HA   PHE  37           HA       PHE  37 -30.807  -5.098   6.994
  316   1HB   PHE  37           HB1      PHE  37 -33.256  -4.354   5.372
  317   2HB   PHE  37           HB2      PHE  37 -32.941  -6.047   5.742
  318    HD1  PHE  37           HD2      PHE  37 -30.575  -6.953   5.161
  319    HD2  PHE  37           HD1      PHE  37 -32.125  -3.315   3.576
  320    HE1  PHE  37           HE2      PHE  37 -28.927  -7.039   3.341
  321    HE2  PHE  37           HE1      PHE  37 -30.475  -3.407   1.760
  322    HZ   PHE  37           HZ       PHE  37 -28.877  -5.269   1.641
  323    H    SER  38           HN       SER  38 -29.964  -3.239   5.913
  324    HA   SER  38           HA       SER  38 -31.365  -0.696   6.508
  325   1HB   SER  38           HB1      SER  38 -28.396  -1.021   7.077
  326   2HB   SER  38           HB2      SER  38 -29.606  -1.373   8.319
  327    HG   SER  38           HG1      SER  38 -29.786   0.965   6.775
  328    H    PHE  39           HN       PHE  39 -30.712   1.056   5.234
  329    HA   PHE  39           HA       PHE  39 -29.107   0.296   2.826
  330   1HB   PHE  39           HB1      PHE  39 -30.696   1.441   1.478
  331   2HB   PHE  39           HB2      PHE  39 -31.303   2.381   2.840
  332    HD1  PHE  39           HD2      PHE  39 -32.539   1.114   4.708
  333    HD2  PHE  39           HD1      PHE  39 -31.731  -0.635   0.911
  334    HE1  PHE  39           HE2      PHE  39 -34.300  -0.552   5.099
  335    HE2  PHE  39           HE1      PHE  39 -33.502  -2.291   1.302
  336    HZ   PHE  39           HZ       PHE  39 -34.792  -2.247   3.394
  337    H    LYS  40           HN       LYS  40 -27.962   2.013   1.811
  338    HA   LYS  40           HA       LYS  40 -26.867   3.906   3.765
  339   1HB   LYS  40           HB1      LYS  40 -26.243   3.283   0.844
  340   2HB   LYS  40           HB2      LYS  40 -25.351   2.724   2.239
  341   1HG   LYS  40           HG1      LYS  40 -25.573   5.607   1.296
  342   2HG   LYS  40           HG2      LYS  40 -24.147   4.589   1.204
  343   1HD   LYS  40           HD1      LYS  40 -24.419   4.338   3.771
  344   2HD   LYS  40           HD2      LYS  40 -25.453   5.754   3.657
  345   1HE   LYS  40           HE1      LYS  40 -23.391   6.644   2.184
  346   2HE   LYS  40           HE2      LYS  40 -22.514   5.513   3.205
  347   1HZ   LYS  40           HZ1      LYS  40 -22.597   6.956   4.851
  348   2HZ   LYS  40           HZ2      LYS  40 -24.294   6.987   4.796
  349   3HZ   LYS  40           HZ3      LYS  40 -23.394   8.069   3.847
  350    H    THR  41           HN       THR  41 -29.243   3.911   1.315
  351    HA   THR  41           HA       THR  41 -29.345   6.900   1.448
  352    HB   THR  41           HB       THR  41 -29.913   6.964  -0.921
  353    HG1  THR  41           HG1      THR  41 -31.361   5.200  -0.739
  354   1HG2  THR  41          HG21      THR  41 -28.075   4.516  -0.778
  355   2HG2  THR  41          HG22      THR  41 -27.462   6.113  -0.358
  356   3HG2  THR  41          HG23      THR  41 -28.056   5.799  -1.986
  357    H    LYS  42           HN       LYS  42 -31.430   7.824   1.200
  358    HA   LYS  42           HA       LYS  42 -33.459   6.302   2.582
  359   1HB   LYS  42           HB1      LYS  42 -33.820   8.994   1.211
  360   2HB   LYS  42           HB2      LYS  42 -32.989   8.847   2.756
  361   1HG   LYS  42           HG1      LYS  42 -34.986   7.782   3.741
  362   2HG   LYS  42           HG2      LYS  42 -35.817   7.893   2.193
  363   1HD   LYS  42           HD1      LYS  42 -36.065  10.201   2.336
  364   2HD   LYS  42           HD2      LYS  42 -34.646  10.395   3.359
  365   1HE   LYS  42           HE1      LYS  42 -35.793   9.806   5.297
  366   2HE   LYS  42           HE2      LYS  42 -36.976   8.837   4.427
  367   1HZ   LYS  42           HZ1      LYS  42 -37.912  10.904   5.277
  368   2HZ   LYS  42           HZ2      LYS  42 -37.983  10.835   3.581
  369   3HZ   LYS  42           HZ3      LYS  42 -36.810  11.797   4.344
  370    H    GLY  43           HN       GLY  43 -32.649   6.913  -0.690
  371   1HA   GLY  43           HA1      GLY  43 -33.706   6.273  -2.689
  372   2HA   GLY  43           HA2      GLY  43 -35.223   6.703  -1.904
  373    H    ASN  44           HN       ASN  44 -32.749   4.171  -1.542
  374    HA   ASN  44           HA       ASN  44 -34.307   2.004  -2.360
  375   1HB   ASN  44           HB1      ASN  44 -32.774   0.715  -0.660
  376   2HB   ASN  44           HB2      ASN  44 -32.044   2.287  -0.351
  377   1HD2  ASN  44          HD21      ASN  44 -30.318   0.503  -1.434
  378   2HD2  ASN  44          HD22      ASN  44 -30.063   0.795  -3.086
  379    H    LEU  45           HN       LEU  45 -34.334   3.724   0.675
  380    HA   LEU  45           HA       LEU  45 -35.684   1.798   2.266
  381   1HB   LEU  45           HB1      LEU  45 -36.269   4.777   2.399
  382   2HB   LEU  45           HB2      LEU  45 -34.675   4.191   2.835
  383    HG   LEU  45           HG       LEU  45 -36.184   4.413   4.815
  384   1HD1  LEU  45          HD11      LEU  45 -37.783   2.103   3.683
  385   2HD1  LEU  45          HD12      LEU  45 -38.264   3.776   3.441
  386   3HD1  LEU  45          HD13      LEU  45 -38.161   3.116   5.068
  387   1HD2  LEU  45          HD21      LEU  45 -35.281   2.562   5.834
  388   2HD2  LEU  45          HD22      LEU  45 -34.406   2.434   4.318
  389   3HD2  LEU  45          HD23      LEU  45 -35.836   1.457   4.585
  390    H    THR  46           HN       THR  46 -37.083   4.607   0.565
  391    HA   THR  46           HA       THR  46 -39.783   3.957   0.909
  392    HB   THR  46           HB       THR  46 -38.480   5.151  -1.618
  393    HG1  THR  46           HG1      THR  46 -38.120   5.982   0.653
  394   1HG2  THR  46          HG21      THR  46 -40.727   6.476  -1.505
  395   2HG2  THR  46          HG22      THR  46 -41.277   5.255  -0.361
  396   3HG2  THR  46          HG23      THR  46 -40.881   4.797  -2.014
  397    H    LYS  47           HN       LYS  47 -37.438   2.656  -1.345
  398    HA   LYS  47           HA       LYS  47 -39.271   1.265  -3.039
  399   1HB   LYS  47           HB1      LYS  47 -36.603   0.040  -2.350
  400   2HB   LYS  47           HB2      LYS  47 -36.596   1.632  -3.099
  401   1HG   LYS  47           HG1      LYS  47 -37.983   0.771  -4.955
  402   2HG   LYS  47           HG2      LYS  47 -38.006  -0.821  -4.203
  403   1HD   LYS  47           HD1      LYS  47 -35.489  -0.839  -4.324
  404   2HD   LYS  47           HD2      LYS  47 -35.569   0.663  -5.239
  405   1HE   LYS  47           HE1      LYS  47 -37.332  -0.791  -6.667
  406   2HE   LYS  47           HE2      LYS  47 -36.330  -2.102  -6.060
  407   1HZ   LYS  47           HZ1      LYS  47 -34.868  -1.615  -7.616
  408   2HZ   LYS  47           HZ2      LYS  47 -34.612  -0.096  -6.900
  409   3HZ   LYS  47           HZ3      LYS  47 -35.779  -0.273  -8.122
  410    H    HIS  48           HN       HIS  48 -37.618   0.299  -0.057
  411    HA   HIS  48           HA       HIS  48 -38.702  -2.378  -0.076
  412   1HB   HIS  48           HB1      HIS  48 -37.568  -0.646   2.186
  413   2HB   HIS  48           HB2      HIS  48 -36.687  -1.842   1.245
  414    HD1  HIS  48           HD1      HIS  48 -38.494  -4.182   1.390
  415    HD2  HIS  48           HD2      HIS  48 -37.930  -1.797   4.659
  416    HE1  HIS  48           HE1      HIS  48 -39.046  -5.585   3.319
  417    H    MET  49           HN       MET  49 -39.998   0.686   0.718
  418    HA   MET  49           HA       MET  49 -42.072  -0.445   2.492
  419   1HB   MET  49           HB1      MET  49 -42.897   1.920   2.566
  420   2HB   MET  49           HB2      MET  49 -41.731   2.365   1.325
  421   1HG   MET  49           HG1      MET  49 -41.058   2.853   3.726
  422   2HG   MET  49           HG2      MET  49 -39.904   1.999   2.744
  423   1HE   MET  49           HE1      MET  49 -41.050   2.436   6.076
  424   2HE   MET  49           HE2      MET  49 -41.666   0.904   6.699
  425   3HE   MET  49           HE3      MET  49 -42.578   1.789   5.475
  426    H    LYS  50           HN       LYS  50 -41.744   0.787  -0.792
  427    HA   LYS  50           HA       LYS  50 -44.371   1.063  -1.614
  428   1HB   LYS  50           HB1      LYS  50 -42.160  -0.441  -3.104
  429   2HB   LYS  50           HB2      LYS  50 -42.389   1.303  -3.125
  430   1HG   LYS  50           HG1      LYS  50 -44.725   0.890  -4.025
  431   2HG   LYS  50           HG2      LYS  50 -44.288  -0.806  -4.197
  432   1HD   LYS  50           HD1      LYS  50 -42.844   1.528  -5.498
  433   2HD   LYS  50           HD2      LYS  50 -43.929   0.412  -6.318
  434   1HE   LYS  50           HE1      LYS  50 -42.321  -1.426  -5.313
  435   2HE   LYS  50           HE2      LYS  50 -41.180  -0.090  -5.211
  436   1HZ   LYS  50           HZ1      LYS  50 -42.637  -0.532  -7.718
  437   2HZ   LYS  50           HZ2      LYS  50 -41.320  -1.536  -7.341
  438   3HZ   LYS  50           HZ3      LYS  50 -41.099   0.143  -7.465
  439    H    SER  51           HN       SER  51 -42.570  -1.995  -1.430
  440    HA   SER  51           HA       SER  51 -44.725  -3.662  -2.254
  441   1HB   SER  51           HB1      SER  51 -42.701  -4.571  -0.175
  442   2HB   SER  51           HB2      SER  51 -42.152  -4.201  -1.822
  443    HG   SER  51           HG1      SER  51 -43.132  -5.926  -2.501
  444    H    LYS  52           HN       LYS  52 -46.342  -4.670  -1.131
  445    HA   LYS  52           HA       LYS  52 -47.216  -3.382   1.313
  446   1HB   LYS  52           HB1      LYS  52 -48.787  -4.309  -0.411
  447   2HB   LYS  52           HB2      LYS  52 -49.094  -5.008   1.176
  448   1HG   LYS  52           HG1      LYS  52 -48.191  -7.076   0.588
  449   2HG   LYS  52           HG2      LYS  52 -47.155  -6.385  -0.655
  450   1HD   LYS  52           HD1      LYS  52 -49.059  -7.659  -1.633
  451   2HD   LYS  52           HD2      LYS  52 -49.104  -5.959  -2.084
  452   1HE   LYS  52           HE1      LYS  52 -50.817  -5.480  -0.481
  453   2HE   LYS  52           HE2      LYS  52 -50.601  -7.032   0.319
  454   1HZ   LYS  52           HZ1      LYS  52 -52.526  -6.641  -1.377
  455   2HZ   LYS  52           HZ2      LYS  52 -51.723  -8.135  -1.298
  456   3HZ   LYS  52           HZ3      LYS  52 -51.324  -7.020  -2.516
  457    H    ALA  53           HN       ALA  53 -44.638  -4.699   1.516
  458    HA   ALA  53           HA       ALA  53 -44.745  -7.201   2.826
  459   1HB   ALA  53           HB1      ALA  53 -42.585  -6.368   3.941
  460   2HB   ALA  53           HB2      ALA  53 -42.878  -4.807   3.181
  461   3HB   ALA  53           HB3      ALA  53 -42.595  -6.232   2.185
  462    H    HIS  54           HN       HIS  54 -43.789  -4.432   4.764
  463    HA   HIS  54           HA       HIS  54 -46.104  -4.839   6.547
  464   1HB   HIS  54           HB1      HIS  54 -44.692  -6.403   7.599
  465   2HB   HIS  54           HB2      HIS  54 -44.282  -4.938   8.480
  466    HD1  HIS  54           HD1      HIS  54 -42.714  -7.521   6.652
  467    HD2  HIS  54           HD2      HIS  54 -41.878  -3.557   7.199
  468    HE1  HIS  54           HE1      HIS  54 -40.331  -7.277   6.143
  469    H    SER  55           HN       SER  55 -46.299  -2.639   5.521
  470    HA   SER  55           HA       SER  55 -44.701  -0.622   7.054
  471   1HB   SER  55           HB1      SER  55 -46.240  -0.328   4.415
  472   2HB   SER  55           HB2      SER  55 -44.476  -0.407   4.576
  473    HG   SER  55           HG1      SER  55 -46.096   1.695   4.936
  474    H    LYS  56           HN       LYS  56 -47.774  -0.269   5.351
  475    HA   LYS  56           HA       LYS  56 -49.139   0.171   7.953
  476   1HB   LYS  56           HB1      LYS  56 -50.100   2.302   7.108
  477   2HB   LYS  56           HB2      LYS  56 -49.224   2.118   5.595
  478   1HG   LYS  56           HG1      LYS  56 -47.078   2.256   6.780
  479   2HG   LYS  56           HG2      LYS  56 -47.910   2.340   8.326
  480   1HD   LYS  56           HD1      LYS  56 -47.661   4.602   7.992
  481   2HD   LYS  56           HD2      LYS  56 -49.132   4.401   7.052
  482   1HE   LYS  56           HE1      LYS  56 -46.303   4.303   5.950
  483   2HE   LYS  56           HE2      LYS  56 -47.432   5.637   5.756
  484   1HZ   LYS  56           HZ1      LYS  56 -47.798   4.531   3.834
  485   2HZ   LYS  56           HZ2      LYS  56 -48.930   3.723   4.809
  486   3HZ   LYS  56           HZ3      LYS  56 -47.424   3.009   4.487
  487    H    LYS  57           HN       LYS  57 -50.875   1.461   5.430
  488    HA   LYS  57           HA       LYS  57 -52.804  -0.661   5.519
  489   1HB   LYS  57           HB1      LYS  57 -53.607   0.811   3.384
  490   2HB   LYS  57           HB2      LYS  57 -52.491   1.965   4.105
  491   1HG   LYS  57           HG1      LYS  57 -53.672   1.676   6.296
  492   2HG   LYS  57           HG2      LYS  57 -54.834   0.624   5.495
  493   1HD   LYS  57           HD1      LYS  57 -55.357   2.504   3.909
  494   2HD   LYS  57           HD2      LYS  57 -54.302   3.544   4.859
  495   1HE   LYS  57           HE1      LYS  57 -56.686   2.047   5.992
  496   2HE   LYS  57           HE2      LYS  57 -56.725   3.736   5.502
  497   1HZ   LYS  57           HZ1      LYS  57 -56.114   2.886   7.961
  498   2HZ   LYS  57           HZ2      LYS  57 -55.616   4.375   7.313
  499   3HZ   LYS  57                 LYS  57 -54.563   3.042   7.287
   
  Start of MODEL          23
 Raw file had 499 H/Q atoms
  Start of MODEL   23
    1   1H    LYS   1           HT1      LYS   1  -9.475  -2.375 -12.189
    2   2H    LYS   1           HT2      LYS   1 -10.823  -3.377 -11.943
    3   3H    LYS   1           HT3      LYS   1  -9.352  -4.044 -12.469
    4    HA   LYS   1           HA       LYS   1  -9.210  -4.584 -10.300
    5   1HB   LYS   1           HB1      LYS   1  -7.239  -3.259 -10.524
    6   2HB   LYS   1           HB2      LYS   1  -8.005  -2.574  -9.095
    7   1HG   LYS   1           HG1      LYS   1  -7.684  -0.610 -10.251
    8   2HG   LYS   1           HG2      LYS   1  -9.215  -1.070 -10.986
    9   1HD   LYS   1           HD1      LYS   1  -7.711  -2.397 -12.676
   10   2HD   LYS   1           HD2      LYS   1  -6.425  -1.346 -12.098
   11   1HE   LYS   1           HE1      LYS   1  -7.981   0.618 -12.580
   12   2HE   LYS   1           HE2      LYS   1  -9.027  -0.525 -13.413
   13   1HZ   LYS   1           HZ1      LYS   1  -6.522  -1.016 -14.396
   14   2HZ   LYS   1           HZ2      LYS   1  -6.604   0.676 -14.291
   15   3HZ   LYS   1           HZ3      LYS   1  -7.772  -0.176 -15.182
   16    OH   TYR   2           OH       TYR   2  -7.928   3.018  -8.564
   17    H    TYR   2           HN       TYR   2 -11.083  -1.694 -10.841
   18    HA   TYR   2           HA       TYR   2 -12.024  -1.654  -8.044
   19   1HB   TYR   2           HB1      TYR   2 -13.396   0.271  -8.840
   20   2HB   TYR   2           HB2      TYR   2 -12.881  -0.040 -10.494
   21    HD1  TYR   2           HD2      TYR   2 -11.597   0.810  -7.103
   22    HD2  TYR   2           HD1      TYR   2 -10.803   0.817 -11.282
   23    HE1  TYR   2           HE2      TYR   2  -9.589   2.162  -6.720
   24    HE2  TYR   2           HE1      TYR   2  -8.792   2.166 -10.896
   25    HH   TYR   2           HH       TYR   2  -8.066   3.528  -7.763
   26    H    ILE   3           HN       ILE   3 -12.819  -3.920  -8.345
   27    HA   ILE   3           HA       ILE   3 -15.651  -3.829  -9.292
   28    HB   ILE   3           HB       ILE   3 -13.785  -6.237  -9.528
   29   1HG1  ILE   3          HG11      ILE   3 -12.980  -4.415 -10.981
   30   2HG1  ILE   3          HG12      ILE   3 -14.595  -4.218 -11.653
   31   1HG2  ILE   3          HG21      ILE   3 -16.427  -5.585 -10.928
   32   2HG2  ILE   3          HG22      ILE   3 -16.336  -6.533  -9.448
   33   3HG2  ILE   3          HG23      ILE   3 -15.589  -7.134 -10.922
   34   1HD1  ILE   3           HD1      ILE   3 -12.831  -5.722 -12.915
   35   2HD1  ILE   3           HD2      ILE   3 -14.506  -6.254 -12.806
   36   3HD1  ILE   3           HD3      ILE   3 -13.295  -6.930 -11.721
   37    H    CYS   4           HN       CYS   4 -16.782  -3.910  -7.433
   38    HA   CYS   4           HA       CYS   4 -15.895  -4.908  -4.975
   39   1HB   CYS   4           HB1      CYS   4 -18.633  -4.693  -6.208
   40   2HB   CYS   4           HB2      CYS   4 -17.929  -3.698  -4.965
   41    H    GLU   5           HN       GLU   5 -15.555  -6.844  -4.150
   42    HA   GLU   5           HA       GLU   5 -15.671  -9.181  -5.790
   43   1HB   GLU   5           HB1      GLU   5 -14.820 -10.338  -3.821
   44   2HB   GLU   5           HB2      GLU   5 -15.430  -9.078  -2.754
   45   1HG   GLU   5           HG1      GLU   5 -13.791  -7.523  -3.451
   46   2HG   GLU   5           HG2      GLU   5 -13.440  -8.420  -4.927
   47    H    GLU   6           HN       GLU   6 -18.028  -7.659  -3.850
   48    HA   GLU   6           HA       GLU   6 -19.557 -10.158  -3.548
   49   1HB   GLU   6           HB1      GLU   6 -20.269  -7.383  -2.529
   50   2HB   GLU   6           HB2      GLU   6 -19.264  -8.506  -1.621
   51   1HG   GLU   6           HG1      GLU   6 -21.091 -10.176  -1.658
   52   2HG   GLU   6           HG2      GLU   6 -22.097  -9.056  -2.573
   53    H    CYS   7           HN       CYS   7 -20.636  -6.843  -4.214
   54    HA   CYS   7           HA       CYS   7 -22.825  -7.820  -5.833
   55   1HB   CYS   7           HB1      CYS   7 -23.480  -5.589  -5.994
   56   2HB   CYS   7           HB2      CYS   7 -21.847  -4.998  -6.048
   57    H    GLY   8           HN       GLY   8 -19.592  -6.652  -6.554
   58   1HA   GLY   8           HA1      GLY   8 -19.996  -7.519  -9.345
   59   2HA   GLY   8           HA2      GLY   8 -18.458  -7.067  -8.625
   60    H    ILE   9           HN       ILE   9 -20.151  -4.654  -7.545
   61    HA   ILE   9           HA       ILE   9 -21.009  -3.030  -9.626
   62    HB   ILE   9           HB       ILE   9 -20.893  -2.601  -7.030
   63   1HG1  ILE   9          HG11      ILE   9 -20.737  -0.645  -9.285
   64   2HG1  ILE   9          HG12      ILE   9 -20.634  -0.009  -7.648
   65   1HG2  ILE   9          HG21      ILE   9 -18.272  -2.623  -7.188
   66   2HG2  ILE   9          HG22      ILE   9 -18.998  -1.329  -6.254
   67   3HG2  ILE   9          HG23      ILE   9 -18.425  -1.015  -7.886
   68   1HD1  ILE   9           HD1      ILE   9 -22.782  -1.998  -8.378
   69   2HD1  ILE   9           HD2      ILE   9 -23.000  -0.286  -8.721
   70   3HD1  ILE   9           HD3      ILE   9 -22.769  -0.829  -7.062
   71    NH1  ARG  10           NH1      ARG  10 -17.601  -1.812 -17.149
   72    NH2  ARG  10           NH2      ARG  10 -19.377  -3.239 -17.342
   73    H    ARG  10           HN       ARG  10 -20.098  -1.880 -11.216
   74    HA   ARG  10           HA       ARG  10 -17.149  -2.141 -11.543
   75   1HB   ARG  10           HB1      ARG  10 -19.257  -1.234 -13.559
   76   2HB   ARG  10           HB2      ARG  10 -18.740  -2.905 -13.378
   77   1HG   ARG  10           HG1      ARG  10 -16.415  -1.205 -13.574
   78   2HG   ARG  10           HG2      ARG  10 -17.495  -0.870 -14.924
   79   1HD   ARG  10           HD1      ARG  10 -16.497  -3.618 -14.094
   80   2HD   ARG  10           HD2      ARG  10 -15.954  -2.707 -15.502
   81    HE   ARG  10           HE       ARG  10 -18.388  -4.255 -15.343
   82   1HH1  ARG  10          HH11      ARG  10 -16.788  -1.522 -16.646
   83   2HH1  ARG  10          HH12      ARG  10 -17.877  -1.327 -17.979
   84   1HH2  ARG  10          HH21      ARG  10 -19.892  -4.018 -16.985
   85   2HH2  ARG  10          HH22      ARG  10 -19.681  -2.777 -18.175
   86    H    ABA  11           HN       ABU  11 -16.305  -0.469 -10.400
   87    HA   ABA  11           HA       ABU  11 -17.125   2.280 -11.272
   88   1HB   ABA  11           HB1      ABU  11 -16.263   2.892  -8.884
   89   2HB   ABA  11           HB2      ABU  11 -16.384   1.177  -8.540
   90   1HG   ABA  11           HG1      ABU  11 -18.764   1.196  -9.188
   91   2HG   ABA  11           HG2      ABU  11 -18.654   2.911  -9.567
   92   3HG   ABA  11           HG3      ABU  11 -18.470   2.364  -7.903
   93    H    LYS  12           HN       LYS  12 -15.452   1.865 -12.891
   94    HA   LYS  12           HA       LYS  12 -12.789   1.329 -12.599
   95   1HB   LYS  12           HB1      LYS  12 -12.514   3.354 -14.310
   96   2HB   LYS  12           HB2      LYS  12 -14.270   3.386 -14.246
   97   1HG   LYS  12           HG1      LYS  12 -13.985   1.862 -15.970
   98   2HG   LYS  12           HG2      LYS  12 -13.979   0.755 -14.603
   99   1HD   LYS  12           HD1      LYS  12 -11.516   0.811 -14.544
  100   2HD   LYS  12           HD2      LYS  12 -11.497   1.963 -15.874
  101   1HE   LYS  12           HE1      LYS  12 -11.155  -0.535 -16.461
  102   2HE   LYS  12           HE2      LYS  12 -12.317   0.370 -17.424
  103   1HZ   LYS  12           HZ1      LYS  12 -12.861  -1.952 -16.273
  104   2HZ   LYS  12           HZ2      LYS  12 -14.040  -0.770 -16.586
  105   3HZ   LYS  12           HZ3      LYS  12 -13.361  -0.903 -15.035
  106    H    LYS  13           HN       LYS  13 -14.417   4.131 -11.292
  107    HA   LYS  13           HA       LYS  13 -11.833   5.424 -10.716
  108   1HB   LYS  13           HB1      LYS  13 -13.145   7.348 -10.059
  109   2HB   LYS  13           HB2      LYS  13 -14.592   6.368  -9.856
  110   1HG   LYS  13           HG1      LYS  13 -13.435   6.156 -12.549
  111   2HG   LYS  13           HG2      LYS  13 -13.930   7.792 -12.140
  112   1HD   LYS  13           HD1      LYS  13 -16.168   7.015 -11.541
  113   2HD   LYS  13           HD2      LYS  13 -15.687   5.342 -11.794
  114   1HE   LYS  13           HE1      LYS  13 -15.028   6.891 -14.137
  115   2HE   LYS  13           HE2      LYS  13 -16.718   7.149 -13.724
  116   1HZ   LYS  13           HZ1      LYS  13 -17.251   5.023 -14.155
  117   2HZ   LYS  13           HZ2      LYS  13 -15.765   4.406 -13.608
  118   3HZ   LYS  13           HZ3      LYS  13 -15.879   5.098 -15.155
  119    HA   PRO  14           HA       PRO  14 -11.570   3.802  -6.574
  120   1HB   PRO  14           HB1      PRO  14  -9.552   4.768  -5.995
  121   2HB   PRO  14           HB2      PRO  14 -10.446   6.158  -5.376
  122   1HG   PRO  14           HG1      PRO  14  -8.724   6.151  -7.632
  123   2HG   PRO  14           HG2      PRO  14  -9.831   7.445  -7.172
  124   1HD   PRO  14           HD1      PRO  14 -11.026   6.986  -9.073
  125   2HD   PRO  14           HD2      PRO  14 -10.054   5.532  -9.368
  126    H    SER  15           HN       SER  15 -12.134   7.314  -6.292
  127    HA   SER  15           HA       SER  15 -13.581   7.488  -3.990
  128   1HB   SER  15           HB1      SER  15 -13.243   9.491  -5.351
  129   2HB   SER  15           HB2      SER  15 -15.002   9.286  -5.244
  130    HG   SER  15           HG1      SER  15 -14.516   7.790  -7.170
  131    H    MET  16           HN       MET  16 -14.982   6.520  -7.107
  132    HA   MET  16           HA       MET  16 -17.631   6.135  -6.073
  133   1HB   MET  16           HB1      MET  16 -17.734   4.571  -8.197
  134   2HB   MET  16           HB2      MET  16 -16.114   5.177  -8.517
  135   1HG   MET  16           HG1      MET  16 -17.580   6.628  -9.679
  136   2HG   MET  16           HG2      MET  16 -17.033   7.504  -8.274
  137   1HE   MET  16           HE1      MET  16 -19.943   4.911  -9.054
  138   2HE   MET  16           HE2      MET  16 -19.782   6.111 -10.335
  139   3HE   MET  16           HE3      MET  16 -21.227   6.089  -9.325
  140    H    LEU  17           HN       LEU  17 -14.984   3.822  -6.701
  141    HA   LEU  17           HA       LEU  17 -16.490   1.607  -5.613
  142   1HB   LEU  17           HB1      LEU  17 -13.459   1.745  -5.851
  143   2HB   LEU  17           HB2      LEU  17 -14.458   1.592  -7.278
  144    HG   LEU  17           HG       LEU  17 -13.514  -0.602  -6.298
  145   1HD1  LEU  17          HD11      LEU  17 -14.039   0.005  -3.918
  146   2HD1  LEU  17          HD12      LEU  17 -14.603  -1.584  -4.408
  147   3HD1  LEU  17          HD13      LEU  17 -15.741  -0.252  -4.293
  148   1HD2  LEU  17          HD21      LEU  17 -15.692  -1.857  -6.583
  149   2HD2  LEU  17          HD22      LEU  17 -15.288  -0.783  -7.914
  150   3HD2  LEU  17          HD23      LEU  17 -16.501  -0.312  -6.738
  151    H    LYS  18           HN       LYS  18 -13.561   3.247  -4.438
  152    HA   LYS  18           HA       LYS  18 -13.189   2.208  -1.970
  153   1HB   LYS  18           HB1      LYS  18 -12.629   4.559  -1.165
  154   2HB   LYS  18           HB2      LYS  18 -13.342   5.184  -2.648
  155   1HG   LYS  18           HG1      LYS  18 -11.395   4.810  -3.723
  156   2HG   LYS  18           HG2      LYS  18 -11.552   3.093  -3.391
  157   1HD   LYS  18           HD1      LYS  18  -9.437   3.888  -2.457
  158   2HD   LYS  18           HD2      LYS  18 -10.525   3.475  -1.137
  159   1HE   LYS  18           HE1      LYS  18 -10.443   5.592  -0.354
  160   2HE   LYS  18           HE2      LYS  18 -10.964   6.223  -1.911
  161   1HZ   LYS  18           HZ1      LYS  18  -8.881   7.161  -1.521
  162   2HZ   LYS  18           HZ2      LYS  18  -8.579   5.908  -2.627
  163   3HZ   LYS  18           HZ3      LYS  18  -8.209   5.697  -0.983
  164    H    LYS  19           HN       LYS  19 -15.743   4.601  -2.662
  165    HA   LYS  19           HA       LYS  19 -16.744   4.527   0.033
  166   1HB   LYS  19           HB1      LYS  19 -18.859   5.288  -1.700
  167   2HB   LYS  19           HB2      LYS  19 -17.396   5.860  -2.484
  168   1HG   LYS  19           HG1      LYS  19 -16.712   7.005  -0.399
  169   2HG   LYS  19           HG2      LYS  19 -18.149   6.395   0.409
  170   1HD   LYS  19           HD1      LYS  19 -18.806   8.565  -0.248
  171   2HD   LYS  19           HD2      LYS  19 -19.474   7.547  -1.516
  172   1HE   LYS  19           HE1      LYS  19 -18.355   8.839  -2.999
  173   2HE   LYS  19           HE2      LYS  19 -16.869   8.124  -2.397
  174   1HZ   LYS  19           HZ1      LYS  19 -17.540  10.051  -0.563
  175   2HZ   LYS  19           HZ2      LYS  19 -17.850  10.763  -2.074
  176   3HZ   LYS  19           HZ3      LYS  19 -16.309  10.138  -1.729
  177    H    HIS  20           HN       HIS  20 -17.630   2.925  -2.984
  178    HA   HIS  20           HA       HIS  20 -19.991   1.645  -2.080
  179   1HB   HIS  20           HB1      HIS  20 -17.876   0.679  -4.053
  180   2HB   HIS  20           HB2      HIS  20 -19.304   1.623  -4.468
  181    HD1  HIS  20           HD1      HIS  20 -21.303   0.186  -4.937
  182    HD2  HIS  20           HD2      HIS  20 -18.451  -1.928  -2.943
  183    HE1  HIS  20           HE1      HIS  20 -22.187  -2.091  -4.774
  184    H    ILE  21           HN       ILE  21 -16.627   0.452  -2.091
  185    HA   ILE  21           HA       ILE  21 -17.264  -2.038  -0.878
  186    HB   ILE  21           HB       ILE  21 -14.976  -1.044  -1.919
  187   1HG1  ILE  21          HG11      ILE  21 -15.222  -3.123   0.285
  188   2HG1  ILE  21          HG12      ILE  21 -13.761  -2.897  -0.668
  189   1HG2  ILE  21          HG21      ILE  21 -14.805   0.491   0.186
  190   2HG2  ILE  21          HG22      ILE  21 -13.369  -0.412  -0.237
  191   3HG2  ILE  21          HG23      ILE  21 -14.399  -0.960   1.080
  192   1HD1  ILE  21           HD1      ILE  21 -15.953  -3.044  -2.504
  193   2HD1  ILE  21           HD2      ILE  21 -16.125  -4.376  -1.366
  194   3HD1  ILE  21           HD3      ILE  21 -14.640  -4.194  -2.293
  195    NH1  ARG  22           NH1      ARG  22 -13.327   2.883   6.188
  196    NH2  ARG  22           NH2      ARG  22 -12.945   4.978   5.360
  197    H    ARG  22           HN       ARG  22 -16.772   1.153   0.480
  198    HA   ARG  22           HA       ARG  22 -16.629   0.180   3.233
  199   1HB   ARG  22           HB1      ARG  22 -17.175   2.711   3.669
  200   2HB   ARG  22           HB2      ARG  22 -17.059   2.905   1.925
  201   1HG   ARG  22           HG1      ARG  22 -14.767   2.133   1.919
  202   2HG   ARG  22           HG2      ARG  22 -14.865   1.647   3.605
  203   1HD   ARG  22           HD1      ARG  22 -15.466   4.503   2.901
  204   2HD   ARG  22           HD2      ARG  22 -13.783   3.981   2.955
  205    HE   ARG  22           HE       ARG  22 -15.660   3.860   5.278
  206   1HH1  ARG  22          HH11      ARG  22 -13.916   2.077   6.240
  207   2HH1  ARG  22          HH12      ARG  22 -12.467   2.908   6.700
  208   1HH2  ARG  22          HH21      ARG  22 -13.246   5.742   4.790
  209   2HH2  ARG  22          HH22      ARG  22 -12.078   5.038   5.858
  210    H    THR  23           HN       THR  23 -19.153   0.653   0.985
  211    HA   THR  23           HA       THR  23 -21.200   1.275   2.944
  212    HB   THR  23           HB       THR  23 -21.602  -0.038   0.182
  213    HG1  THR  23           HG1      THR  23 -21.517   2.097  -0.540
  214   1HG2  THR  23          HG21      THR  23 -23.331   1.436   2.183
  215   2HG2  THR  23          HG22      THR  23 -23.820   0.296   0.938
  216   3HG2  THR  23          HG23      THR  23 -23.491   1.968   0.513
  217    H    HIS  24           HN       HIS  24 -19.516  -1.569   2.119
  218    HA   HIS  24           HA       HIS  24 -21.693  -3.402   2.879
  219   1HB   HIS  24           HB1      HIS  24 -19.635  -5.062   2.867
  220   2HB   HIS  24           HB2      HIS  24 -18.747  -3.710   2.176
  221    HD1  HIS  24           HD1      HIS  24 -21.804  -5.734   1.378
  222    HD2  HIS  24           HD2      HIS  24 -19.093  -3.354  -0.521
  223    HE1  HIS  24           HE1      HIS  24 -22.284  -5.968  -1.039
  224    H    THR  25           HN       THR  25 -20.062  -1.294   4.654
  225    HA   THR  25           HA       THR  25 -19.364  -3.143   6.864
  226    HB   THR  25           HB       THR  25 -18.531  -0.910   7.885
  227    HG1  THR  25           HG1      THR  25 -18.500   0.658   6.010
  228   1HG2  THR  25          HG21      THR  25 -17.607  -2.089   5.287
  229   2HG2  THR  25          HG22      THR  25 -16.656  -1.733   6.726
  230   3HG2  THR  25          HG23      THR  25 -17.060  -0.444   5.596
  231    H    ASP  26           HN       ASP  26 -20.307  -0.025   7.721
  232    HA   ASP  26           HA       ASP  26 -23.101  -0.643   8.267
  233   1HB   ASP  26           HB1      ASP  26 -22.824  -0.398  10.763
  234   2HB   ASP  26           HB2      ASP  26 -21.076  -0.337  10.546
  235    H    VAL  27           HN       VAL  27 -21.439   1.266   6.905
  236    HA   VAL  27           HA       VAL  27 -21.844   3.744   8.480
  237    HB   VAL  27           HB       VAL  27 -19.676   3.418   7.347
  238   1HG1  VAL  27          HG11      VAL  27 -21.293   3.280   4.787
  239   2HG1  VAL  27          HG12      VAL  27 -20.506   1.914   5.561
  240   3HG1  VAL  27          HG13      VAL  27 -19.538   3.225   4.904
  241   1HG2  VAL  27          HG21      VAL  27 -20.712   5.435   5.487
  242   2HG2  VAL  27          HG22      VAL  27 -19.540   5.615   6.787
  243   3HG2  VAL  27          HG23      VAL  27 -21.263   5.688   7.140
  244    NH1  ARG  28           NH1      ARG  28 -26.685  -1.847   5.763
  245    NH2  ARG  28           NH2      ARG  28 -24.564  -2.462   6.346
  246    H    ARG  28           HN       ARG  28 -24.194   2.556   7.727
  247    HA   ARG  28           HA       ARG  28 -25.217   4.297   5.526
  248   1HB   ARG  28           HB1      ARG  28 -27.101   2.530   5.523
  249   2HB   ARG  28           HB2      ARG  28 -26.069   1.581   6.585
  250   1HG   ARG  28           HG1      ARG  28 -24.245   2.019   4.740
  251   2HG   ARG  28           HG2      ARG  28 -25.631   2.342   3.709
  252   1HD   ARG  28           HD1      ARG  28 -25.022  -0.033   3.553
  253   2HD   ARG  28           HD2      ARG  28 -26.587   0.126   4.347
  254    HE   ARG  28           HE       ARG  28 -24.327   0.061   6.205
  255   1HH1  ARG  28          HH11      ARG  28 -27.312  -1.140   5.432
  256   2HH1  ARG  28          HH12      ARG  28 -27.030  -2.760   5.975
  257   1HH2  ARG  28          HH21      ARG  28 -23.600  -2.217   6.451
  258   2HH2  ARG  28          HH22      ARG  28 -24.873  -3.387   6.568
  259    HA   PRO  29           HA       PRO  29 -27.083   5.838   9.497
  260   1HB   PRO  29           HB1      PRO  29 -26.347   8.009   9.543
  261   2HB   PRO  29           HB2      PRO  29 -27.411   8.417   8.197
  262   1HG   PRO  29           HG1      PRO  29 -24.523   8.050   8.154
  263   2HG   PRO  29           HG2      PRO  29 -25.573   8.560   6.831
  264   1HD   PRO  29           HD1      PRO  29 -25.440   6.504   5.875
  265   2HD   PRO  29           HD2      PRO  29 -24.278   6.028   7.122
  266    OH   TYR  30           OH       TYR  30 -28.147  11.439   3.852
  267    H    TYR  30           HN       TYR  30 -28.163   5.801   6.212
  268    HA   TYR  30           HA       TYR  30 -30.863   6.759   6.913
  269   1HB   TYR  30           HB1      TYR  30 -31.341   6.247   4.491
  270   2HB   TYR  30           HB2      TYR  30 -29.741   5.536   4.341
  271    HD1  TYR  30           HD1      TYR  30 -31.346   8.712   5.529
  272    HD2  TYR  30           HD2      TYR  30 -28.008   6.927   3.591
  273    HE1  TYR  30           HE1      TYR  30 -30.408  10.933   5.085
  274    HE2  TYR  30           HE2      TYR  30 -27.069   9.143   3.159
  275    HH   TYR  30           HH       TYR  30 -28.877  12.046   3.709
  276    H    HIS  31           HN       HIS  31 -31.582   5.232   8.429
  277    HA   HIS  31           HA       HIS  31 -31.860   2.415   7.468
  278   1HB   HIS  31           HB1      HIS  31 -32.527   2.041   9.932
  279   2HB   HIS  31           HB2      HIS  31 -32.093   3.724  10.216
  280    HD1  HIS  31           HD1      HIS  31 -30.595   0.492   9.889
  281    HD2  HIS  31           HD2      HIS  31 -29.288   4.323   9.655
  282    HE1  HIS  31           HE1      HIS  31 -28.180   0.339  10.080
  283    H    CYS  32           HN       CYS  32 -33.854   1.452   7.215
  284    HA   CYS  32           HA       CYS  32 -36.115   3.165   6.766
  285   1HB   CYS  32           HB1      CYS  32 -35.743   0.159   7.018
  286   2HB   CYS  32           HB2      CYS  32 -36.061   1.084   5.573
  287    H    THR  33           HN       THR  33 -38.076   3.301   7.950
  288    HA   THR  33           HA       THR  33 -37.638   3.188  10.846
  289    HB   THR  33           HB       THR  33 -40.198   3.950   9.310
  290    HG1  THR  33           HG1      THR  33 -38.285   5.084   8.689
  291   1HG2  THR  33          HG21      THR  33 -40.631   3.860  11.732
  292   2HG2  THR  33          HG22      THR  33 -40.303   5.551  11.374
  293   3HG2  THR  33          HG23      THR  33 -39.052   4.547  12.096
  294    OH   TYR  34           OH       TYR  34 -44.289   3.484   8.998
  295    H    TYR  34           HN       TYR  34 -38.116   0.783   8.920
  296    HA   TYR  34           HA       TYR  34 -39.886  -0.648  10.837
  297   1HB   TYR  34           HB1      TYR  34 -41.079  -1.734   8.940
  298   2HB   TYR  34           HB2      TYR  34 -40.106  -0.825   7.789
  299    HD1  TYR  34           HD2      TYR  34 -40.332   1.693   7.718
  300    HD2  TYR  34           HD1      TYR  34 -42.986  -0.736   9.988
  301    HE1  TYR  34           HE2      TYR  34 -41.948   3.537   7.805
  302    HE2  TYR  34           HE1      TYR  34 -44.600   1.108  10.073
  303    HH   TYR  34           HH       TYR  34 -45.171   3.108   8.966
  304    H    CYS  35           HN       CYS  35 -38.121  -1.246   7.816
  305    HA   CYS  35           HA       CYS  35 -37.289  -3.891   8.643
  306   1HB   CYS  35           HB1      CYS  35 -35.985  -3.866   6.590
  307   2HB   CYS  35           HB2      CYS  35 -36.036  -2.128   6.513
  308    H    ASN  36           HN       ASN  36 -34.828  -4.345   8.266
  309    HA   ASN  36           HA       ASN  36 -33.360  -2.570  10.169
  310   1HB   ASN  36           HB1      ASN  36 -32.840  -5.482   9.363
  311   2HB   ASN  36           HB2      ASN  36 -33.650  -4.984  10.846
  312   1HD2  ASN  36          HD21      ASN  36 -30.598  -5.669   9.474
  313   2HD2  ASN  36          HD22      ASN  36 -29.629  -5.023  10.710
  314    H    PHE  37           HN       PHE  37 -33.763  -2.814   7.039
  315    HA   PHE  37           HA       PHE  37 -30.963  -2.996   6.170
  316   1HB   PHE  37           HB1      PHE  37 -33.179  -1.952   4.407
  317   2HB   PHE  37           HB2      PHE  37 -33.248  -3.643   4.901
  318    HD1  PHE  37           HD2      PHE  37 -31.168  -5.098   4.475
  319    HD2  PHE  37           HD1      PHE  37 -31.701  -1.270   2.689
  320    HE1  PHE  37           HE2      PHE  37 -29.490  -5.658   2.771
  321    HE2  PHE  37           HE1      PHE  37 -30.024  -1.835   0.984
  322    HZ   PHE  37           HZ       PHE  37 -28.917  -4.027   1.025
  323    H    SER  38           HN       SER  38 -29.883  -1.266   5.090
  324    HA   SER  38           HA       SER  38 -31.018   1.428   5.531
  325   1HB   SER  38           HB1      SER  38 -28.206   0.695   6.465
  326   2HB   SER  38           HB2      SER  38 -29.598   0.713   7.555
  327    HG   SER  38           HG1      SER  38 -29.039   2.865   5.818
  328    H    PHE  39           HN       PHE  39 -29.587   3.119   4.544
  329    HA   PHE  39           HA       PHE  39 -28.069   2.032   2.215
  330   1HB   PHE  39           HB1      PHE  39 -29.255   3.522   0.744
  331   2HB   PHE  39           HB2      PHE  39 -29.918   4.441   2.093
  332    HD1  PHE  39           HD2      PHE  39 -31.634   3.365   3.588
  333    HD2  PHE  39           HD1      PHE  39 -30.330   1.495  -0.010
  334    HE1  PHE  39           HE2      PHE  39 -33.561   1.848   3.677
  335    HE2  PHE  39           HE1      PHE  39 -32.271  -0.009   0.077
  336    HZ   PHE  39           HZ       PHE  39 -33.884   0.164   1.922
  337    H    LYS  40           HN       LYS  40 -26.521   3.469   1.328
  338    HA   LYS  40           HA       LYS  40 -25.286   5.183   3.363
  339   1HB   LYS  40           HB1      LYS  40 -24.521   4.352   0.521
  340   2HB   LYS  40           HB2      LYS  40 -23.863   3.710   2.011
  341   1HG   LYS  40           HG1      LYS  40 -23.484   6.538   0.965
  342   2HG   LYS  40           HG2      LYS  40 -22.263   5.280   1.045
  343   1HD   LYS  40           HD1      LYS  40 -22.817   5.206   3.583
  344   2HD   LYS  40           HD2      LYS  40 -23.546   6.780   3.322
  345   1HE   LYS  40           HE1      LYS  40 -21.266   7.191   3.948
  346   2HE   LYS  40           HE2      LYS  40 -21.364   7.481   2.217
  347   1HZ   LYS  40           HZ1      LYS  40 -19.960   5.415   3.667
  348   2HZ   LYS  40           HZ2      LYS  40 -19.622   6.109   2.154
  349   3HZ   LYS  40           HZ3      LYS  40 -20.783   4.876   2.282
  350    H    THR  41           HN       THR  41 -27.480   5.567   0.816
  351    HA   THR  41           HA       THR  41 -27.005   8.519   0.863
  352    HB   THR  41           HB       THR  41 -27.293   8.629  -1.533
  353    HG1  THR  41           HG1      THR  41 -29.021   7.431  -1.931
  354   1HG2  THR  41          HG21      THR  41 -25.720   7.001  -2.436
  355   2HG2  THR  41          HG22      THR  41 -26.178   5.789  -1.243
  356   3HG2  THR  41          HG23      THR  41 -25.203   7.174  -0.762
  357    H    LYS  42           HN       LYS  42 -28.828   9.820   0.435
  358    HA   LYS  42           HA       LYS  42 -31.227   8.789   1.662
  359   1HB   LYS  42           HB1      LYS  42 -30.594  11.450   0.305
  360   2HB   LYS  42           HB2      LYS  42 -30.522  11.129   2.033
  361   1HG   LYS  42           HG1      LYS  42 -33.007  10.481   1.851
  362   2HG   LYS  42           HG2      LYS  42 -32.969  11.229   0.259
  363   1HD   LYS  42           HD1      LYS  42 -32.236  12.587   2.876
  364   2HD   LYS  42           HD2      LYS  42 -33.709  12.860   1.955
  365   1HE   LYS  42           HE1      LYS  42 -31.963  13.339  -0.009
  366   2HE   LYS  42           HE2      LYS  42 -30.904  13.713   1.345
  367   1HZ   LYS  42           HZ1      LYS  42 -32.598  15.450   0.239
  368   2HZ   LYS  42           HZ2      LYS  42 -32.038  15.556   1.838
  369   3HZ   LYS  42           HZ3      LYS  42 -33.552  14.858   1.513
  370    H    GLY  43           HN       GLY  43 -30.027   8.992  -1.520
  371   1HA   GLY  43           HA1      GLY  43 -31.025   8.518  -3.597
  372   2HA   GLY  43           HA2      GLY  43 -32.490   9.270  -2.966
  373    H    ASN  44           HN       ASN  44 -30.580   6.313  -2.467
  374    HA   ASN  44           HA       ASN  44 -32.534   4.483  -3.263
  375   1HB   ASN  44           HB1      ASN  44 -31.292   2.917  -1.596
  376   2HB   ASN  44           HB2      ASN  44 -30.313   4.321  -1.184
  377   1HD2  ASN  44          HD21      ASN  44 -31.588   3.477  -4.422
  378   2HD2  ASN  44          HD22      ASN  44 -30.064   3.296  -5.147
  379    H    LEU  45           HN       LEU  45 -32.012   5.967  -0.105
  380    HA   LEU  45           HA       LEU  45 -33.816   4.476   1.430
  381   1HB   LEU  45           HB1      LEU  45 -33.195   7.479   1.487
  382   2HB   LEU  45           HB2      LEU  45 -32.360   6.233   2.388
  383    HG   LEU  45           HG       LEU  45 -33.827   7.220   3.977
  384   1HD1  LEU  45          HD11      LEU  45 -35.356   8.072   1.844
  385   2HD1  LEU  45          HD12      LEU  45 -35.833   8.207   3.529
  386   3HD1  LEU  45          HD13      LEU  45 -36.403   6.860   2.558
  387   1HD2  LEU  45          HD21      LEU  45 -35.450   4.851   3.003
  388   2HD2  LEU  45          HD22      LEU  45 -35.225   5.410   4.655
  389   3HD2  LEU  45          HD23      LEU  45 -33.884   4.672   3.785
  390    H    THR  46           HN       THR  46 -34.483   7.414  -0.467
  391    HA   THR  46           HA       THR  46 -37.287   7.468   0.053
  392    HB   THR  46           HB       THR  46 -35.849   8.410  -2.505
  393    HG1  THR  46           HG1      THR  46 -35.649   9.063   0.114
  394   1HG2  THR  46          HG21      THR  46 -38.535   8.505  -2.024
  395   2HG2  THR  46          HG22      THR  46 -37.706   9.873  -2.761
  396   3HG2  THR  46          HG23      THR  46 -38.054   9.880  -1.034
  397    H    LYS  47           HN       LYS  47 -35.345   5.749  -2.295
  398    HA   LYS  47           HA       LYS  47 -37.473   4.876  -3.994
  399   1HB   LYS  47           HB1      LYS  47 -35.047   3.157  -3.399
  400   2HB   LYS  47           HB2      LYS  47 -34.825   4.704  -4.210
  401   1HG   LYS  47           HG1      LYS  47 -36.997   2.962  -5.265
  402   2HG   LYS  47           HG2      LYS  47 -35.349   2.417  -5.554
  403   1HD   LYS  47           HD1      LYS  47 -34.783   4.586  -6.561
  404   2HD   LYS  47           HD2      LYS  47 -36.400   5.188  -6.216
  405   1HE   LYS  47           HE1      LYS  47 -37.379   3.910  -7.877
  406   2HE   LYS  47           HE2      LYS  47 -36.180   2.630  -7.745
  407   1HZ   LYS  47           HZ1      LYS  47 -35.040   3.521  -9.389
  408   2HZ   LYS  47           HZ2      LYS  47 -34.944   5.016  -8.592
  409   3HZ   LYS  47           HZ3      LYS  47 -36.266   4.675  -9.600
  410    H    HIS  48           HN       HIS  48 -36.155   3.595  -0.985
  411    HA   HIS  48           HA       HIS  48 -37.729   1.143  -1.144
  412   1HB   HIS  48           HB1      HIS  48 -36.213   2.477   1.158
  413   2HB   HIS  48           HB2      HIS  48 -35.629   1.160   0.147
  414    HD1  HIS  48           HD1      HIS  48 -37.413  -0.975   0.318
  415    HD2  HIS  48           HD2      HIS  48 -37.313   1.573   3.513
  416    HE1  HIS  48           HE1      HIS  48 -38.364  -2.236   2.187
  417    H    MET  49           HN       MET  49 -37.990   4.224   0.595
  418    HA   MET  49           HA       MET  49 -40.344   3.496   2.073
  419   1HB   MET  49           HB1      MET  49 -40.614   6.124   2.066
  420   2HB   MET  49           HB2      MET  49 -39.052   6.120   1.254
  421   1HG   MET  49           HG1      MET  49 -38.500   6.282   3.527
  422   2HG   MET  49           HG2      MET  49 -38.245   4.601   3.137
  423   1HE   MET  49           HE1      MET  49 -38.051   4.120   5.771
  424   2HE   MET  49           HE2      MET  49 -39.198   4.823   6.911
  425   3HE   MET  49           HE3      MET  49 -38.223   5.872   5.880
  426    H    LYS  50           HN       LYS  50 -39.830   4.828  -1.127
  427    HA   LYS  50           HA       LYS  50 -42.485   5.679  -1.668
  428   1HB   LYS  50           HB1      LYS  50 -40.589   4.362  -3.664
  429   2HB   LYS  50           HB2      LYS  50 -40.364   6.013  -3.098
  430   1HG   LYS  50           HG1      LYS  50 -42.706   6.527  -3.870
  431   2HG   LYS  50           HG2      LYS  50 -42.778   4.914  -4.573
  432   1HD   LYS  50           HD1      LYS  50 -40.758   5.449  -5.935
  433   2HD   LYS  50           HD2      LYS  50 -40.771   7.082  -5.278
  434   1HE   LYS  50           HE1      LYS  50 -43.096   7.369  -6.173
  435   2HE   LYS  50           HE2      LYS  50 -42.966   5.785  -6.925
  436   1HZ   LYS  50           HZ1      LYS  50 -42.141   6.889  -8.648
  437   2HZ   LYS  50           HZ2      LYS  50 -40.713   7.032  -7.741
  438   3HZ   LYS  50           HZ3      LYS  50 -41.849   8.295  -7.743
  439    H    SER  51           HN       SER  51 -40.937   2.520  -2.044
  440    HA   SER  51           HA       SER  51 -42.977   1.143  -3.384
  441   1HB   SER  51           HB1      SER  51 -42.066  -0.898  -2.204
  442   2HB   SER  51           HB2      SER  51 -41.168   0.167  -1.105
  443    HG   SER  51           HG1      SER  51 -39.810  -0.225  -2.799
  444    H    LYS  52           HN       LYS  52 -44.818   0.054  -2.757
  445    HA   LYS  52           HA       LYS  52 -46.255   1.196  -0.523
  446   1HB   LYS  52           HB1      LYS  52 -47.107  -1.387  -1.839
  447   2HB   LYS  52           HB2      LYS  52 -47.077   0.076  -2.819
  448   1HG   LYS  52           HG1      LYS  52 -48.578   1.207  -1.271
  449   2HG   LYS  52           HG2      LYS  52 -48.508  -0.148  -0.151
  450   1HD   LYS  52           HD1      LYS  52 -49.525  -1.614  -1.877
  451   2HD   LYS  52           HD2      LYS  52 -49.616  -0.245  -2.978
  452   1HE   LYS  52           HE1      LYS  52 -51.172   0.909  -1.561
  453   2HE   LYS  52           HE2      LYS  52 -50.895  -0.212  -0.233
  454   1HZ   LYS  52           HZ1      LYS  52 -51.899  -1.225  -2.800
  455   2HZ   LYS  52           HZ2      LYS  52 -52.971  -0.467  -1.722
  456   3HZ   LYS  52           HZ3      LYS  52 -52.114  -1.851  -1.236
  457    H    ALA  53           HN       ALA  53 -43.746  -0.657  -0.241
  458    HA   ALA  53           HA       ALA  53 -44.334  -3.025   1.077
  459   1HB   ALA  53           HB1      ALA  53 -42.017  -2.246   0.729
  460   2HB   ALA  53           HB2      ALA  53 -42.252  -2.550   2.446
  461   3HB   ALA  53           HB3      ALA  53 -42.269  -0.899   1.834
  462    H    HIS  54           HN       HIS  54 -43.454  -0.260   3.100
  463    HA   HIS  54           HA       HIS  54 -45.946  -0.588   4.637
  464   1HB   HIS  54           HB1      HIS  54 -44.739  -2.066   5.960
  465   2HB   HIS  54           HB2      HIS  54 -44.229  -0.567   6.724
  466    HD1  HIS  54           HD1      HIS  54 -42.948  -3.317   4.729
  467    HD2  HIS  54           HD2      HIS  54 -41.554   0.333   5.945
  468    HE1  HIS  54           HE1      HIS  54 -40.521  -3.406   4.422
  469    H    SER  55           HN       SER  55 -46.405   1.514   3.976
  470    HA   SER  55           HA       SER  55 -45.263   3.556   5.730
  471   1HB   SER  55           HB1      SER  55 -45.071   3.940   2.694
  472   2HB   SER  55           HB2      SER  55 -43.691   3.470   3.705
  473    HG   SER  55           HG1      SER  55 -44.159   5.831   3.362
  474    H    LYS  56           HN       LYS  56 -47.658   3.054   6.150
  475    HA   LYS  56           HA       LYS  56 -49.479   4.421   4.265
  476   1HB   LYS  56           HB1      LYS  56 -51.238   3.648   5.914
  477   2HB   LYS  56           HB2      LYS  56 -49.963   2.995   6.929
  478   1HG   LYS  56           HG1      LYS  56 -49.956   2.158   4.056
  479   2HG   LYS  56           HG2      LYS  56 -51.244   1.509   5.059
  480   1HD   LYS  56           HD1      LYS  56 -48.460   1.426   6.165
  481   2HD   LYS  56           HD2      LYS  56 -48.863   0.297   4.877
  482   1HE   LYS  56           HE1      LYS  56 -49.322  -0.674   7.119
  483   2HE   LYS  56           HE2      LYS  56 -50.788  -0.529   6.159
  484   1HZ   LYS  56           HZ1      LYS  56 -50.891   0.236   8.546
  485   2HZ   LYS  56           HZ2      LYS  56 -51.491   1.311   7.375
  486   3HZ   LYS  56           HZ3      LYS  56 -49.959   1.572   8.061
  487    H    LYS  57           HN       LYS  57 -50.467   4.649   7.480
  488    HA   LYS  57           HA       LYS  57 -50.798   7.435   7.446
  489   1HB   LYS  57           HB1      LYS  57 -51.491   7.182   9.693
  490   2HB   LYS  57           HB2      LYS  57 -50.263   5.968  10.036
  491   1HG   LYS  57           HG1      LYS  57 -51.474   4.255   8.996
  492   2HG   LYS  57           HG2      LYS  57 -52.386   5.376   7.991
  493   1HD   LYS  57           HD1      LYS  57 -53.877   5.907   9.692
  494   2HD   LYS  57           HD2      LYS  57 -52.711   5.560  10.963
  495   1HE   LYS  57           HE1      LYS  57 -54.671   3.869  10.556
  496   2HE   LYS  57           HE2      LYS  57 -53.050   3.239  10.820
  497   1HZ   LYS  57           HZ1      LYS  57 -52.814   2.653   8.651
  498   2HZ   LYS  57           HZ2      LYS  57 -53.879   3.847   8.079
  499   3HZ   LYS  57                 LYS  57 -54.492   2.444   8.816
   
  Start of MODEL          24
 Raw file had 499 H/Q atoms
  Start of MODEL   24
    1   1H    LYS   1           HT1      LYS   1  -8.155  -3.316  -8.197
    2   2H    LYS   1           HT2      LYS   1  -7.268  -3.366  -9.644
    3   3H    LYS   1           HT3      LYS   1  -7.672  -4.809  -8.846
    4    HA   LYS   1           HA       LYS   1  -9.149  -3.328 -10.756
    5   1HB   LYS   1           HB1      LYS   1 -10.475  -5.430 -10.788
    6   2HB   LYS   1           HB2      LYS   1  -9.735  -5.942  -9.276
    7   1HG   LYS   1           HG1      LYS   1  -7.490  -5.840 -10.417
    8   2HG   LYS   1           HG2      LYS   1  -8.328  -5.515 -11.931
    9   1HD   LYS   1           HD1      LYS   1  -9.554  -7.641 -11.728
   10   2HD   LYS   1           HD2      LYS   1  -8.770  -7.961 -10.186
   11   1HE   LYS   1           HE1      LYS   1  -6.600  -8.112 -11.235
   12   2HE   LYS   1           HE2      LYS   1  -7.238  -7.525 -12.765
   13   1HZ   LYS   1           HZ1      LYS   1  -7.230  -9.746 -13.148
   14   2HZ   LYS   1           HZ2      LYS   1  -8.788  -9.596 -12.488
   15   3HZ   LYS   1           HZ3      LYS   1  -7.508 -10.158 -11.524
   16    OH   TYR   2           OH       TYR   2  -7.478   2.665  -8.459
   17    H    TYR   2           HN       TYR   2 -10.706  -1.919 -10.373
   18    HA   TYR   2           HA       TYR   2 -11.926  -1.720  -7.712
   19   1HB   TYR   2           HB1      TYR   2 -13.087   0.232  -8.692
   20   2HB   TYR   2           HB2      TYR   2 -12.553  -0.228 -10.304
   21    HD1  TYR   2           HD2      TYR   2 -11.373   0.896  -6.975
   22    HD2  TYR   2           HD1      TYR   2 -10.338   0.304 -11.055
   23    HE1  TYR   2           HE2      TYR   2  -9.310   2.180  -6.638
   24    HE2  TYR   2           HE1      TYR   2  -8.264   1.567 -10.714
   25    HH   TYR   2           HH       TYR   2  -6.797   2.048  -8.182
   26    H    ILE   3           HN       ILE   3 -12.721  -4.068  -8.190
   27    HA   ILE   3           HA       ILE   3 -15.518  -3.827  -9.220
   28    HB   ILE   3           HB       ILE   3 -13.764  -6.311  -9.482
   29   1HG1  ILE   3          HG11      ILE   3 -12.731  -4.510 -10.784
   30   2HG1  ILE   3          HG12      ILE   3 -14.282  -4.113 -11.517
   31   1HG2  ILE   3          HG21      ILE   3 -16.198  -5.469 -11.115
   32   2HG2  ILE   3          HG22      ILE   3 -16.381  -6.331  -9.591
   33   3HG2  ILE   3          HG23      ILE   3 -15.527  -7.087 -10.932
   34   1HD1  ILE   3           HD1      ILE   3 -13.222  -6.924 -11.719
   35   2HD1  ILE   3           HD2      ILE   3 -12.613  -5.684 -12.812
   36   3HD1  ILE   3           HD3      ILE   3 -14.329  -6.079 -12.796
   37    H    CYS   4           HN       CYS   4 -16.734  -3.959  -7.396
   38    HA   CYS   4           HA       CYS   4 -15.937  -5.191  -4.993
   39   1HB   CYS   4           HB1      CYS   4 -18.649  -4.619  -6.177
   40   2HB   CYS   4           HB2      CYS   4 -17.835  -3.756  -4.905
   41    H    GLU   5           HN       GLU   5 -15.606  -7.209  -4.499
   42    HA   GLU   5           HA       GLU   5 -16.230  -9.351  -6.301
   43   1HB   GLU   5           HB1      GLU   5 -15.136 -10.762  -4.670
   44   2HB   GLU   5           HB2      GLU   5 -15.466  -9.624  -3.369
   45   1HG   GLU   5           HG1      GLU   5 -13.934  -7.995  -4.323
   46   2HG   GLU   5           HG2      GLU   5 -13.713  -8.985  -5.764
   47    H    GLU   6           HN       GLU   6 -18.091  -7.788  -3.949
   48    HA   GLU   6           HA       GLU   6 -19.697 -10.166  -3.366
   49   1HB   GLU   6           HB1      GLU   6 -20.361  -7.335  -2.503
   50   2HB   GLU   6           HB2      GLU   6 -19.074  -8.226  -1.704
   51   1HG   GLU   6           HG1      GLU   6 -21.143  -8.580  -0.464
   52   2HG   GLU   6           HG2      GLU   6 -20.713 -10.088  -1.265
   53    H    CYS   7           HN       CYS   7 -20.666  -6.866  -4.259
   54    HA   CYS   7           HA       CYS   7 -23.070  -7.854  -5.544
   55   1HB   CYS   7           HB1      CYS   7 -23.572  -5.576  -5.952
   56   2HB   CYS   7           HB2      CYS   7 -21.896  -5.120  -6.024
   57    H    GLY   8           HN       GLY   8 -19.963  -6.583  -6.656
   58   1HA   GLY   8           HA1      GLY   8 -20.562  -7.724  -9.343
   59   2HA   GLY   8           HA2      GLY   8 -18.951  -7.402  -8.719
   60    H    ILE   9           HN       ILE   9 -20.210  -4.758  -7.665
   61    HA   ILE   9           HA       ILE   9 -20.940  -3.221  -9.941
   62    HB   ILE   9           HB       ILE   9 -21.042  -2.700  -7.317
   63   1HG1  ILE   9          HG11      ILE   9 -20.776  -0.857  -9.664
   64   2HG1  ILE   9          HG12      ILE   9 -20.847  -0.151  -8.054
   65   1HG2  ILE   9          HG21      ILE   9 -18.406  -2.637  -7.341
   66   2HG2  ILE   9          HG22      ILE   9 -19.234  -1.337  -6.504
   67   3HG2  ILE   9          HG23      ILE   9 -18.588  -1.069  -8.117
   68   1HD1  ILE   9           HD1      ILE   9 -23.106  -0.434  -9.148
   69   2HD1  ILE   9           HD2      ILE   9 -22.959  -1.247  -7.592
   70   3HD1  ILE   9           HD3      ILE   9 -22.855  -2.175  -9.084
   71    NH1  ARG  10           NH2      ARG  10 -16.881  -3.586 -17.846
   72    NH2  ARG  10           NH1      ARG  10 -17.134  -1.323 -18.045
   73    H    ARG  10           HN       ARG  10 -19.752  -1.856 -11.261
   74    HA   ARG  10           HA       ARG  10 -16.796  -2.291 -11.182
   75   1HB   ARG  10           HB1      ARG  10 -18.425  -1.622 -13.657
   76   2HB   ARG  10           HB2      ARG  10 -18.247  -3.284 -13.117
   77   1HG   ARG  10           HG1      ARG  10 -15.715  -2.883 -13.128
   78   2HG   ARG  10           HG2      ARG  10 -16.048  -1.370 -13.960
   79   1HD   ARG  10           HD1      ARG  10 -16.997  -4.085 -14.932
   80   2HD   ARG  10           HD2      ARG  10 -15.542  -3.281 -15.518
   81    HE   ARG  10           HE       ARG  10 -18.060  -1.741 -15.709
   82   1HH1  ARG  10          HH21      ARG  10 -16.877  -4.399 -17.265
   83   2HH1  ARG  10          HH22      ARG  10 -16.702  -3.671 -18.827
   84   1HH2  ARG  10          HH11      ARG  10 -17.320  -0.442 -17.612
   85   2HH2  ARG  10          HH12      ARG  10 -16.959  -1.371 -19.028
   86    H    ABA  11           HN       ABU  11 -16.119  -0.473 -10.188
   87    HA   ABA  11           HA       ABU  11 -16.891   2.131 -11.460
   88   1HB   ABA  11           HB1      ABU  11 -16.139   2.999  -9.087
   89   2HB   ABA  11           HB2      ABU  11 -16.372   1.339  -8.585
   90   1HG   ABA  11           HG1      ABU  11 -18.689   1.429  -9.554
   91   2HG   ABA  11           HG2      ABU  11 -18.446   3.149  -9.837
   92   3HG   ABA  11           HG3      ABU  11 -18.447   2.518  -8.193
   93    H    LYS  12           HN       LYS  12 -15.159   2.043 -12.909
   94    HA   LYS  12           HA       LYS  12 -12.494   1.437 -12.423
   95   1HB   LYS  12           HB1      LYS  12 -11.981   2.933 -14.320
   96   2HB   LYS  12           HB2      LYS  12 -13.519   3.760 -14.116
   97   1HG   LYS  12           HG1      LYS  12 -14.732   1.685 -14.633
   98   2HG   LYS  12           HG2      LYS  12 -13.210   0.811 -14.770
   99   1HD   LYS  12           HD1      LYS  12 -12.542   2.124 -16.686
  100   2HD   LYS  12           HD2      LYS  12 -13.891   3.232 -16.465
  101   1HE   LYS  12           HE1      LYS  12 -14.324   1.567 -18.273
  102   2HE   LYS  12           HE2      LYS  12 -15.488   1.443 -16.960
  103   1HZ   LYS  12           HZ1      LYS  12 -14.317  -0.415 -16.070
  104   2HZ   LYS  12           HZ2      LYS  12 -13.064  -0.245 -17.204
  105   3HZ   LYS  12           HZ3      LYS  12 -14.614  -0.713 -17.715
  106    H    LYS  13           HN       LYS  13 -14.240   4.236 -11.292
  107    HA   LYS  13           HA       LYS  13 -11.730   5.620 -10.633
  108   1HB   LYS  13           HB1      LYS  13 -13.417   7.332  -9.647
  109   2HB   LYS  13           HB2      LYS  13 -14.672   6.310 -10.340
  110   1HG   LYS  13           HG1      LYS  13 -13.702   6.571 -12.573
  111   2HG   LYS  13           HG2      LYS  13 -12.359   7.496 -11.911
  112   1HD   LYS  13           HD1      LYS  13 -13.680   9.369 -11.493
  113   2HD   LYS  13           HD2      LYS  13 -15.155   8.421 -11.337
  114   1HE   LYS  13           HE1      LYS  13 -15.127   9.724 -13.452
  115   2HE   LYS  13           HE2      LYS  13 -15.158   7.992 -13.760
  116   1HZ   LYS  13           HZ1      LYS  13 -12.775   9.754 -13.844
  117   2HZ   LYS  13           HZ2      LYS  13 -13.554   9.037 -15.171
  118   3HZ   LYS  13           HZ3      LYS  13 -12.739   8.067 -14.040
  119    HA   PRO  14           HA       PRO  14 -11.523   3.962  -6.493
  120   1HB   PRO  14           HB1      PRO  14  -9.528   4.920  -5.846
  121   2HB   PRO  14           HB2      PRO  14 -10.422   6.339  -5.298
  122   1HG   PRO  14           HG1      PRO  14  -8.632   6.226  -7.507
  123   2HG   PRO  14           HG2      PRO  14  -9.709   7.563  -7.102
  124   1HD   PRO  14           HD1      PRO  14 -10.879   7.093  -9.018
  125   2HD   PRO  14           HD2      PRO  14  -9.943   5.605  -9.259
  126    H    SER  15           HN       SER  15 -12.084   7.476  -6.222
  127    HA   SER  15           HA       SER  15 -13.596   7.628  -3.951
  128   1HB   SER  15           HB1      SER  15 -13.275   9.685  -5.155
  129   2HB   SER  15           HB2      SER  15 -15.017   9.405  -5.340
  130    HG   SER  15           HG1      SER  15 -14.716   8.980  -7.376
  131    H    MET  16           HN       MET  16 -14.796   6.539  -7.095
  132    HA   MET  16           HA       MET  16 -17.521   6.242  -6.189
  133   1HB   MET  16           HB1      MET  16 -17.555   4.681  -8.309
  134   2HB   MET  16           HB2      MET  16 -15.910   5.252  -8.562
  135   1HG   MET  16           HG1      MET  16 -17.428   6.674  -9.792
  136   2HG   MET  16           HG2      MET  16 -16.714   7.577  -8.484
  137   1HE   MET  16           HE1      MET  16 -20.942   7.314  -9.664
  138   2HE   MET  16           HE2      MET  16 -19.796   6.037 -10.073
  139   3HE   MET  16           HE3      MET  16 -19.451   7.708 -10.521
  140    H    LEU  17           HN       LEU  17 -14.983   3.800  -6.895
  141    HA   LEU  17           HA       LEU  17 -16.511   1.651  -5.755
  142   1HB   LEU  17           HB1      LEU  17 -13.463   1.797  -5.895
  143   2HB   LEU  17           HB2      LEU  17 -14.423   1.538  -7.328
  144    HG   LEU  17           HG       LEU  17 -13.485  -0.587  -6.247
  145   1HD1  LEU  17          HD11      LEU  17 -14.447  -1.456  -4.260
  146   2HD1  LEU  17          HD12      LEU  17 -15.669  -0.200  -4.206
  147   3HD1  LEU  17          HD13      LEU  17 -13.980   0.193  -3.884
  148   1HD2  LEU  17          HD21      LEU  17 -15.467  -1.924  -6.608
  149   2HD2  LEU  17          HD22      LEU  17 -15.471  -0.620  -7.784
  150   3HD2  LEU  17          HD23      LEU  17 -16.516  -0.536  -6.374
  151    H    LYS  18           HN       LYS  18 -13.651   3.360  -4.527
  152    HA   LYS  18           HA       LYS  18 -13.328   2.428  -2.009
  153   1HB   LYS  18           HB1      LYS  18 -12.947   4.882  -1.291
  154   2HB   LYS  18           HB2      LYS  18 -13.504   5.342  -2.894
  155   1HG   LYS  18           HG1      LYS  18 -11.382   5.028  -3.611
  156   2HG   LYS  18           HG2      LYS  18 -11.632   3.305  -3.361
  157   1HD   LYS  18           HD1      LYS  18 -10.876   3.541  -1.013
  158   2HD   LYS  18           HD2      LYS  18 -10.623   5.264  -1.269
  159   1HE   LYS  18           HE1      LYS  18  -8.477   4.250  -1.575
  160   2HE   LYS  18           HE2      LYS  18  -9.064   4.609  -3.194
  161   1HZ   LYS  18           HZ1      LYS  18  -8.867   2.485  -3.688
  162   2HZ   LYS  18           HZ2      LYS  18  -9.999   2.081  -2.489
  163   3HZ   LYS  18           HZ3      LYS  18  -8.344   2.131  -2.112
  164    H    LYS  19           HN       LYS  19 -15.880   4.754  -2.874
  165    HA   LYS  19           HA       LYS  19 -16.999   4.757  -0.234
  166   1HB   LYS  19           HB1      LYS  19 -18.376   5.395  -2.884
  167   2HB   LYS  19           HB2      LYS  19 -17.373   6.545  -2.007
  168   1HG   LYS  19           HG1      LYS  19 -18.874   6.333  -0.038
  169   2HG   LYS  19           HG2      LYS  19 -19.888   5.214  -0.943
  170   1HD   LYS  19           HD1      LYS  19 -21.014   7.186  -1.398
  171   2HD   LYS  19           HD2      LYS  19 -19.860   7.206  -2.727
  172   1HE   LYS  19           HE1      LYS  19 -19.536   9.337  -1.838
  173   2HE   LYS  19           HE2      LYS  19 -18.314   8.426  -0.960
  174   1HZ   LYS  19           HZ1      LYS  19 -20.800   8.268   0.375
  175   2HZ   LYS  19           HZ2      LYS  19 -20.393   9.894   0.102
  176   3HZ   LYS  19           HZ3      LYS  19 -19.318   8.878   0.937
  177    H    HIS  20           HN       HIS  20 -17.704   3.002  -3.212
  178    HA   HIS  20           HA       HIS  20 -20.077   1.702  -2.373
  179   1HB   HIS  20           HB1      HIS  20 -17.849   0.667  -4.181
  180   2HB   HIS  20           HB2      HIS  20 -19.239   1.602  -4.724
  181    HD1  HIS  20           HD1      HIS  20 -21.171   0.130  -5.322
  182    HD2  HIS  20           HD2      HIS  20 -18.552  -1.857  -2.921
  183    HE1  HIS  20           HE1      HIS  20 -22.071  -2.138  -5.113
  184    H    ILE  21           HN       ILE  21 -16.696   0.576  -2.194
  185    HA   ILE  21           HA       ILE  21 -17.372  -1.848  -0.860
  186    HB   ILE  21           HB       ILE  21 -15.087  -0.997  -1.962
  187   1HG1  ILE  21          HG11      ILE  21 -15.595  -2.965   0.246
  188   2HG1  ILE  21          HG12      ILE  21 -13.936  -2.695  -0.271
  189   1HG2  ILE  21          HG21      ILE  21 -13.471  -0.205  -0.368
  190   2HG2  ILE  21          HG22      ILE  21 -14.464  -0.674   1.007
  191   3HG2  ILE  21          HG23      ILE  21 -14.908   0.712   0.028
  192   1HD1  ILE  21           HD1      ILE  21 -14.589  -3.189  -2.612
  193   2HD1  ILE  21           HD2      ILE  21 -16.246  -3.470  -2.090
  194   3HD1  ILE  21           HD3      ILE  21 -14.962  -4.543  -1.551
  195    NH1  ARG  22           NH1      ARG  22 -15.277   6.961   3.390
  196    NH2  ARG  22           NH2      ARG  22 -16.248   6.454   5.396
  197    H    ARG  22           HN       ARG  22 -16.948   1.397   0.316
  198    HA   ARG  22           HA       ARG  22 -16.661   0.612   3.106
  199   1HB   ARG  22           HB1      ARG  22 -17.436   3.119   3.392
  200   2HB   ARG  22           HB2      ARG  22 -17.305   3.196   1.639
  201   1HG   ARG  22           HG1      ARG  22 -14.954   2.417   1.788
  202   2HG   ARG  22           HG2      ARG  22 -15.089   2.358   3.539
  203   1HD   ARG  22           HD1      ARG  22 -15.711   4.896   2.022
  204   2HD   ARG  22           HD2      ARG  22 -14.058   4.500   2.491
  205    HE   ARG  22           HE       ARG  22 -15.363   4.209   4.861
  206   1HH1  ARG  22          HH11      ARG  22 -14.812   6.651   2.561
  207   2HH1  ARG  22          HH12      ARG  22 -15.469   7.934   3.522
  208   1HH2  ARG  22          HH21      ARG  22 -16.509   5.764   6.071
  209   2HH2  ARG  22          HH22      ARG  22 -16.456   7.418   5.561
  210    H    THR  23           HN       THR  23 -19.339   0.907   0.944
  211    HA   THR  23           HA       THR  23 -21.285   1.364   3.053
  212    HB   THR  23           HB       THR  23 -21.740   0.180   0.243
  213    HG1  THR  23           HG1      THR  23 -20.941   2.113  -0.165
  214   1HG2  THR  23          HG21      THR  23 -23.891   0.092   1.292
  215   2HG2  THR  23          HG22      THR  23 -23.885   1.771   0.766
  216   3HG2  THR  23          HG23      THR  23 -23.492   1.367   2.433
  217    H    HIS  24           HN       HIS  24 -19.495  -1.357   2.111
  218    HA   HIS  24           HA       HIS  24 -21.555  -3.310   2.921
  219   1HB   HIS  24           HB1      HIS  24 -19.438  -4.883   2.746
  220   2HB   HIS  24           HB2      HIS  24 -18.648  -3.480   2.033
  221    HD1  HIS  24           HD1      HIS  24 -21.932  -5.233   1.417
  222    HD2  HIS  24           HD2      HIS  24 -18.888  -3.505  -0.661
  223    HE1  HIS  24           HE1      HIS  24 -22.514  -5.499  -0.971
  224    H    THR  25           HN       THR  25 -19.893  -1.177   4.650
  225    HA   THR  25           HA       THR  25 -18.993  -3.058   6.761
  226    HB   THR  25           HB       THR  25 -18.264  -0.766   7.814
  227    HG1  THR  25           HG1      THR  25 -18.288   0.567   5.605
  228   1HG2  THR  25          HG21      THR  25 -16.516  -1.950   6.552
  229   2HG2  THR  25          HG22      THR  25 -16.554  -0.311   5.909
  230   3HG2  THR  25          HG23      THR  25 -17.336  -1.620   5.028
  231    H    ASP  26           HN       ASP  26 -20.049   0.008   7.737
  232    HA   ASP  26           HA       ASP  26 -22.753  -0.825   8.454
  233   1HB   ASP  26           HB1      ASP  26 -22.350  -0.583  10.913
  234   2HB   ASP  26           HB2      ASP  26 -20.641  -0.291  10.605
  235    H    VAL  27           HN       VAL  27 -21.381   1.233   6.979
  236    HA   VAL  27           HA       VAL  27 -21.902   3.659   8.599
  237    HB   VAL  27           HB       VAL  27 -19.804   3.572   7.337
  238   1HG1  VAL  27          HG11      VAL  27 -20.417   1.936   5.658
  239   2HG1  VAL  27          HG12      VAL  27 -19.865   3.391   4.840
  240   3HG1  VAL  27          HG13      VAL  27 -21.586   3.040   4.949
  241   1HG2  VAL  27          HG21      VAL  27 -21.619   5.653   7.170
  242   2HG2  VAL  27          HG22      VAL  27 -21.191   5.385   5.483
  243   3HG2  VAL  27          HG23      VAL  27 -19.935   5.743   6.663
  244    NH1  ARG  28           NH2      ARG  28 -26.245  -1.728   2.639
  245    NH2  ARG  28           NH1      ARG  28 -24.566  -2.856   3.703
  246    H    ARG  28           HN       ARG  28 -24.178   2.279   8.052
  247    HA   ARG  28           HA       ARG  28 -25.539   3.877   5.923
  248   1HB   ARG  28           HB1      ARG  28 -27.254   1.945   6.113
  249   2HB   ARG  28           HB2      ARG  28 -26.048   1.112   7.087
  250   1HG   ARG  28           HG1      ARG  28 -24.574   1.943   4.907
  251   2HG   ARG  28           HG2      ARG  28 -26.126   1.541   4.185
  252   1HD   ARG  28           HD1      ARG  28 -26.044  -0.649   5.465
  253   2HD   ARG  28           HD2      ARG  28 -24.381  -0.254   5.892
  254    HE   ARG  28           HE       ARG  28 -24.049  -0.109   3.313
  255   1HH1  ARG  28          HH21      ARG  28 -26.686  -0.858   2.418
  256   2HH1  ARG  28          HH22      ARG  28 -26.622  -2.583   2.286
  257   1HH2  ARG  28          HH11      ARG  28 -23.750  -2.832   4.280
  258   2HH2  ARG  28          HH12      ARG  28 -24.915  -3.731   3.368
  259    HA   PRO  29           HA       PRO  29 -27.180   5.312  10.025
  260   1HB   PRO  29           HB1      PRO  29 -26.716   7.557   9.968
  261   2HB   PRO  29           HB2      PRO  29 -27.901   7.800   8.685
  262   1HG   PRO  29           HG1      PRO  29 -24.988   7.692   8.466
  263   2HG   PRO  29           HG2      PRO  29 -26.162   8.121   7.222
  264   1HD   PRO  29           HD1      PRO  29 -25.981   6.064   6.260
  265   2HD   PRO  29           HD2      PRO  29 -24.652   5.711   7.377
  266    OH   TYR  30           OH       TYR  30 -29.602  10.682   3.913
  267    H    TYR  30           HN       TYR  30 -28.589   5.547   6.792
  268    HA   TYR  30           HA       TYR  30 -31.274   6.095   7.671
  269   1HB   TYR  30           HB1      TYR  30 -31.886   5.181   5.370
  270   2HB   TYR  30           HB2      TYR  30 -30.209   4.704   5.162
  271    HD1  TYR  30           HD1      TYR  30 -32.182   7.729   6.177
  272    HD2  TYR  30           HD2      TYR  30 -28.799   6.231   4.075
  273    HE1  TYR  30           HE1      TYR  30 -31.637  10.000   5.432
  274    HE2  TYR  30           HE2      TYR  30 -28.255   8.502   3.333
  275    HH   TYR  30           HH       TYR  30 -28.646  10.757   3.863
  276    H    HIS  31           HN       HIS  31 -31.233   4.582   9.534
  277    HA   HIS  31           HA       HIS  31 -31.534   1.715   8.877
  278   1HB   HIS  31           HB1      HIS  31 -32.019   1.738  11.497
  279   2HB   HIS  31           HB2      HIS  31 -31.378   3.375  11.415
  280    HD1  HIS  31           HD1      HIS  31 -30.297  -0.057  11.358
  281    HD2  HIS  31           HD2      HIS  31 -28.639   3.543  10.495
  282    HE1  HIS  31           HE1      HIS  31 -27.906  -0.476  11.271
  283    H    CYS  32           HN       CYS  32 -33.451   0.616   8.889
  284    HA   CYS  32           HA       CYS  32 -35.880   2.089   8.587
  285   1HB   CYS  32           HB1      CYS  32 -35.196  -0.825   9.070
  286   2HB   CYS  32           HB2      CYS  32 -35.843  -0.090   7.624
  287    H    THR  33           HN       THR  33 -37.501   2.565  10.023
  288    HA   THR  33           HA       THR  33 -36.808   2.785  12.799
  289    HB   THR  33           HB       THR  33 -39.528   2.965  11.365
  290    HG1  THR  33           HG1      THR  33 -38.125   5.093  12.475
  291   1HG2  THR  33          HG21      THR  33 -39.934   4.498  13.470
  292   2HG2  THR  33          HG22      THR  33 -38.587   3.632  14.202
  293   3HG2  THR  33          HG23      THR  33 -40.047   2.762  13.740
  294    OH   TYR  34           OH       TYR  34 -43.902   2.341  10.826
  295    H    TYR  34           HN       TYR  34 -38.288   0.291  10.939
  296    HA   TYR  34           HA       TYR  34 -39.192  -1.125  13.383
  297   1HB   TYR  34           HB1      TYR  34 -40.401  -2.596  11.839
  298   2HB   TYR  34           HB2      TYR  34 -39.529  -1.943  10.459
  299    HD1  TYR  34           HD2      TYR  34 -39.793   0.626  10.027
  300    HD2  TYR  34           HD1      TYR  34 -42.451  -1.619  12.474
  301    HE1  TYR  34           HE2      TYR  34 -41.496   2.367   9.773
  302    HE2  TYR  34           HE1      TYR  34 -44.161   0.120  12.205
  303    HH   TYR  34           HH       TYR  34 -44.764   1.930  10.922
  304    H    CYS  35           HN       CYS  35 -37.797  -2.403  10.372
  305    HA   CYS  35           HA       CYS  35 -36.490  -4.577  11.670
  306   1HB   CYS  35           HB1      CYS  35 -35.485  -3.284   9.128
  307   2HB   CYS  35           HB2      CYS  35 -35.430  -4.963   9.565
  308    H    ASN  36           HN       ASN  36 -33.956  -4.557  10.593
  309    HA   ASN  36           HA       ASN  36 -32.588  -2.417  12.174
  310   1HB   ASN  36           HB1      ASN  36 -32.073  -5.407  11.910
  311   2HB   ASN  36           HB2      ASN  36 -32.178  -4.446  13.384
  312   1HD2  ASN  36          HD21      ASN  36 -30.309  -3.130  13.975
  313   2HD2  ASN  36          HD22      ASN  36 -28.788  -3.397  13.272
  314    H    PHE  37           HN       PHE  37 -33.139  -3.731   9.168
  315    HA   PHE  37           HA       PHE  37 -30.521  -3.524   7.998
  316   1HB   PHE  37           HB1      PHE  37 -33.023  -3.014   6.389
  317   2HB   PHE  37           HB2      PHE  37 -32.835  -4.601   7.137
  318    HD1  PHE  37           HD2      PHE  37 -30.328  -5.599   6.856
  319    HD2  PHE  37           HD1      PHE  37 -32.144  -2.768   4.245
  320    HE1  PHE  37           HE2      PHE  37 -28.774  -6.248   5.066
  321    HE2  PHE  37           HE1      PHE  37 -30.589  -3.423   2.458
  322    HZ   PHE  37           HZ       PHE  37 -28.904  -5.162   2.868
  323    H    SER  38           HN       SER  38 -29.695  -1.875   6.678
  324    HA   SER  38           HA       SER  38 -31.122   0.721   6.772
  325   1HB   SER  38           HB1      SER  38 -28.200   0.433   7.604
  326   2HB   SER  38           HB2      SER  38 -29.530   0.508   8.766
  327    HG   SER  38           HG1      SER  38 -29.481   2.581   8.453
  328    H    PHE  39           HN       PHE  39 -29.888   2.393   5.519
  329    HA   PHE  39           HA       PHE  39 -28.396   1.175   3.248
  330   1HB   PHE  39           HB1      PHE  39 -29.836   2.297   1.682
  331   2HB   PHE  39           HB2      PHE  39 -30.501   3.346   2.936
  332    HD1  PHE  39           HD2      PHE  39 -32.029   2.387   4.676
  333    HD2  PHE  39           HD1      PHE  39 -30.720   0.064   1.352
  334    HE1  PHE  39           HE2      PHE  39 -33.778   0.725   5.145
  335    HE2  PHE  39           HE1      PHE  39 -32.488  -1.579   1.811
  336    HZ   PHE  39           HZ       PHE  39 -34.017  -1.250   3.708
  337    H    LYS  40           HN       LYS  40 -27.276   2.856   1.949
  338    HA   LYS  40           HA       LYS  40 -26.047   4.804   3.788
  339   1HB   LYS  40           HB1      LYS  40 -25.442   4.059   0.883
  340   2HB   LYS  40           HB2      LYS  40 -24.635   3.388   2.281
  341   1HG   LYS  40           HG1      LYS  40 -24.596   6.347   1.565
  342   2HG   LYS  40           HG2      LYS  40 -23.321   5.217   1.153
  343   1HD   LYS  40           HD1      LYS  40 -23.273   4.653   3.685
  344   2HD   LYS  40           HD2      LYS  40 -24.168   6.153   3.891
  345   1HE   LYS  40           HE1      LYS  40 -22.041   7.024   4.001
  346   2HE   LYS  40           HE2      LYS  40 -22.242   7.059   2.254
  347   1HZ   LYS  40           HZ1      LYS  40 -21.032   4.794   3.733
  348   2HZ   LYS  40           HZ2      LYS  40 -20.138   6.048   3.016
  349   3HZ   LYS  40           HZ3      LYS  40 -21.077   5.014   2.050
  350    H    THR  41           HN       THR  41 -28.296   4.693   1.188
  351    HA   THR  41           HA       THR  41 -28.341   7.685   1.119
  352    HB   THR  41           HB       THR  41 -28.888   7.556  -1.238
  353    HG1  THR  41           HG1      THR  41 -29.165   4.781  -1.123
  354   1HG2  THR  41          HG21      THR  41 -27.313   4.953  -0.939
  355   2HG2  THR  41          HG22      THR  41 -26.525   6.483  -0.570
  356   3HG2  THR  41          HG23      THR  41 -27.141   6.179  -2.191
  357    H    LYS  42           HN       LYS  42 -30.400   8.656   0.769
  358    HA   LYS  42           HA       LYS  42 -32.455   7.406   2.353
  359   1HB   LYS  42           HB1      LYS  42 -32.540   9.921   0.625
  360   2HB   LYS  42           HB2      LYS  42 -32.050   9.883   2.314
  361   1HG   LYS  42           HG1      LYS  42 -34.235  10.219   2.818
  362   2HG   LYS  42           HG2      LYS  42 -34.501   8.554   2.316
  363   1HD   LYS  42           HD1      LYS  42 -34.891   9.317  -0.008
  364   2HD   LYS  42           HD2      LYS  42 -34.624  10.983   0.495
  365   1HE   LYS  42           HE1      LYS  42 -36.532  10.818   2.059
  366   2HE   LYS  42           HE2      LYS  42 -36.801   9.153   1.559
  367   1HZ   LYS  42           HZ1      LYS  42 -36.756  11.308  -0.444
  368   2HZ   LYS  42           HZ2      LYS  42 -38.157  11.026   0.475
  369   3HZ   LYS  42           HZ3      LYS  42 -37.526   9.795  -0.510
  370    H    GLY  43           HN       GLY  43 -31.610   7.353  -0.930
  371   1HA   GLY  43           HA1      GLY  43 -32.697   6.468  -2.817
  372   2HA   GLY  43           HA2      GLY  43 -34.199   7.084  -2.132
  373    H    ASN  44           HN       ASN  44 -31.851   4.453  -1.661
  374    HA   ASN  44           HA       ASN  44 -33.623   2.334  -1.979
  375   1HB   ASN  44           HB1      ASN  44 -31.991   1.160  -0.269
  376   2HB   ASN  44           HB2      ASN  44 -31.114   2.686  -0.309
  377   1HD2  ASN  44          HD21      ASN  44 -29.703   3.000  -2.046
  378   2HD2  ASN  44          HD22      ASN  44 -29.642   2.017  -3.428
  379    H    LEU  45           HN       LEU  45 -33.112   4.343   0.853
  380    HA   LEU  45           HA       LEU  45 -34.474   2.710   2.743
  381   1HB   LEU  45           HB1      LEU  45 -34.219   5.762   2.524
  382   2HB   LEU  45           HB2      LEU  45 -33.143   4.696   3.403
  383    HG   LEU  45           HG       LEU  45 -34.547   5.644   5.075
  384   1HD1  LEU  45          HD11      LEU  45 -36.707   6.322   4.794
  385   2HD1  LEU  45          HD12      LEU  45 -37.187   4.830   4.003
  386   3HD1  LEU  45          HD13      LEU  45 -36.399   6.096   3.080
  387   1HD2  LEU  45          HD21      LEU  45 -35.581   3.738   6.057
  388   2HD2  LEU  45          HD22      LEU  45 -34.275   3.096   5.068
  389   3HD2  LEU  45          HD23      LEU  45 -35.936   3.011   4.495
  390    H    THR  46           HN       THR  46 -35.662   5.291   0.613
  391    HA   THR  46           HA       THR  46 -38.375   5.206   1.460
  392    HB   THR  46           HB       THR  46 -37.187   5.867  -1.306
  393    HG1  THR  46           HG1      THR  46 -36.556   7.527  -0.183
  394   1HG2  THR  46          HG21      THR  46 -39.722   5.554  -1.317
  395   2HG2  THR  46          HG22      THR  46 -39.273   7.241  -1.541
  396   3HG2  THR  46          HG23      THR  46 -39.834   6.680   0.032
  397    H    LYS  47           HN       LYS  47 -36.591   3.274  -0.881
  398    HA   LYS  47           HA       LYS  47 -38.867   1.969  -2.032
  399   1HB   LYS  47           HB1      LYS  47 -35.962   1.060  -1.679
  400   2HB   LYS  47           HB2      LYS  47 -36.637   1.853  -3.094
  401   1HG   LYS  47           HG1      LYS  47 -37.328  -0.926  -2.069
  402   2HG   LYS  47           HG2      LYS  47 -36.487  -0.530  -3.561
  403   1HD   LYS  47           HD1      LYS  47 -38.642   0.874  -4.094
  404   2HD   LYS  47           HD2      LYS  47 -39.395  -0.155  -2.881
  405   1HE   LYS  47           HE1      LYS  47 -39.649  -1.135  -5.135
  406   2HE   LYS  47           HE2      LYS  47 -38.647  -2.164  -4.119
  407   1HZ   LYS  47           HZ1      LYS  47 -37.020  -1.985  -5.574
  408   2HZ   LYS  47           HZ2      LYS  47 -37.005  -0.294  -5.409
  409   3HZ   LYS  47           HZ3      LYS  47 -38.002  -1.025  -6.574
  410    H    HIS  48           HN       HIS  48 -36.829   1.198   0.761
  411    HA   HIS  48           HA       HIS  48 -38.015  -1.354   1.296
  412   1HB   HIS  48           HB1      HIS  48 -36.706   0.679   3.175
  413   2HB   HIS  48           HB2      HIS  48 -35.897  -0.661   2.372
  414    HD1  HIS  48           HD1      HIS  48 -37.203  -3.034   3.047
  415    HD2  HIS  48           HD2      HIS  48 -37.479   0.032   5.738
  416    HE1  HIS  48           HE1      HIS  48 -37.831  -4.085   5.164
  417    H    MET  49           HN       MET  49 -38.943   1.922   2.102
  418    HA   MET  49           HA       MET  49 -41.091   0.975   3.889
  419   1HB   MET  49           HB1      MET  49 -41.585   3.440   4.077
  420   2HB   MET  49           HB2      MET  49 -40.354   3.760   2.861
  421   1HG   MET  49           HG1      MET  49 -39.303   4.088   4.967
  422   2HG   MET  49           HG2      MET  49 -38.701   2.581   4.334
  423   1HE   MET  49           HE1      MET  49 -37.979   3.456   6.816
  424   2HE   MET  49           HE2      MET  49 -38.631   2.642   8.239
  425   3HE   MET  49           HE3      MET  49 -39.377   4.129   7.655
  426    H    LYS  50           HN       LYS  50 -40.646   1.850   0.589
  427    HA   LYS  50           HA       LYS  50 -43.329   2.626  -0.043
  428   1HB   LYS  50           HB1      LYS  50 -41.366   1.148  -1.857
  429   2HB   LYS  50           HB2      LYS  50 -41.238   2.869  -1.513
  430   1HG   LYS  50           HG1      LYS  50 -43.438   3.280  -2.469
  431   2HG   LYS  50           HG2      LYS  50 -43.715   1.553  -2.671
  432   1HD   LYS  50           HD1      LYS  50 -41.948   1.385  -4.311
  433   2HD   LYS  50           HD2      LYS  50 -41.414   3.031  -3.982
  434   1HE   LYS  50           HE1      LYS  50 -43.601   3.887  -4.790
  435   2HE   LYS  50           HE2      LYS  50 -44.104   2.241  -5.149
  436   1HZ   LYS  50           HZ1      LYS  50 -42.998   2.274  -7.047
  437   2HZ   LYS  50           HZ2      LYS  50 -41.576   2.836  -6.307
  438   3HZ   LYS  50           HZ3      LYS  50 -42.761   3.940  -6.818
  439    H    SER  51           HN       SER  51 -41.685  -0.509  -0.489
  440    HA   SER  51           HA       SER  51 -43.822  -2.009  -1.451
  441   1HB   SER  51           HB1      SER  51 -41.634  -2.771   0.552
  442   2HB   SER  51           HB2      SER  51 -41.650  -3.085  -1.194
  443    HG   SER  51           HG1      SER  51 -42.377  -4.900   0.023
  444    H    LYS  52           HN       LYS  52 -44.953  -3.796  -0.100
  445    HA   LYS  52           HA       LYS  52 -46.679  -2.411   1.780
  446   1HB   LYS  52           HB1      LYS  52 -47.595  -4.181   0.335
  447   2HB   LYS  52           HB2      LYS  52 -47.731  -4.715   2.006
  448   1HG   LYS  52           HG1      LYS  52 -45.605  -5.994   1.745
  449   2HG   LYS  52           HG2      LYS  52 -45.533  -5.497   0.059
  450   1HD   LYS  52           HD1      LYS  52 -47.545  -6.690  -0.474
  451   2HD   LYS  52           HD2      LYS  52 -47.922  -6.946   1.225
  452   1HE   LYS  52           HE1      LYS  52 -46.284  -8.592   1.480
  453   2HE   LYS  52           HE2      LYS  52 -45.317  -7.979   0.144
  454   1HZ   LYS  52           HZ1      LYS  52 -47.124  -8.725  -1.359
  455   2HZ   LYS  52           HZ2      LYS  52 -47.869  -9.474  -0.028
  456   3HZ   LYS  52           HZ3      LYS  52 -46.334  -9.987  -0.542
  457    H    ALA  53           HN       ALA  53 -43.766  -2.832   2.437
  458    HA   ALA  53           HA       ALA  53 -43.467  -4.730   4.517
  459   1HB   ALA  53           HB1      ALA  53 -42.202  -1.979   4.104
  460   2HB   ALA  53           HB2      ALA  53 -41.528  -3.531   3.619
  461   3HB   ALA  53           HB3      ALA  53 -41.649  -3.120   5.326
  462    H    HIS  54           HN       HIS  54 -42.829  -1.750   5.916
  463    HA   HIS  54           HA       HIS  54 -45.429  -1.607   7.311
  464   1HB   HIS  54           HB1      HIS  54 -44.424  -2.989   8.899
  465   2HB   HIS  54           HB2      HIS  54 -43.820  -1.440   9.477
  466    HD1  HIS  54           HD1      HIS  54 -42.632  -4.594   8.356
  467    HD2  HIS  54           HD2      HIS  54 -41.117  -0.797   8.286
  468    HE1  HIS  54           HE1      HIS  54 -40.219  -4.858   8.025
  469    H    SER  55           HN       SER  55 -45.594   0.412   6.273
  470    HA   SER  55           HA       SER  55 -44.358   2.573   7.809
  471   1HB   SER  55           HB1      SER  55 -43.908   2.496   4.778
  472   2HB   SER  55           HB2      SER  55 -42.673   1.995   5.949
  473    HG   SER  55           HG1      SER  55 -43.612   4.198   6.910
  474    H    LYS  56           HN       LYS  56 -46.392   1.534   5.145
  475    HA   LYS  56           HA       LYS  56 -48.099   3.959   5.589
  476   1HB   LYS  56           HB1      LYS  56 -48.710   3.818   3.210
  477   2HB   LYS  56           HB2      LYS  56 -47.816   2.312   3.030
  478   1HG   LYS  56           HG1      LYS  56 -45.711   3.486   3.557
  479   2HG   LYS  56           HG2      LYS  56 -46.596   4.991   3.776
  480   1HD   LYS  56           HD1      LYS  56 -46.976   3.515   1.201
  481   2HD   LYS  56           HD2      LYS  56 -45.460   4.378   1.434
  482   1HE   LYS  56           HE1      LYS  56 -48.233   5.580   1.726
  483   2HE   LYS  56           HE2      LYS  56 -47.153   5.830   0.360
  484   1HZ   LYS  56           HZ1      LYS  56 -46.172   7.451   1.459
  485   2HZ   LYS  56           HZ2      LYS  56 -45.764   6.397   2.727
  486   3HZ   LYS  56           HZ3      LYS  56 -47.240   7.235   2.761
  487    H    LYS  57           HN       LYS  57 -47.950   0.836   6.313
  488    HA   LYS  57           HA       LYS  57 -50.309  -0.365   5.392
  489   1HB   LYS  57           HB1      LYS  57 -48.656  -1.609   6.719
  490   2HB   LYS  57           HB2      LYS  57 -50.195  -1.669   7.572
  491   1HG   LYS  57           HG1      LYS  57 -49.476   0.231   8.993
  492   2HG   LYS  57           HG2      LYS  57 -47.935   0.280   8.143
  493   1HD   LYS  57           HD1      LYS  57 -47.599  -2.144   8.828
  494   2HD   LYS  57           HD2      LYS  57 -49.018  -1.978   9.856
  495   1HE   LYS  57           HE1      LYS  57 -46.494  -0.295  10.022
  496   2HE   LYS  57           HE2      LYS  57 -46.968  -1.554  11.156
  497   1HZ   LYS  57           HZ1      LYS  57 -47.579   0.527  12.070
  498   2HZ   LYS  57           HZ2      LYS  57 -49.012  -0.243  11.582
  499   3HZ   LYS  57                 LYS  57 -48.359   1.011  10.640
   
  Start of MODEL          25
 Raw file had 499 H/Q atoms
  Start of MODEL   25
    1   1H    LYS   1           HT1      LYS   1  -7.836  -3.269  -8.395
    2   2H    LYS   1           HT2      LYS   1  -7.695  -2.505  -9.905
    3   3H    LYS   1           HT3      LYS   1  -7.153  -4.102  -9.708
    4    HA   LYS   1           HA       LYS   1  -9.413  -3.643 -10.842
    5   1HB   LYS   1           HB1      LYS   1 -10.250  -5.710  -9.223
    6   2HB   LYS   1           HB2      LYS   1  -8.518  -5.744  -8.914
    7   1HG   LYS   1           HG1      LYS   1  -8.140  -5.756 -11.404
    8   2HG   LYS   1           HG2      LYS   1  -9.880  -5.902 -11.622
    9   1HD   LYS   1           HD1      LYS   1  -9.666  -7.937  -9.990
   10   2HD   LYS   1           HD2      LYS   1  -7.959  -7.886 -10.415
   11   1HE   LYS   1           HE1      LYS   1  -8.844  -7.788 -12.883
   12   2HE   LYS   1           HE2      LYS   1 -10.331  -8.424 -12.190
   13   1HZ   LYS   1           HZ1      LYS   1  -8.618 -10.074 -13.031
   14   2HZ   LYS   1           HZ2      LYS   1  -9.274 -10.350 -11.489
   15   3HZ   LYS   1           HZ3      LYS   1  -7.720  -9.685 -11.643
   16    OH   TYR   2           OH       TYR   2  -7.298   2.463  -8.181
   17    H    TYR   2           HN       TYR   2 -10.904  -2.147 -10.443
   18    HA   TYR   2           HA       TYR   2 -11.857  -1.757  -7.652
   19   1HB   TYR   2           HB1      TYR   2 -12.985   0.247  -8.619
   20   2HB   TYR   2           HB2      TYR   2 -12.418  -0.209 -10.223
   21    HD1  TYR   2           HD2      TYR   2 -11.290   0.804  -6.838
   22    HD2  TYR   2           HD1      TYR   2 -10.174   0.272 -10.904
   23    HE1  TYR   2           HE2      TYR   2  -9.190   1.997  -6.417
   24    HE2  TYR   2           HE1      TYR   2  -8.067   1.451 -10.482
   25    HH   TYR   2           HH       TYR   2  -6.666   1.826  -7.836
   26    H    ILE   3           HN       ILE   3 -12.758  -4.090  -8.259
   27    HA   ILE   3           HA       ILE   3 -15.599  -3.648  -9.075
   28    HB   ILE   3           HB       ILE   3 -13.944  -6.169  -9.573
   29   1HG1  ILE   3          HG11      ILE   3 -14.186  -3.655 -11.095
   30   2HG1  ILE   3          HG12      ILE   3 -14.548  -5.094 -12.041
   31   1HG2  ILE   3          HG21      ILE   3 -16.451  -6.419  -9.402
   32   2HG2  ILE   3          HG22      ILE   3 -15.881  -6.747 -11.035
   33   3HG2  ILE   3          HG23      ILE   3 -16.643  -5.204 -10.662
   34   1HD1  ILE   3           HD1      ILE   3 -12.121  -4.538 -12.100
   35   2HD1  ILE   3           HD2      ILE   3 -12.411  -6.107 -11.356
   36   3HD1  ILE   3           HD3      ILE   3 -12.054  -4.707 -10.349
   37    H    CYS   4           HN       CYS   4 -16.840  -3.930  -7.323
   38    HA   CYS   4           HA       CYS   4 -15.947  -5.201  -4.953
   39   1HB   CYS   4           HB1      CYS   4 -18.708  -4.596  -6.014
   40   2HB   CYS   4           HB2      CYS   4 -17.820  -3.710  -4.809
   41    H    GLU   5           HN       GLU   5 -15.574  -7.237  -4.586
   42    HA   GLU   5           HA       GLU   5 -16.336  -9.315  -6.401
   43   1HB   GLU   5           HB1      GLU   5 -15.429 -10.808  -4.515
   44   2HB   GLU   5           HB2      GLU   5 -15.177  -9.335  -3.584
   45   1HG   GLU   5           HG1      GLU   5 -13.946  -8.536  -5.802
   46   2HG   GLU   5           HG2      GLU   5 -13.776 -10.270  -6.068
   47    H    GLU   6           HN       GLU   6 -18.045  -7.809  -3.892
   48    HA   GLU   6           HA       GLU   6 -19.654 -10.179  -3.296
   49   1HB   GLU   6           HB1      GLU   6 -20.244  -7.353  -2.368
   50   2HB   GLU   6           HB2      GLU   6 -18.962  -8.293  -1.617
   51   1HG   GLU   6           HG1      GLU   6 -20.614 -10.103  -1.141
   52   2HG   GLU   6           HG2      GLU   6 -21.885  -9.094  -1.826
   53    H    CYS   7           HN       CYS   7 -20.590  -6.850  -4.143
   54    HA   CYS   7           HA       CYS   7 -23.076  -7.793  -5.307
   55   1HB   CYS   7           HB1      CYS   7 -23.526  -5.496  -5.751
   56   2HB   CYS   7           HB2      CYS   7 -21.837  -5.086  -5.814
   57    H    GLY   8           HN       GLY   8 -20.056  -6.444  -6.576
   58   1HA   GLY   8           HA1      GLY   8 -20.731  -7.641  -9.227
   59   2HA   GLY   8           HA2      GLY   8 -19.096  -7.333  -8.654
   60    H    ILE   9           HN       ILE   9 -20.231  -4.678  -7.558
   61    HA   ILE   9           HA       ILE   9 -21.047  -3.130  -9.805
   62    HB   ILE   9           HB       ILE   9 -21.097  -2.593  -7.208
   63   1HG1  ILE   9          HG11      ILE   9 -20.732  -0.753  -9.541
   64   2HG1  ILE   9          HG12      ILE   9 -20.742  -0.048  -7.928
   65   1HG2  ILE   9          HG21      ILE   9 -18.455  -2.679  -7.264
   66   2HG2  ILE   9          HG22      ILE   9 -19.213  -1.373  -6.370
   67   3HG2  ILE   9          HG23      ILE   9 -18.567  -1.079  -7.980
   68   1HD1  ILE   9           HD1      ILE   9 -22.909  -1.058  -7.450
   69   2HD1  ILE   9           HD2      ILE   9 -22.882  -1.923  -8.984
   70   3HD1  ILE   9           HD3      ILE   9 -23.024  -0.167  -8.965
   71    NH1  ARG  10           NH2      ARG  10 -17.020  -4.643 -17.228
   72    NH2  ARG  10           NH1      ARG  10 -19.106  -3.790 -17.609
   73    H    ARG  10           HN       ARG  10 -19.916  -1.829 -11.194
   74    HA   ARG  10           HA       ARG  10 -16.959  -2.259 -11.240
   75   1HB   ARG  10           HB1      ARG  10 -18.792  -1.606 -13.592
   76   2HB   ARG  10           HB2      ARG  10 -18.413  -3.253 -13.120
   77   1HG   ARG  10           HG1      ARG  10 -15.895  -2.259 -13.255
   78   2HG   ARG  10           HG2      ARG  10 -16.677  -1.204 -14.422
   79   1HD   ARG  10           HD1      ARG  10 -16.640  -4.240 -14.453
   80   2HD   ARG  10           HD2      ARG  10 -15.864  -3.160 -15.610
   81    HE   ARG  10           HE       ARG  10 -18.737  -2.722 -15.437
   82   1HH1  ARG  10          HH21      ARG  10 -16.214  -4.702 -16.640
   83   2HH1  ARG  10          HH22      ARG  10 -17.051  -5.155 -18.087
   84   1HH2  ARG  10          HH11      ARG  10 -19.862  -3.210 -17.307
   85   2HH2  ARG  10          HH12      ARG  10 -19.172  -4.287 -18.474
   86    H    ABA  11           HN       ABU  11 -15.877  -0.490 -10.717
   87    HA   ABA  11           HA       ABU  11 -16.894   2.147 -11.707
   88   1HB   ABA  11           HB1      ABU  11 -15.955   3.081  -9.524
   89   2HB   ABA  11           HB2      ABU  11 -15.777   1.434  -8.968
   90   1HG   ABA  11           HG1      ABU  11 -17.905   2.266  -8.150
   91   2HG   ABA  11           HG2      ABU  11 -18.234   1.087  -9.414
   92   3HG   ABA  11           HG3      ABU  11 -18.358   2.808  -9.762
   93    H    LYS  12           HN       LYS  12 -15.454   2.685 -13.208
   94    HA   LYS  12           HA       LYS  12 -12.742   1.836 -13.261
   95   1HB   LYS  12           HB1      LYS  12 -12.590   3.842 -14.948
   96   2HB   LYS  12           HB2      LYS  12 -14.322   3.999 -14.675
   97   1HG   LYS  12           HG1      LYS  12 -14.306   1.386 -15.124
   98   2HG   LYS  12           HG2      LYS  12 -12.802   1.753 -15.961
   99   1HD   LYS  12           HD1      LYS  12 -15.490   3.071 -16.488
  100   2HD   LYS  12           HD2      LYS  12 -14.713   1.875 -17.521
  101   1HE   LYS  12           HE1      LYS  12 -13.766   4.683 -16.902
  102   2HE   LYS  12           HE2      LYS  12 -14.180   4.009 -18.473
  103   1HZ   LYS  12           HZ1      LYS  12 -11.736   3.780 -16.950
  104   2HZ   LYS  12           HZ2      LYS  12 -11.987   3.711 -18.629
  105   3HZ   LYS  12           HZ3      LYS  12 -12.262   2.335 -17.670
  106    H    LYS  13           HN       LYS  13 -13.913   3.675 -10.924
  107    HA   LYS  13           HA       LYS  13 -11.364   5.175 -10.698
  108   1HB   LYS  13           HB1      LYS  13 -12.890   7.078  -9.687
  109   2HB   LYS  13           HB2      LYS  13 -14.180   6.268 -10.573
  110   1HG   LYS  13           HG1      LYS  13 -12.646   6.389 -12.626
  111   2HG   LYS  13           HG2      LYS  13 -11.646   7.496 -11.693
  112   1HD   LYS  13           HD1      LYS  13 -14.587   7.866 -12.357
  113   2HD   LYS  13           HD2      LYS  13 -13.245   8.774 -13.046
  114   1HE   LYS  13           HE1      LYS  13 -14.328   8.857 -10.233
  115   2HE   LYS  13           HE2      LYS  13 -14.016  10.195 -11.331
  116   1HZ   LYS  13           HZ1      LYS  13 -11.576   9.230 -11.108
  117   2HZ   LYS  13           HZ2      LYS  13 -12.184   8.747  -9.597
  118   3HZ   LYS  13           HZ3      LYS  13 -12.204  10.388 -10.037
  119    HA   PRO  14           HA       PRO  14 -11.380   3.682  -6.526
  120   1HB   PRO  14           HB1      PRO  14  -9.356   4.569  -5.867
  121   2HB   PRO  14           HB2      PRO  14 -10.212   6.005  -5.309
  122   1HG   PRO  14           HG1      PRO  14  -8.388   5.893  -7.477
  123   2HG   PRO  14           HG2      PRO  14  -9.473   7.235  -7.106
  124   1HD   PRO  14           HD1      PRO  14 -10.567   6.768  -9.068
  125   2HD   PRO  14           HD2      PRO  14  -9.652   5.258  -9.256
  126    H    SER  15           HN       SER  15 -11.705   7.208  -6.126
  127    HA   SER  15           HA       SER  15 -13.298   7.453  -3.952
  128   1HB   SER  15           HB1      SER  15 -12.752   9.432  -5.307
  129   2HB   SER  15           HB2      SER  15 -14.523   9.357  -5.229
  130    HG   SER  15           HG1      SER  15 -13.041   8.005  -7.219
  131    H    MET  16           HN       MET  16 -14.498   6.417  -7.119
  132    HA   MET  16           HA       MET  16 -17.254   6.269  -6.289
  133   1HB   MET  16           HB1      MET  16 -17.283   4.624  -8.360
  134   2HB   MET  16           HB2      MET  16 -15.609   5.131  -8.566
  135   1HG   MET  16           HG1      MET  16 -18.116   6.726  -8.815
  136   2HG   MET  16           HG2      MET  16 -16.725   6.688  -9.865
  137   1HE   MET  16           HE1      MET  16 -18.538   9.447  -8.136
  138   2HE   MET  16           HE2      MET  16 -18.084   8.903  -9.751
  139   3HE   MET  16           HE3      MET  16 -17.294  10.310  -9.040
  140    H    LEU  17           HN       LEU  17 -14.826   3.700  -6.864
  141    HA   LEU  17           HA       LEU  17 -16.437   1.638  -5.694
  142   1HB   LEU  17           HB1      LEU  17 -13.389   1.686  -5.708
  143   2HB   LEU  17           HB2      LEU  17 -14.284   1.477  -7.191
  144    HG   LEU  17           HG       LEU  17 -13.535  -0.696  -6.144
  145   1HD1  LEU  17          HD11      LEU  17 -13.944   0.158  -3.779
  146   2HD1  LEU  17          HD12      LEU  17 -14.469  -1.485  -4.116
  147   3HD1  LEU  17          HD13      LEU  17 -15.648  -0.185  -4.052
  148   1HD2  LEU  17          HD21      LEU  17 -16.559  -0.615  -6.109
  149   2HD2  LEU  17          HD22      LEU  17 -15.496  -1.897  -6.666
  150   3HD2  LEU  17          HD23      LEU  17 -15.662  -0.424  -7.604
  151    H    LYS  18           HN       LYS  18 -13.573   3.322  -4.483
  152    HA   LYS  18           HA       LYS  18 -13.222   2.528  -1.944
  153   1HB   LYS  18           HB1      LYS  18 -13.561   5.432  -2.832
  154   2HB   LYS  18           HB2      LYS  18 -12.079   4.495  -2.941
  155   1HG   LYS  18           HG1      LYS  18 -12.169   4.225  -0.428
  156   2HG   LYS  18           HG2      LYS  18 -13.518   5.354  -0.409
  157   1HD   LYS  18           HD1      LYS  18 -12.175   7.143  -1.231
  158   2HD   LYS  18           HD2      LYS  18 -10.880   6.055  -1.717
  159   1HE   LYS  18           HE1      LYS  18 -11.563   5.854   1.137
  160   2HE   LYS  18           HE2      LYS  18 -10.964   7.440   0.670
  161   1HZ   LYS  18           HZ1      LYS  18  -9.306   5.617   1.342
  162   2HZ   LYS  18           HZ2      LYS  18  -8.958   6.588  -0.006
  163   3HZ   LYS  18           HZ3      LYS  18  -9.562   5.016  -0.225
  164    H    LYS  19           HN       LYS  19 -15.841   4.753  -2.875
  165    HA   LYS  19           HA       LYS  19 -16.932   4.810  -0.212
  166   1HB   LYS  19           HB1      LYS  19 -18.542   5.402  -2.710
  167   2HB   LYS  19           HB2      LYS  19 -17.244   6.493  -2.236
  168   1HG   LYS  19           HG1      LYS  19 -18.355   7.215  -0.349
  169   2HG   LYS  19           HG2      LYS  19 -19.142   5.662  -0.092
  170   1HD   LYS  19           HD1      LYS  19 -20.674   6.098  -1.961
  171   2HD   LYS  19           HD2      LYS  19 -19.855   7.618  -2.302
  172   1HE   LYS  19           HE1      LYS  19 -20.719   8.667  -0.414
  173   2HE   LYS  19           HE2      LYS  19 -20.892   7.156   0.472
  174   1HZ   LYS  19           HZ1      LYS  19 -22.621   8.225  -1.672
  175   2HZ   LYS  19           HZ2      LYS  19 -23.046   7.808  -0.081
  176   3HZ   LYS  19           HZ3      LYS  19 -22.671   6.593  -1.206
  177    H    HIS  20           HN       HIS  20 -17.710   3.089  -3.198
  178    HA   HIS  20           HA       HIS  20 -20.083   1.825  -2.346
  179   1HB   HIS  20           HB1      HIS  20 -17.848   0.743  -4.120
  180   2HB   HIS  20           HB2      HIS  20 -19.250   1.649  -4.687
  181    HD1  HIS  20           HD1      HIS  20 -21.181   0.154  -5.227
  182    HD2  HIS  20           HD2      HIS  20 -18.537  -1.758  -2.795
  183    HE1  HIS  20           HE1      HIS  20 -22.063  -2.115  -4.961
  184    H    ILE  21           HN       ILE  21 -16.732   0.641  -2.172
  185    HA   ILE  21           HA       ILE  21 -17.399  -1.729  -0.761
  186    HB   ILE  21           HB       ILE  21 -15.215  -1.432  -1.865
  187   1HG1  ILE  21          HG11      ILE  21 -15.549  -2.404   0.821
  188   2HG1  ILE  21          HG12      ILE  21 -13.961  -1.669   0.686
  189   1HG2  ILE  21          HG21      ILE  21 -13.518   0.091  -0.781
  190   2HG2  ILE  21          HG22      ILE  21 -14.764   0.666   0.318
  191   3HG2  ILE  21          HG23      ILE  21 -14.902   0.971  -1.408
  192   1HD1  ILE  21           HD1      ILE  21 -13.907  -4.053   0.027
  193   2HD1  ILE  21           HD2      ILE  21 -13.524  -3.016  -1.344
  194   3HD1  ILE  21           HD3      ILE  21 -15.123  -3.740  -1.208
  195    NH1  ARG  22           NH2      ARG  22 -13.637   6.906   2.121
  196    NH2  ARG  22           NH1      ARG  22 -12.670   6.509   4.154
  197    H    ARG  22           HN       ARG  22 -16.846   1.550   0.347
  198    HA   ARG  22           HA       ARG  22 -16.620   0.847   3.150
  199   1HB   ARG  22           HB1      ARG  22 -17.418   3.353   3.372
  200   2HB   ARG  22           HB2      ARG  22 -17.295   3.389   1.618
  201   1HG   ARG  22           HG1      ARG  22 -14.924   2.492   1.877
  202   2HG   ARG  22           HG2      ARG  22 -15.087   2.789   3.604
  203   1HD   ARG  22           HD1      ARG  22 -15.856   5.195   2.818
  204   2HD   ARG  22           HD2      ARG  22 -14.983   4.773   1.346
  205    HE   ARG  22           HE       ARG  22 -13.262   4.161   3.495
  206   1HH1  ARG  22          HH21      ARG  22 -14.168   6.567   1.345
  207   2HH1  ARG  22          HH22      ARG  22 -13.318   7.854   2.134
  208   1HH2  ARG  22          HH11      ARG  22 -12.476   5.873   4.900
  209   2HH2  ARG  22          HH12      ARG  22 -12.335   7.451   4.199
  210    H    THR  23           HN       THR  23 -19.270   0.975   0.970
  211    HA   THR  23           HA       THR  23 -21.251   1.489   3.046
  212    HB   THR  23           HB       THR  23 -21.884   0.115   0.392
  213    HG1  THR  23           HG1      THR  23 -20.807   1.747  -0.432
  214   1HG2  THR  23          HG21      THR  23 -23.572   0.994   2.319
  215   2HG2  THR  23          HG22      THR  23 -23.941   1.328   0.629
  216   3HG2  THR  23          HG23      THR  23 -23.189   2.570   1.629
  217    H    HIS  24           HN       HIS  24 -19.373  -1.193   2.304
  218    HA   HIS  24           HA       HIS  24 -21.442  -3.151   3.126
  219   1HB   HIS  24           HB1      HIS  24 -19.344  -4.736   2.931
  220   2HB   HIS  24           HB2      HIS  24 -18.547  -3.351   2.194
  221    HD1  HIS  24           HD1      HIS  24 -21.882  -5.028   1.625
  222    HD2  HIS  24           HD2      HIS  24 -18.778  -3.475  -0.502
  223    HE1  HIS  24           HE1      HIS  24 -22.487  -5.319  -0.758
  224    H    THR  25           HN       THR  25 -19.671  -0.981   4.746
  225    HA   THR  25           HA       THR  25 -18.663  -2.778   6.859
  226    HB   THR  25           HB       THR  25 -18.242  -0.356   7.922
  227    HG1  THR  25           HG1      THR  25 -18.135   0.830   5.648
  228   1HG2  THR  25          HG21      THR  25 -16.341   0.057   6.268
  229   2HG2  THR  25          HG22      THR  25 -17.000  -1.228   5.261
  230   3HG2  THR  25          HG23      THR  25 -16.356  -1.602   6.856
  231    H    ASP  26           HN       ASP  26 -20.082   0.198   7.771
  232    HA   ASP  26           HA       ASP  26 -22.603  -0.999   8.640
  233   1HB   ASP  26           HB1      ASP  26 -22.138  -0.396  11.070
  234   2HB   ASP  26           HB2      ASP  26 -20.468  -0.058  10.621
  235    H    VAL  27           HN       VAL  27 -21.596   1.142   6.983
  236    HA   VAL  27           HA       VAL  27 -22.452   3.569   8.437
  237    HB   VAL  27           HB       VAL  27 -20.423   3.723   7.098
  238   1HG1  VAL  27          HG11      VAL  27 -22.140   2.501   4.942
  239   2HG1  VAL  27          HG12      VAL  27 -20.642   1.873   5.626
  240   3HG1  VAL  27          HG13      VAL  27 -20.609   3.292   4.583
  241   1HG2  VAL  27          HG21      VAL  27 -22.544   5.453   6.773
  242   2HG2  VAL  27          HG22      VAL  27 -22.144   5.046   5.106
  243   3HG2  VAL  27          HG23      VAL  27 -20.917   5.738   6.162
  244    NH1  ARG  28           NH1      ARG  28 -24.891  -1.739   8.346
  245    NH2  ARG  28           NH2      ARG  28 -25.462  -3.259   6.738
  246    H    ARG  28           HN       ARG  28 -24.506   1.818   8.115
  247    HA   ARG  28           HA       ARG  28 -26.210   3.053   5.982
  248   1HB   ARG  28           HB1      ARG  28 -27.539   0.838   6.307
  249   2HB   ARG  28           HB2      ARG  28 -26.137   0.264   7.202
  250   1HG   ARG  28           HG1      ARG  28 -24.835   1.138   5.051
  251   2HG   ARG  28           HG2      ARG  28 -26.395   0.885   4.283
  252   1HD   ARG  28           HD1      ARG  28 -25.049  -1.165   4.116
  253   2HD   ARG  28           HD2      ARG  28 -26.428  -1.446   5.176
  254    HE   ARG  28           HE       ARG  28 -23.671  -0.898   6.204
  255   1HH1  ARG  28          HH11      ARG  28 -24.517  -0.843   8.582
  256   2HH1  ARG  28          HH12      ARG  28 -25.196  -2.360   9.068
  257   1HH2  ARG  28          HH21      ARG  28 -25.516  -3.502   5.769
  258   2HH2  ARG  28          HH22      ARG  28 -25.778  -3.905   7.433
  259    HA   PRO  29           HA       PRO  29 -27.869   4.261  10.169
  260   1HB   PRO  29           HB1      PRO  29 -27.737   6.547  10.100
  261   2HB   PRO  29           HB2      PRO  29 -28.988   6.613   8.857
  262   1HG   PRO  29           HG1      PRO  29 -26.103   6.939   8.538
  263   2HG   PRO  29           HG2      PRO  29 -27.368   7.168   7.330
  264   1HD   PRO  29           HD1      PRO  29 -26.888   5.162   6.370
  265   2HD   PRO  29           HD2      PRO  29 -25.503   5.012   7.463
  266    OH   TYR  30           OH       TYR  30 -31.177   9.035   4.567
  267    H    TYR  30           HN       TYR  30 -29.303   3.691   7.094
  268    HA   TYR  30           HA       TYR  30 -32.045   4.043   8.139
  269   1HB   TYR  30           HB1      TYR  30 -32.704   3.236   5.837
  270   2HB   TYR  30           HB2      TYR  30 -31.007   2.970   5.470
  271    HD1  TYR  30           HD1      TYR  30 -33.254   5.671   6.768
  272    HD2  TYR  30           HD2      TYR  30 -29.822   4.717   4.442
  273    HE1  TYR  30           HE1      TYR  30 -33.031   8.026   6.132
  274    HE2  TYR  30           HE2      TYR  30 -29.598   7.075   3.809
  275    HH   TYR  30           HH       TYR  30 -32.028   9.335   4.241
  276    H    HIS  31           HN       HIS  31 -31.987   2.480   9.832
  277    HA   HIS  31           HA       HIS  31 -31.747  -0.362   8.975
  278   1HB   HIS  31           HB1      HIS  31 -31.539  -0.871  11.331
  279   2HB   HIS  31           HB2      HIS  31 -32.204   0.691  11.798
  280    HD1  HIS  31           HD1      HIS  31 -29.102  -0.810  10.594
  281    HD2  HIS  31           HD2      HIS  31 -30.418   2.870  11.677
  282    HE1  HIS  31           HE1      HIS  31 -27.095   0.540  10.774
  283    H    CYS  32           HN       CYS  32 -33.457  -1.759   8.971
  284    HA   CYS  32           HA       CYS  32 -36.098  -0.744   8.779
  285   1HB   CYS  32           HB1      CYS  32 -34.931  -3.491   9.294
  286   2HB   CYS  32           HB2      CYS  32 -35.701  -2.903   7.846
  287    H    THR  33           HN       THR  33 -37.866  -0.865  10.216
  288    HA   THR  33           HA       THR  33 -37.098  -0.417  12.999
  289    HB   THR  33           HB       THR  33 -39.956  -0.661  11.909
  290    HG1  THR  33           HG1      THR  33 -39.529   1.082  10.812
  291   1HG2  THR  33          HG21      THR  33 -39.616  -0.239  14.402
  292   2HG2  THR  33          HG22      THR  33 -40.326   1.158  13.599
  293   3HG2  THR  33          HG23      THR  33 -38.611   1.149  13.996
  294    OH   TYR  34           OH       TYR  34 -43.672  -2.032  12.545
  295    H    TYR  34           HN       TYR  34 -37.078  -3.147  11.499
  296    HA   TYR  34           HA       TYR  34 -38.094  -4.651  13.844
  297   1HB   TYR  34           HB1      TYR  34 -39.259  -6.276  12.361
  298   2HB   TYR  34           HB2      TYR  34 -38.777  -5.351  10.944
  299    HD1  TYR  34           HD2      TYR  34 -39.802  -3.153  10.486
  300    HD2  TYR  34           HD1      TYR  34 -41.022  -5.465  13.840
  301    HE1  TYR  34           HE2      TYR  34 -41.802  -1.756  10.722
  302    HE2  TYR  34           HE1      TYR  34 -43.023  -4.067  14.073
  303    HH   TYR  34           HH       TYR  34 -44.401  -2.486  12.116
  304    H    CYS  35           HN       CYS  35 -36.887  -5.449  10.598
  305    HA   CYS  35           HA       CYS  35 -35.270  -7.626  11.464
  306   1HB   CYS  35           HB1      CYS  35 -34.218  -7.456   9.264
  307   2HB   CYS  35           HB2      CYS  35 -34.746  -5.809   9.088
  308    H    ASN  36           HN       ASN  36 -32.813  -7.259  10.387
  309    HA   ASN  36           HA       ASN  36 -31.583  -5.160  12.130
  310   1HB   ASN  36           HB1      ASN  36 -30.526  -7.943  11.403
  311   2HB   ASN  36           HB2      ASN  36 -31.171  -7.484  12.977
  312   1HD2  ASN  36          HD21      ASN  36 -28.481  -8.424  12.657
  313   2HD2  ASN  36          HD22      ASN  36 -27.423  -7.144  13.014
  314    H    PHE  37           HN       PHE  37 -32.290  -5.846   9.084
  315    HA   PHE  37           HA       PHE  37 -29.667  -5.347   7.860
  316   1HB   PHE  37           HB1      PHE  37 -32.294  -5.169   6.369
  317   2HB   PHE  37           HB2      PHE  37 -31.752  -6.747   6.943
  318    HD1  PHE  37           HD2      PHE  37 -29.305  -7.426   6.336
  319    HD2  PHE  37           HD1      PHE  37 -31.422  -4.302   4.366
  320    HE1  PHE  37           HE2      PHE  37 -27.761  -7.577   4.431
  321    HE2  PHE  37           HE1      PHE  37 -29.877  -4.456   2.464
  322    HZ   PHE  37           HZ       PHE  37 -28.046  -6.092   2.496
  323    H    SER  38           HN       SER  38 -29.180  -3.502   6.605
  324    HA   SER  38           HA       SER  38 -30.998  -1.192   6.942
  325   1HB   SER  38           HB1      SER  38 -28.023  -1.038   7.619
  326   2HB   SER  38           HB2      SER  38 -29.287  -1.229   8.847
  327    HG   SER  38           HG1      SER  38 -29.272   0.904   8.635
  328    H    PHE  39           HN       PHE  39 -30.413   0.636   5.621
  329    HA   PHE  39           HA       PHE  39 -28.819  -0.158   3.221
  330   1HB   PHE  39           HB1      PHE  39 -30.531   0.779   1.833
  331   2HB   PHE  39           HB2      PHE  39 -31.242   1.673   3.178
  332    HD1  PHE  39           HD2      PHE  39 -32.390   0.380   5.032
  333    HD2  PHE  39           HD1      PHE  39 -31.190  -1.498   1.403
  334    HE1  PHE  39           HE2      PHE  39 -33.804  -1.554   5.565
  335    HE2  PHE  39           HE1      PHE  39 -32.630  -3.419   1.929
  336    HZ   PHE  39           HZ       PHE  39 -33.934  -3.449   4.013
  337    H    LYS  40           HN       LYS  40 -28.003   1.677   1.984
  338    HA   LYS  40           HA       LYS  40 -26.968   3.737   3.813
  339   1HB   LYS  40           HB1      LYS  40 -26.434   3.033   0.895
  340   2HB   LYS  40           HB2      LYS  40 -25.428   2.627   2.263
  341   1HG   LYS  40           HG1      LYS  40 -25.964   5.425   1.200
  342   2HG   LYS  40           HG2      LYS  40 -24.452   4.540   1.097
  343   1HD   LYS  40           HD1      LYS  40 -24.713   4.390   3.718
  344   2HD   LYS  40           HD2      LYS  40 -25.728   5.803   3.494
  345   1HE   LYS  40           HE1      LYS  40 -23.463   6.577   3.868
  346   2HE   LYS  40           HE2      LYS  40 -23.850   6.849   2.173
  347   1HZ   LYS  40           HZ1      LYS  40 -21.724   5.429   3.190
  348   2HZ   LYS  40           HZ2      LYS  40 -22.207   5.529   1.566
  349   3HZ   LYS  40           HZ3      LYS  40 -22.771   4.260   2.542
  350    H    THR  41           HN       THR  41 -29.491   3.403   1.549
  351    HA   THR  41           HA       THR  41 -29.858   6.374   1.555
  352    HB   THR  41           HB       THR  41 -30.555   6.290  -0.778
  353    HG1  THR  41           HG1      THR  41 -31.644   4.555  -1.255
  354   1HG2  THR  41          HG21      THR  41 -28.482   4.036  -0.649
  355   2HG2  THR  41          HG22      THR  41 -28.009   5.702  -0.332
  356   3HG2  THR  41          HG23      THR  41 -28.657   5.256  -1.907
  357    H    LYS  42           HN       LYS  42 -32.019   7.099   1.422
  358    HA   LYS  42           HA       LYS  42 -33.822   5.516   3.002
  359   1HB   LYS  42           HB1      LYS  42 -34.582   7.970   1.378
  360   2HB   LYS  42           HB2      LYS  42 -33.609   8.117   2.838
  361   1HG   LYS  42           HG1      LYS  42 -35.355   7.082   4.175
  362   2HG   LYS  42           HG2      LYS  42 -36.298   6.711   2.736
  363   1HD   LYS  42           HD1      LYS  42 -36.900   8.946   2.394
  364   2HD   LYS  42           HD2      LYS  42 -35.508   9.561   3.277
  365   1HE   LYS  42           HE1      LYS  42 -36.476   8.796   5.396
  366   2HE   LYS  42           HE2      LYS  42 -37.831   8.071   4.542
  367   1HZ   LYS  42           HZ1      LYS  42 -38.865  10.006   4.483
  368   2HZ   LYS  42           HZ2      LYS  42 -37.516  10.795   3.818
  369   3HZ   LYS  42           HZ3      LYS  42 -37.664  10.637   5.503
  370    H    GLY  43           HN       GLY  43 -33.197   5.790  -0.337
  371   1HA   GLY  43           HA1      GLY  43 -34.280   4.885  -2.216
  372   2HA   GLY  43           HA2      GLY  43 -35.800   5.165  -1.372
  373    H    ASN  44           HN       ASN  44 -32.994   2.981  -1.296
  374    HA   ASN  44           HA       ASN  44 -34.351   0.596  -1.697
  375   1HB   ASN  44           HB1      ASN  44 -32.446  -0.409  -0.240
  376   2HB   ASN  44           HB2      ASN  44 -31.908   1.251   0.002
  377   1HD2  ASN  44          HD21      ASN  44 -32.790   2.072  -2.744
  378   2HD2  ASN  44          HD22      ASN  44 -31.642   1.412  -3.807
  379    H    LEU  45           HN       LEU  45 -34.044   2.442   1.274
  380    HA   LEU  45           HA       LEU  45 -35.020   0.454   3.059
  381   1HB   LEU  45           HB1      LEU  45 -35.255   3.513   3.098
  382   2HB   LEU  45           HB2      LEU  45 -33.998   2.561   3.858
  383    HG   LEU  45           HG       LEU  45 -35.464   3.141   5.641
  384   1HD1  LEU  45          HD11      LEU  45 -37.703   3.520   5.465
  385   2HD1  LEU  45          HD12      LEU  45 -37.995   2.036   4.573
  386   3HD1  LEU  45          HD13      LEU  45 -37.432   3.469   3.731
  387   1HD2  LEU  45          HD21      LEU  45 -36.463   0.388   4.852
  388   2HD2  LEU  45          HD22      LEU  45 -36.198   1.027   6.468
  389   3HD2  LEU  45          HD23      LEU  45 -34.826   0.675   5.424
  390    H    THR  46           HN       THR  46 -36.724   3.021   1.285
  391    HA   THR  46           HA       THR  46 -39.337   2.411   2.187
  392    HB   THR  46           HB       THR  46 -38.460   3.421  -0.590
  393    HG1  THR  46           HG1      THR  46 -38.623   4.426   1.993
  394   1HG2  THR  46          HG21      THR  46 -40.734   3.705  -0.962
  395   2HG2  THR  46          HG22      THR  46 -40.860   4.612   0.542
  396   3HG2  THR  46          HG23      THR  46 -41.071   2.864   0.548
  397    H    LYS  47           HN       LYS  47 -37.365   0.956  -0.329
  398    HA   LYS  47           HA       LYS  47 -39.419  -0.583  -1.577
  399   1HB   LYS  47           HB1      LYS  47 -37.062  -2.130  -1.682
  400   2HB   LYS  47           HB2      LYS  47 -36.478  -0.478  -1.543
  401   1HG   LYS  47           HG1      LYS  47 -38.139   0.114  -3.406
  402   2HG   LYS  47           HG2      LYS  47 -38.323  -1.620  -3.652
  403   1HD   LYS  47           HD1      LYS  47 -35.725  -0.054  -3.803
  404   2HD   LYS  47           HD2      LYS  47 -36.598  -0.745  -5.165
  405   1HE   LYS  47           HE1      LYS  47 -36.379  -2.994  -3.835
  406   2HE   LYS  47           HE2      LYS  47 -35.087  -2.162  -2.979
  407   1HZ   LYS  47           HZ1      LYS  47 -33.799  -2.038  -4.837
  408   2HZ   LYS  47           HZ2      LYS  47 -35.117  -2.094  -5.909
  409   3HZ   LYS  47           HZ3      LYS  47 -34.596  -3.509  -5.126
  410    H    HIS  48           HN       HIS  48 -37.277  -1.300   1.161
  411    HA   HIS  48           HA       HIS  48 -38.243  -3.992   1.517
  412   1HB   HIS  48           HB1      HIS  48 -36.928  -2.029   3.468
  413   2HB   HIS  48           HB2      HIS  48 -36.107  -3.269   2.527
  414    HD1  HIS  48           HD1      HIS  48 -37.537  -5.711   3.088
  415    HD2  HIS  48           HD2      HIS  48 -37.190  -2.924   6.057
  416    HE1  HIS  48           HE1      HIS  48 -37.875  -6.942   5.175
  417    H    MET  49           HN       MET  49 -39.410  -0.870   2.462
  418    HA   MET  49           HA       MET  49 -41.279  -1.987   4.443
  419   1HB   MET  49           HB1      MET  49 -42.124   0.493   4.340
  420   2HB   MET  49           HB2      MET  49 -40.722   0.785   3.316
  421   1HG   MET  49           HG1      MET  49 -40.109   1.277   5.591
  422   2HG   MET  49           HG2      MET  49 -39.266  -0.160   5.079
  423   1HE   MET  49           HE1      MET  49 -39.523  -0.486   8.843
  424   2HE   MET  49           HE2      MET  49 -38.836   0.519   7.567
  425   3HE   MET  49           HE3      MET  49 -38.597  -1.228   7.538
  426    H    LYS  50           HN       LYS  50 -41.301  -0.888   1.120
  427    HA   LYS  50           HA       LYS  50 -44.062  -0.572   0.691
  428   1HB   LYS  50           HB1      LYS  50 -41.950  -1.820  -1.139
  429   2HB   LYS  50           HB2      LYS  50 -42.358  -0.111  -1.053
  430   1HG   LYS  50           HG1      LYS  50 -44.747  -0.780  -1.670
  431   2HG   LYS  50           HG2      LYS  50 -44.109  -2.379  -2.034
  432   1HD   LYS  50           HD1      LYS  50 -43.769  -1.495  -4.115
  433   2HD   LYS  50           HD2      LYS  50 -42.324  -0.813  -3.378
  434   1HE   LYS  50           HE1      LYS  50 -43.389   1.057  -4.370
  435   2HE   LYS  50           HE2      LYS  50 -43.851   1.159  -2.676
  436   1HZ   LYS  50           HZ1      LYS  50 -45.755  -0.436  -3.796
  437   2HZ   LYS  50           HZ2      LYS  50 -45.482   0.753  -4.978
  438   3HZ   LYS  50           HZ3      LYS  50 -45.926   1.208  -3.404
  439    H    SER  51           HN       SER  51 -42.223  -3.540  -0.051
  440    HA   SER  51           HA       SER  51 -44.332  -5.253  -0.570
  441   1HB   SER  51           HB1      SER  51 -42.013  -6.104   1.228
  442   2HB   SER  51           HB2      SER  51 -41.779  -5.779  -0.500
  443    HG   SER  51           HG1      SER  51 -43.742  -7.171  -0.731
  444    H    LYS  52           HN       LYS  52 -45.282  -6.961   0.819
  445    HA   LYS  52           HA       LYS  52 -46.511  -5.726   3.144
  446   1HB   LYS  52           HB1      LYS  52 -46.730  -8.684   2.731
  447   2HB   LYS  52           HB2      LYS  52 -47.288  -7.683   1.394
  448   1HG   LYS  52           HG1      LYS  52 -48.757  -6.431   2.927
  449   2HG   LYS  52           HG2      LYS  52 -48.180  -7.393   4.283
  450   1HD   LYS  52           HD1      LYS  52 -49.046  -9.443   3.198
  451   2HD   LYS  52           HD2      LYS  52 -49.621  -8.481   1.840
  452   1HE   LYS  52           HE1      LYS  52 -50.872  -7.100   3.691
  453   2HE   LYS  52           HE2      LYS  52 -50.627  -8.535   4.678
  454   1HZ   LYS  52           HZ1      LYS  52 -51.537  -9.477   2.274
  455   2HZ   LYS  52           HZ2      LYS  52 -52.477  -8.094   2.568
  456   3HZ   LYS  52           HZ3      LYS  52 -52.428  -9.345   3.714
  457    H    ALA  53           HN       ALA  53 -43.681  -5.960   3.393
  458    HA   ALA  53           HA       ALA  53 -42.781  -8.169   4.892
  459   1HB   ALA  53           HB1      ALA  53 -42.072  -5.205   5.145
  460   2HB   ALA  53           HB2      ALA  53 -41.253  -6.388   4.130
  461   3HB   ALA  53           HB3      ALA  53 -41.140  -6.504   5.883
  462    H    HIS  54           HN       HIS  54 -42.586  -5.433   6.893
  463    HA   HIS  54           HA       HIS  54 -44.892  -6.227   8.538
  464   1HB   HIS  54           HB1      HIS  54 -43.428  -7.674   9.624
  465   2HB   HIS  54           HB2      HIS  54 -43.051  -6.207  10.516
  466    HD1  HIS  54           HD1      HIS  54 -41.379  -8.739   8.805
  467    HD2  HIS  54           HD2      HIS  54 -40.778  -4.701   9.017
  468    HE1  HIS  54           HE1      HIS  54 -39.045  -8.390   8.158
  469    H    SER  55           HN       SER  55 -45.633  -4.133   8.134
  470    HA   SER  55           HA       SER  55 -44.151  -2.002   9.635
  471   1HB   SER  55           HB1      SER  55 -45.345  -0.430   7.914
  472   2HB   SER  55           HB2      SER  55 -45.632  -1.903   6.967
  473    HG   SER  55           HG1      SER  55 -43.116  -1.742   8.029
  474    H    LYS  56           HN       LYS  56 -46.444  -3.924  10.240
  475    HA   LYS  56           HA       LYS  56 -48.161  -1.840  11.467
  476   1HB   LYS  56           HB1      LYS  56 -50.182  -3.326  10.766
  477   2HB   LYS  56           HB2      LYS  56 -49.083  -4.084   9.619
  478   1HG   LYS  56           HG1      LYS  56 -48.620  -1.898   8.588
  479   2HG   LYS  56           HG2      LYS  56 -49.662  -1.105   9.766
  480   1HD   LYS  56           HD1      LYS  56 -51.614  -2.262   8.923
  481   2HD   LYS  56           HD2      LYS  56 -50.623  -3.294   7.898
  482   1HE   LYS  56           HE1      LYS  56 -51.552  -1.546   6.501
  483   2HE   LYS  56           HE2      LYS  56 -49.836  -1.214   6.700
  484   1HZ   LYS  56           HZ1      LYS  56 -51.499  -0.030   8.727
  485   2HZ   LYS  56           HZ2      LYS  56 -51.815   0.546   7.161
  486   3HZ   LYS  56           HZ3      LYS  56 -50.248   0.657   7.806
  487    H    LYS  57           HN       LYS  57 -49.123  -5.172  11.217
  488    HA   LYS  57           HA       LYS  57 -49.435  -5.542  13.980
  489   1HB   LYS  57           HB1      LYS  57 -48.793  -7.621  11.835
  490   2HB   LYS  57           HB2      LYS  57 -50.405  -7.052  12.251
  491   1HG   LYS  57           HG1      LYS  57 -50.486  -8.715  13.784
  492   2HG   LYS  57           HG2      LYS  57 -49.282  -7.818  14.703
  493   1HD   LYS  57           HD1      LYS  57 -47.475  -8.967  13.461
  494   2HD   LYS  57           HD2      LYS  57 -48.676  -9.857  12.532
  495   1HE   LYS  57           HE1      LYS  57 -48.830  -9.966  15.524
  496   2HE   LYS  57           HE2      LYS  57 -47.588 -10.915  14.718
  497   1HZ   LYS  57           HZ1      LYS  57 -49.902 -11.331  13.285
  498   2HZ   LYS  57           HZ2      LYS  57 -50.366 -11.410  14.917
  499   3HZ   LYS  57                 LYS  57 -49.133 -12.423  14.334
   
  Start of MODEL          26
 Raw file had 499 H/Q atoms
  Start of MODEL   26
    1   1H    LYS   1           HT1      LYS   1  -8.143  -4.333  -9.216
    2   2H    LYS   1           HT2      LYS   1  -7.849  -2.702  -9.584
    3   3H    LYS   1           HT3      LYS   1  -7.354  -3.919 -10.662
    4    HA   LYS   1           HA       LYS   1  -9.322  -2.826 -11.484
    5   1HB   LYS   1           HB1      LYS   1 -10.811  -4.918 -11.557
    6   2HB   LYS   1           HB2      LYS   1  -9.686  -5.674 -10.434
    7   1HG   LYS   1           HG1      LYS   1  -8.727  -6.367 -12.422
    8   2HG   LYS   1           HG2      LYS   1  -7.902  -4.822 -12.247
    9   1HD   LYS   1           HD1      LYS   1  -9.943  -3.841 -13.539
   10   2HD   LYS   1           HD2      LYS   1 -10.254  -5.508 -14.009
   11   1HE   LYS   1           HE1      LYS   1  -8.826  -4.967 -15.728
   12   2HE   LYS   1           HE2      LYS   1  -7.605  -5.395 -14.535
   13   1HZ   LYS   1           HZ1      LYS   1  -7.567  -3.110 -15.800
   14   2HZ   LYS   1           HZ2      LYS   1  -7.042  -3.247 -14.191
   15   3HZ   LYS   1           HZ3      LYS   1  -8.595  -2.650 -14.529
   16    OH   TYR   2           OH       TYR   2  -7.761   2.727  -9.106
   17    H    TYR   2           HN       TYR   2 -11.189  -1.809 -11.046
   18    HA   TYR   2           HA       TYR   2 -12.057  -1.780  -8.212
   19   1HB   TYR   2           HB1      TYR   2 -13.343   0.213  -8.886
   20   2HB   TYR   2           HB2      TYR   2 -12.996  -0.099 -10.586
   21    HD1  TYR   2           HD2      TYR   2 -11.423   0.744  -7.330
   22    HD2  TYR   2           HD1      TYR   2 -10.920   0.594 -11.547
   23    HE1  TYR   2           HE2      TYR   2  -9.336   2.017  -7.126
   24    HE2  TYR   2           HE1      TYR   2  -8.826   1.853 -11.345
   25    HH   TYR   2           HH       TYR   2  -7.924   3.481  -8.534
   26    H    ILE   3           HN       ILE   3 -12.995  -3.926  -8.340
   27    HA   ILE   3           HA       ILE   3 -15.796  -3.769  -9.292
   28    HB   ILE   3           HB       ILE   3 -14.053  -6.223  -9.776
   29   1HG1  ILE   3          HG11      ILE   3 -13.100  -4.405 -11.090
   30   2HG1  ILE   3          HG12      ILE   3 -14.696  -3.932 -11.665
   31   1HG2  ILE   3          HG21      ILE   3 -16.560  -5.365 -11.268
   32   2HG2  ILE   3          HG22      ILE   3 -16.702  -6.172  -9.710
   33   3HG2  ILE   3          HG23      ILE   3 -15.917  -6.991 -11.056
   34   1HD1  ILE   3           HD1      ILE   3 -14.917  -5.847 -13.014
   35   2HD1  ILE   3           HD2      ILE   3 -13.710  -6.747 -12.099
   36   3HD1  ILE   3           HD3      ILE   3 -13.208  -5.460 -13.190
   37    H    CYS   4           HN       CYS   4 -16.843  -3.969  -7.366
   38    HA   CYS   4           HA       CYS   4 -15.775  -5.353  -5.132
   39   1HB   CYS   4           HB1      CYS   4 -18.651  -4.748  -5.868
   40   2HB   CYS   4           HB2      CYS   4 -17.621  -3.787  -4.848
   41    H    GLU   5           HN       GLU   5 -15.162  -7.376  -5.284
   42    HA   GLU   5           HA       GLU   5 -16.189  -9.369  -6.959
   43   1HB   GLU   5           HB1      GLU   5 -15.257 -10.939  -5.063
   44   2HB   GLU   5           HB2      GLU   5 -14.765  -9.442  -4.280
   45   1HG   GLU   5           HG1      GLU   5 -13.422  -8.810  -6.216
   46   2HG   GLU   5           HG2      GLU   5 -14.012 -10.198  -7.126
   47    H    GLU   6           HN       GLU   6 -17.542  -8.107  -4.039
   48    HA   GLU   6           HA       GLU   6 -19.210 -10.424  -3.547
   49   1HB   GLU   6           HB1      GLU   6 -19.776  -7.672  -2.443
   50   2HB   GLU   6           HB2      GLU   6 -18.353  -8.539  -1.884
   51   1HG   GLU   6           HG1      GLU   6 -19.795 -10.477  -1.276
   52   2HG   GLU   6           HG2      GLU   6 -21.213  -9.562  -1.786
   53    H    CYS   7           HN       CYS   7 -20.070  -7.036  -4.271
   54    HA   CYS   7           HA       CYS   7 -22.675  -7.913  -5.293
   55   1HB   CYS   7           HB1      CYS   7 -23.094  -5.565  -5.658
   56   2HB   CYS   7           HB2      CYS   7 -21.398  -5.185  -5.638
   57    H    GLY   8           HN       GLY   8 -19.848  -6.272  -6.652
   58   1HA   GLY   8           HA1      GLY   8 -20.583  -7.383  -9.329
   59   2HA   GLY   8           HA2      GLY   8 -18.928  -7.088  -8.809
   60    H    ILE   9           HN       ILE   9 -20.185  -4.565  -7.470
   61    HA   ILE   9           HA       ILE   9 -21.106  -2.851  -9.510
   62    HB   ILE   9           HB       ILE   9 -21.005  -2.483  -6.925
   63   1HG1  ILE   9          HG11      ILE   9 -20.645  -0.494  -9.113
   64   2HG1  ILE   9          HG12      ILE   9 -20.453   0.097  -7.467
   65   1HG2  ILE   9          HG21      ILE   9 -18.372  -1.115  -7.657
   66   2HG2  ILE   9          HG22      ILE   9 -18.400  -2.748  -7.003
   67   3HG2  ILE   9          HG23      ILE   9 -19.026  -1.413  -6.056
   68   1HD1  ILE   9           HD1      ILE   9 -22.820   0.247  -8.256
   69   2HD1  ILE   9           HD2      ILE   9 -22.650  -0.803  -6.852
   70   3HD1  ILE   9           HD3      ILE   9 -22.837  -1.503  -8.457
   71    NH1  ARG  10           NH1      ARG  10 -14.254  -3.149 -16.028
   72    NH2  ARG  10           NH2      ARG  10 -15.374  -3.413 -18.004
   73    H    ARG  10           HN       ARG  10 -20.139  -1.954 -11.196
   74    HA   ARG  10           HA       ARG  10 -17.181  -2.186 -11.397
   75   1HB   ARG  10           HB1      ARG  10 -19.298  -1.547 -13.505
   76   2HB   ARG  10           HB2      ARG  10 -18.613  -3.140 -13.217
   77   1HG   ARG  10           HG1      ARG  10 -16.333  -1.654 -13.508
   78   2HG   ARG  10           HG2      ARG  10 -17.425  -0.789 -14.582
   79   1HD   ARG  10           HD1      ARG  10 -18.042  -3.165 -15.485
   80   2HD   ARG  10           HD2      ARG  10 -16.532  -3.667 -14.724
   81    HE   ARG  10           HE       ARG  10 -16.560  -1.419 -16.693
   82   1HH1  ARG  10          HH11      ARG  10 -14.234  -2.783 -15.098
   83   2HH1  ARG  10          HH12      ARG  10 -13.473  -3.665 -16.380
   84   1HH2  ARG  10          HH21      ARG  10 -16.192  -3.242 -18.554
   85   2HH2  ARG  10          HH22      ARG  10 -14.611  -3.932 -18.389
   86    H    ABA  11           HN       ABU  11 -16.224  -0.423 -10.573
   87    HA   ABA  11           HA       ABU  11 -17.101   2.230 -11.639
   88   1HB   ABA  11           HB1      ABU  11 -16.693   3.217  -9.445
   89   2HB   ABA  11           HB2      ABU  11 -16.043   1.714  -8.831
   90   1HG   ABA  11           HG1      ABU  11 -18.324   1.950  -8.014
   91   2HG   ABA  11           HG2      ABU  11 -18.295   0.652  -9.201
   92   3HG   ABA  11           HG3      ABU  11 -18.916   2.237  -9.646
   93    H    LYS  12           HN       LYS  12 -15.425   2.114 -13.165
   94    HA   LYS  12           HA       LYS  12 -12.753   1.456 -12.740
   95   1HB   LYS  12           HB1      LYS  12 -12.278   2.928 -14.681
   96   2HB   LYS  12           HB2      LYS  12 -13.828   3.733 -14.467
   97   1HG   LYS  12           HG1      LYS  12 -14.973   1.537 -14.824
   98   2HG   LYS  12           HG2      LYS  12 -13.405   0.800 -15.135
   99   1HD   LYS  12           HD1      LYS  12 -13.991   1.328 -17.309
  100   2HD   LYS  12           HD2      LYS  12 -13.216   2.843 -16.861
  101   1HE   LYS  12           HE1      LYS  12 -15.469   3.709 -16.145
  102   2HE   LYS  12           HE2      LYS  12 -16.189   2.234 -16.776
  103   1HZ   LYS  12           HZ1      LYS  12 -15.827   4.470 -18.193
  104   2HZ   LYS  12           HZ2      LYS  12 -15.963   2.919 -18.873
  105   3HZ   LYS  12           HZ3      LYS  12 -14.430   3.600 -18.612
  106    H    LYS  13           HN       LYS  13 -14.440   4.000 -11.274
  107    HA   LYS  13           HA       LYS  13 -11.963   5.567 -10.851
  108   1HB   LYS  13           HB1      LYS  13 -13.573   7.249  -9.840
  109   2HB   LYS  13           HB2      LYS  13 -14.885   6.139 -10.219
  110   1HG   LYS  13           HG1      LYS  13 -14.919   7.419 -12.147
  111   2HG   LYS  13           HG2      LYS  13 -13.741   6.205 -12.638
  112   1HD   LYS  13           HD1      LYS  13 -11.921   7.721 -11.777
  113   2HD   LYS  13           HD2      LYS  13 -13.145   8.951 -11.488
  114   1HE   LYS  13           HE1      LYS  13 -12.486   7.682 -14.166
  115   2HE   LYS  13           HE2      LYS  13 -12.086   9.323 -13.673
  116   1HZ   LYS  13           HZ1      LYS  13 -14.369   9.894 -13.586
  117   2HZ   LYS  13           HZ2      LYS  13 -14.857   8.282 -13.810
  118   3HZ   LYS  13           HZ3      LYS  13 -14.101   9.124 -15.076
  119    HA   PRO  14           HA       PRO  14 -11.497   3.779  -6.771
  120   1HB   PRO  14           HB1      PRO  14  -9.423   4.663  -6.286
  121   2HB   PRO  14           HB2      PRO  14 -10.232   6.075  -5.605
  122   1HG   PRO  14           HG1      PRO  14  -8.633   6.030  -7.954
  123   2HG   PRO  14           HG2      PRO  14  -9.660   7.362  -7.421
  124   1HD   PRO  14           HD1      PRO  14 -10.977   6.972  -9.256
  125   2HD   PRO  14           HD2      PRO  14 -10.079   5.486  -9.623
  126    H    SER  15           HN       SER  15 -11.833   7.291  -6.275
  127    HA   SER  15           HA       SER  15 -13.170   7.468  -3.932
  128   1HB   SER  15           HB1      SER  15 -12.762   9.413  -5.505
  129   2HB   SER  15           HB2      SER  15 -14.423   9.438  -4.880
  130    HG   SER  15           HG1      SER  15 -14.830   7.996  -6.793
  131    H    MET  16           HN       MET  16 -14.655   6.310  -6.919
  132    HA   MET  16           HA       MET  16 -17.308   6.141  -5.735
  133   1HB   MET  16           HB1      MET  16 -17.639   4.603  -7.835
  134   2HB   MET  16           HB2      MET  16 -16.005   5.095  -8.270
  135   1HG   MET  16           HG1      MET  16 -17.599   6.583  -9.329
  136   2HG   MET  16           HG2      MET  16 -16.673   7.451  -8.137
  137   1HE   MET  16           HE1      MET  16 -19.979   6.839  -9.655
  138   2HE   MET  16           HE2      MET  16 -19.171   8.406  -9.673
  139   3HE   MET  16           HE3      MET  16 -20.736   8.230  -8.882
  140    H    LEU  17           HN       LEU  17 -15.043   3.598  -6.862
  141    HA   LEU  17           HA       LEU  17 -16.403   1.461  -5.597
  142   1HB   LEU  17           HB1      LEU  17 -13.378   1.615  -5.817
  143   2HB   LEU  17           HB2      LEU  17 -14.353   1.493  -7.259
  144    HG   LEU  17           HG       LEU  17 -13.548  -0.736  -6.459
  145   1HD1  LEU  17          HD11      LEU  17 -15.423  -0.415  -4.112
  146   2HD1  LEU  17          HD12      LEU  17 -13.716  -0.022  -3.998
  147   3HD1  LEU  17          HD13      LEU  17 -14.218  -1.661  -4.387
  148   1HD2  LEU  17          HD21      LEU  17 -15.501  -1.847  -7.024
  149   2HD2  LEU  17          HD22      LEU  17 -15.921  -0.231  -7.564
  150   3HD2  LEU  17          HD23      LEU  17 -16.521  -0.822  -6.026
  151    H    LYS  18           HN       LYS  18 -13.600   3.320  -4.550
  152    HA   LYS  18           HA       LYS  18 -13.025   2.372  -2.078
  153   1HB   LYS  18           HB1      LYS  18 -13.516   5.348  -2.576
  154   2HB   LYS  18           HB2      LYS  18 -12.144   4.494  -3.261
  155   1HG   LYS  18           HG1      LYS  18 -11.361   5.494  -1.223
  156   2HG   LYS  18           HG2      LYS  18 -11.525   3.774  -0.909
  157   1HD   LYS  18           HD1      LYS  18 -13.329   4.065   0.515
  158   2HD   LYS  18           HD2      LYS  18 -13.908   5.494  -0.331
  159   1HE   LYS  18           HE1      LYS  18 -12.877   5.894   1.978
  160   2HE   LYS  18           HE2      LYS  18 -12.254   6.887   0.668
  161   1HZ   LYS  18           HZ1      LYS  18 -10.933   4.873   2.236
  162   2HZ   LYS  18           HZ2      LYS  18 -10.281   6.171   1.354
  163   3HZ   LYS  18           HZ3      LYS  18 -10.665   4.717   0.565
  164    H    LYS  19           HN       LYS  19 -15.596   4.794  -2.628
  165    HA   LYS  19           HA       LYS  19 -16.571   4.654   0.046
  166   1HB   LYS  19           HB1      LYS  19 -18.066   5.423  -2.503
  167   2HB   LYS  19           HB2      LYS  19 -17.060   6.525  -1.568
  168   1HG   LYS  19           HG1      LYS  19 -18.558   5.855   0.445
  169   2HG   LYS  19           HG2      LYS  19 -19.668   5.228  -0.768
  170   1HD   LYS  19           HD1      LYS  19 -20.456   7.397  -0.654
  171   2HD   LYS  19           HD2      LYS  19 -19.206   7.627  -1.872
  172   1HE   LYS  19           HE1      LYS  19 -18.986   9.343  -0.134
  173   2HE   LYS  19           HE2      LYS  19 -17.603   8.257  -0.071
  174   1HZ   LYS  19           HZ1      LYS  19 -18.435   7.190   1.808
  175   2HZ   LYS  19           HZ2      LYS  19 -19.994   7.835   1.610
  176   3HZ   LYS  19           HZ3      LYS  19 -18.717   8.840   2.104
  177    H    HIS  20           HN       HIS  20 -17.458   2.953  -2.915
  178    HA   HIS  20           HA       HIS  20 -19.811   1.695  -1.961
  179   1HB   HIS  20           HB1      HIS  20 -17.715   0.664  -3.911
  180   2HB   HIS  20           HB2      HIS  20 -19.155   1.573  -4.345
  181    HD1  HIS  20           HD1      HIS  20 -21.115   0.073  -4.773
  182    HD2  HIS  20           HD2      HIS  20 -18.257  -1.882  -2.631
  183    HE1  HIS  20           HE1      HIS  20 -21.928  -2.225  -4.547
  184    H    ILE  21           HN       ILE  21 -16.430   0.545  -1.887
  185    HA   ILE  21           HA       ILE  21 -17.047  -1.922  -0.623
  186    HB   ILE  21           HB       ILE  21 -14.737  -0.899  -1.623
  187   1HG1  ILE  21          HG11      ILE  21 -14.969  -2.940   0.622
  188   2HG1  ILE  21          HG12      ILE  21 -13.528  -2.723  -0.360
  189   1HG2  ILE  21          HG21      ILE  21 -14.641   0.658   0.479
  190   2HG2  ILE  21          HG22      ILE  21 -13.186  -0.231   0.101
  191   3HG2  ILE  21          HG23      ILE  21 -14.246  -0.783   1.391
  192   1HD1  ILE  21           HD1      ILE  21 -15.623  -2.936  -2.225
  193   2HD1  ILE  21           HD2      ILE  21 -15.990  -4.144  -1.000
  194   3HD1  ILE  21           HD3      ILE  21 -14.441  -4.179  -1.836
  195    NH1  ARG  22           NH1      ARG  22 -17.337   5.024   5.270
  196    NH2  ARG  22           NH2      ARG  22 -15.499   6.378   5.361
  197    H    ARG  22           HN       ARG  22 -16.637   1.308   0.667
  198    HA   ARG  22           HA       ARG  22 -16.502   0.437   3.444
  199   1HB   ARG  22           HB1      ARG  22 -17.110   2.913   3.847
  200   2HB   ARG  22           HB2      ARG  22 -17.169   3.099   2.099
  201   1HG   ARG  22           HG1      ARG  22 -14.848   2.585   1.864
  202   2HG   ARG  22           HG2      ARG  22 -14.743   1.946   3.498
  203   1HD   ARG  22           HD1      ARG  22 -15.315   4.845   2.797
  204   2HD   ARG  22           HD2      ARG  22 -13.765   4.221   3.359
  205    HE   ARG  22           HE       ARG  22 -15.030   3.541   5.476
  206   1HH1  ARG  22          HH11      ARG  22 -17.726   4.118   5.100
  207   2HH1  ARG  22          HH12      ARG  22 -17.934   5.783   5.531
  208   1HH2  ARG  22          HH21      ARG  22 -14.511   6.487   5.259
  209   2HH2  ARG  22          HH22      ARG  22 -16.064   7.160   5.622
  210    H    THR  23           HN       THR  23 -19.062   0.853   1.174
  211    HA   THR  23           HA       THR  23 -21.142   1.375   3.096
  212    HB   THR  23           HB       THR  23 -21.353  -0.034   0.360
  213    HG1  THR  23           HG1      THR  23 -21.596   2.078  -0.343
  214   1HG2  THR  23          HG21      THR  23 -23.316   1.163   2.344
  215   2HG2  THR  23          HG22      THR  23 -23.579  -0.147   1.200
  216   3HG2  THR  23          HG23      THR  23 -23.588   1.522   0.642
  217    H    HIS  24           HN       HIS  24 -19.388  -1.484   2.282
  218    HA   HIS  24           HA       HIS  24 -21.464  -3.329   3.218
  219   1HB   HIS  24           HB1      HIS  24 -19.394  -4.939   3.246
  220   2HB   HIS  24           HB2      HIS  24 -18.503  -3.594   2.540
  221    HD1  HIS  24           HD1      HIS  24 -21.597  -5.565   1.755
  222    HD2  HIS  24           HD2      HIS  24 -18.744  -3.390  -0.180
  223    HE1  HIS  24           HE1      HIS  24 -22.070  -5.840  -0.650
  224    H    THR  25           HN       THR  25 -20.130  -1.063   4.889
  225    HA   THR  25           HA       THR  25 -19.195  -2.701   7.179
  226    HB   THR  25           HB       THR  25 -18.575  -0.374   8.073
  227    HG1  THR  25           HG1      THR  25 -18.827   1.115   6.105
  228   1HG2  THR  25          HG21      THR  25 -16.995   0.249   6.148
  229   2HG2  THR  25          HG22      THR  25 -17.756  -1.022   5.197
  230   3HG2  THR  25          HG23      THR  25 -16.841  -1.433   6.644
  231    H    ASP  26           HN       ASP  26 -20.437   0.303   7.976
  232    HA   ASP  26           HA       ASP  26 -23.159  -0.620   8.537
  233   1HB   ASP  26           HB1      ASP  26 -22.791   0.037  11.035
  234   2HB   ASP  26           HB2      ASP  26 -21.066  -0.083  10.692
  235    H    VAL  27           HN       VAL  27 -21.809   1.395   7.013
  236    HA   VAL  27           HA       VAL  27 -22.561   3.899   8.419
  237    HB   VAL  27           HB       VAL  27 -20.344   3.801   7.340
  238   1HG1  VAL  27          HG11      VAL  27 -21.840   3.302   4.749
  239   2HG1  VAL  27          HG12      VAL  27 -20.959   2.079   5.641
  240   3HG1  VAL  27          HG13      VAL  27 -20.097   3.436   4.939
  241   1HG2  VAL  27          HG21      VAL  27 -22.260   5.795   6.923
  242   2HG2  VAL  27          HG22      VAL  27 -21.559   5.540   5.329
  243   3HG2  VAL  27          HG23      VAL  27 -20.523   5.965   6.687
  244    NH1  ARG  28           NH1      ARG  28 -25.625  -2.855   3.804
  245    NH2  ARG  28           NH2      ARG  28 -24.283  -3.149   5.629
  246    H    ARG  28           HN       ARG  28 -24.717   2.379   7.761
  247    HA   ARG  28           HA       ARG  28 -25.913   3.759   5.394
  248   1HB   ARG  28           HB1      ARG  28 -27.559   1.763   5.567
  249   2HB   ARG  28           HB2      ARG  28 -26.412   1.063   6.702
  250   1HG   ARG  28           HG1      ARG  28 -24.628   1.327   4.939
  251   2HG   ARG  28           HG2      ARG  28 -25.887   1.806   3.811
  252   1HD   ARG  28           HD1      ARG  28 -26.090  -0.419   3.375
  253   2HD   ARG  28           HD2      ARG  28 -26.930  -0.503   4.922
  254    HE   ARG  28           HE       ARG  28 -24.165  -0.677   5.482
  255   1HH1  ARG  28          HH11      ARG  28 -26.115  -2.234   3.192
  256   2HH1  ARG  28          HH12      ARG  28 -25.662  -3.842   3.647
  257   1HH2  ARG  28          HH21      ARG  28 -23.767  -2.746   6.386
  258   2HH2  ARG  28          HH22      ARG  28 -24.296  -4.141   5.505
  259    HA   PRO  29           HA       PRO  29 -28.065   5.398   9.172
  260   1HB   PRO  29           HB1      PRO  29 -27.589   7.638   9.040
  261   2HB   PRO  29           HB2      PRO  29 -28.664   7.799   7.651
  262   1HG   PRO  29           HG1      PRO  29 -25.754   7.784   7.672
  263   2HG   PRO  29           HG2      PRO  29 -26.829   8.051   6.299
  264   1HD   PRO  29           HD1      PRO  29 -26.436   5.948   5.526
  265   2HD   PRO  29           HD2      PRO  29 -25.243   5.730   6.815
  266    OH   TYR  30           OH       TYR  30 -30.164  10.400   2.785
  267    H    TYR  30           HN       TYR  30 -29.027   5.051   5.849
  268    HA   TYR  30           HA       TYR  30 -31.836   5.704   6.390
  269   1HB   TYR  30           HB1      TYR  30 -32.146   4.743   4.036
  270   2HB   TYR  30           HB2      TYR  30 -30.426   4.398   4.013
  271    HD1  TYR  30           HD1      TYR  30 -32.788   7.225   4.661
  272    HD2  TYR  30           HD2      TYR  30 -28.960   6.058   3.217
  273    HE1  TYR  30           HE1      TYR  30 -32.353   9.530   3.949
  274    HE2  TYR  30           HE2      TYR  30 -28.522   8.365   2.515
  275    HH   TYR  30           HH       TYR  30 -30.454  10.489   1.874
  276    H    HIS  31           HN       HIS  31 -32.492   4.303   8.034
  277    HA   HIS  31           HA       HIS  31 -32.359   1.374   7.447
  278   1HB   HIS  31           HB1      HIS  31 -32.894   1.084   9.837
  279   2HB   HIS  31           HB2      HIS  31 -33.215   2.806  10.010
  280    HD1  HIS  31           HD1      HIS  31 -30.395   0.508   9.488
  281    HD2  HIS  31           HD2      HIS  31 -30.978   4.422  10.373
  282    HE1  HIS  31           HE1      HIS  31 -28.195   1.347  10.074
  283    H    CYS  32           HN       CYS  32 -34.189   0.146   7.177
  284    HA   CYS  32           HA       CYS  32 -36.605   1.470   6.387
  285   1HB   CYS  32           HB1      CYS  32 -35.845  -1.392   7.038
  286   2HB   CYS  32           HB2      CYS  32 -36.248  -0.709   5.486
  287    H    THR  33           HN       THR  33 -38.665   1.448   7.427
  288    HA   THR  33           HA       THR  33 -38.423   1.799  10.328
  289    HB   THR  33           HB       THR  33 -41.018   1.903   8.697
  290    HG1  THR  33           HG1      THR  33 -39.858   3.308   7.600
  291   1HG2  THR  33          HG21      THR  33 -40.223   3.973  10.706
  292   2HG2  THR  33          HG22      THR  33 -40.499   2.378  11.397
  293   3HG2  THR  33          HG23      THR  33 -41.784   3.186  10.505
  294    OH   TYR  34           OH       TYR  34 -44.899   0.867   8.221
  295    H    TYR  34           HN       TYR  34 -38.384  -0.896   8.786
  296    HA   TYR  34           HA       TYR  34 -40.065  -2.292  10.798
  297   1HB   TYR  34           HB1      TYR  34 -40.995  -3.784   9.036
  298   2HB   TYR  34           HB2      TYR  34 -40.096  -2.912   7.801
  299    HD1  TYR  34           HD2      TYR  34 -40.702  -0.539   7.278
  300    HD2  TYR  34           HD1      TYR  34 -43.038  -2.879   9.951
  301    HE1  TYR  34           HE2      TYR  34 -42.559   1.042   7.038
  302    HE2  TYR  34           HE1      TYR  34 -44.897  -1.297   9.706
  303    HH   TYR  34           HH       TYR  34 -44.537   1.756   8.224
  304    H    CYS  35           HN       CYS  35 -38.060  -3.029   7.959
  305    HA   CYS  35           HA       CYS  35 -36.916  -5.379   9.214
  306   1HB   CYS  35           HB1      CYS  35 -35.591  -5.533   7.198
  307   2HB   CYS  35           HB2      CYS  35 -35.801  -3.842   6.849
  308    H    ASN  36           HN       ASN  36 -34.501  -5.631   9.263
  309    HA   ASN  36           HA       ASN  36 -33.373  -3.325  10.760
  310   1HB   ASN  36           HB1      ASN  36 -32.134  -6.096  10.468
  311   2HB   ASN  36           HB2      ASN  36 -33.422  -5.800  11.632
  312   1HD2  ASN  36          HD21      ASN  36 -32.106  -5.987  13.528
  313   2HD2  ASN  36          HD22      ASN  36 -30.870  -4.885  13.899
  314    H    PHE  37           HN       PHE  37 -33.564  -4.043   7.710
  315    HA   PHE  37           HA       PHE  37 -30.723  -3.998   6.960
  316   1HB   PHE  37           HB1      PHE  37 -32.971  -3.459   5.016
  317   2HB   PHE  37           HB2      PHE  37 -32.845  -5.073   5.714
  318    HD1  PHE  37           HD2      PHE  37 -30.623  -6.312   5.496
  319    HD2  PHE  37           HD1      PHE  37 -31.474  -2.765   3.307
  320    HE1  PHE  37           HE2      PHE  37 -28.818  -6.850   3.918
  321    HE2  PHE  37           HE1      PHE  37 -29.668  -3.302   1.732
  322    HZ   PHE  37           HZ       PHE  37 -28.339  -5.345   2.038
  323    H    SER  38           HN       SER  38 -29.835  -2.303   5.618
  324    HA   SER  38           HA       SER  38 -31.283   0.265   5.695
  325   1HB   SER  38           HB1      SER  38 -28.458   0.002   6.818
  326   2HB   SER  38           HB2      SER  38 -29.900   0.005   7.842
  327    HG   SER  38           HG1      SER  38 -29.558   1.945   5.835
  328    H    PHE  39           HN       PHE  39 -30.077   1.969   4.515
  329    HA   PHE  39           HA       PHE  39 -28.275   0.821   2.431
  330   1HB   PHE  39           HB1      PHE  39 -29.584   1.866   0.715
  331   2HB   PHE  39           HB2      PHE  39 -30.426   2.887   1.878
  332    HD1  PHE  39           HD2      PHE  39 -31.999   1.798   3.536
  333    HD2  PHE  39           HD1      PHE  39 -30.410  -0.347   0.225
  334    HE1  PHE  39           HE2      PHE  39 -33.760   0.110   3.790
  335    HE2  PHE  39           HE1      PHE  39 -32.176  -2.038   0.481
  336    HZ   PHE  39           HZ       PHE  39 -33.850  -1.810   2.266
  337    H    LYS  40           HN       LYS  40 -27.030   2.463   1.288
  338    HA   LYS  40           HA       LYS  40 -26.124   4.547   3.159
  339   1HB   LYS  40           HB1      LYS  40 -25.126   3.509   0.463
  340   2HB   LYS  40           HB2      LYS  40 -24.434   3.184   2.036
  341   1HG   LYS  40           HG1      LYS  40 -24.475   5.882   0.636
  342   2HG   LYS  40           HG2      LYS  40 -23.072   4.858   0.882
  343   1HD   LYS  40           HD1      LYS  40 -23.846   5.022   3.428
  344   2HD   LYS  40           HD2      LYS  40 -24.550   6.529   2.866
  345   1HE   LYS  40           HE1      LYS  40 -22.300   7.009   3.614
  346   2HE   LYS  40           HE2      LYS  40 -22.311   7.109   1.858
  347   1HZ   LYS  40           HZ1      LYS  40 -21.438   4.866   1.756
  348   2HZ   LYS  40           HZ2      LYS  40 -21.430   4.768   3.451
  349   3HZ   LYS  40           HZ3      LYS  40 -20.412   5.872   2.659
  350    H    THR  41           HN       THR  41 -28.219   4.282   0.497
  351    HA   THR  41           HA       THR  41 -28.207   7.262   0.207
  352    HB   THR  41           HB       THR  41 -28.464   7.039  -2.193
  353    HG1  THR  41           HG1      THR  41 -29.631   4.764  -1.293
  354   1HG2  THR  41          HG21      THR  41 -26.168   6.098  -1.239
  355   2HG2  THR  41          HG22      THR  41 -26.601   5.626  -2.879
  356   3HG2  THR  41          HG23      THR  41 -26.862   4.508  -1.544
  357    H    LYS  42           HN       LYS  42 -30.193   8.209  -0.383
  358    HA   LYS  42           HA       LYS  42 -32.439   6.993   0.942
  359   1HB   LYS  42           HB1      LYS  42 -32.125   9.503  -0.762
  360   2HB   LYS  42           HB2      LYS  42 -32.187   9.424   0.995
  361   1HG   LYS  42           HG1      LYS  42 -34.524   8.360   0.683
  362   2HG   LYS  42           HG2      LYS  42 -34.426   8.935  -0.979
  363   1HD   LYS  42           HD1      LYS  42 -33.822  11.233   0.061
  364   2HD   LYS  42           HD2      LYS  42 -34.433  10.560   1.569
  365   1HE   LYS  42           HE1      LYS  42 -36.584  10.029   0.437
  366   2HE   LYS  42           HE2      LYS  42 -35.971  10.753  -1.044
  367   1HZ   LYS  42           HZ1      LYS  42 -36.275  12.811  -0.269
  368   2HZ   LYS  42           HZ2      LYS  42 -35.774  12.423   1.307
  369   3HZ   LYS  42           HZ3      LYS  42 -37.360  12.073   0.810
  370    H    GLY  43           HN       GLY  43 -31.228   7.007  -2.263
  371   1HA   GLY  43           HA1      GLY  43 -32.055   6.019  -4.227
  372   2HA   GLY  43           HA2      GLY  43 -33.626   6.662  -3.753
  373    H    ASN  44           HN       ASN  44 -31.395   4.096  -2.690
  374    HA   ASN  44           HA       ASN  44 -33.031   1.916  -3.278
  375   1HB   ASN  44           HB1      ASN  44 -31.773   0.841  -1.259
  376   2HB   ASN  44           HB2      ASN  44 -30.985   2.402  -1.081
  377   1HD2  ASN  44          HD21      ASN  44 -28.916   2.078  -1.920
  378   2HD2  ASN  44          HD22      ASN  44 -28.589   1.414  -3.448
  379    H    LEU  45           HN       LEU  45 -33.123   4.055  -0.492
  380    HA   LEU  45           HA       LEU  45 -34.844   2.522   1.159
  381   1HB   LEU  45           HB1      LEU  45 -35.031   5.547   0.864
  382   2HB   LEU  45           HB2      LEU  45 -33.601   4.816   1.572
  383    HG   LEU  45           HG       LEU  45 -35.240   5.505   3.309
  384   1HD1  LEU  45          HD11      LEU  45 -37.244   5.018   1.747
  385   2HD1  LEU  45          HD12      LEU  45 -37.436   4.637   3.452
  386   3HD1  LEU  45          HD13      LEU  45 -37.114   3.355   2.295
  387   1HD2  LEU  45          HD21      LEU  45 -34.821   3.676   4.639
  388   2HD2  LEU  45          HD22      LEU  45 -33.783   3.250   3.291
  389   3HD2  LEU  45          HD23      LEU  45 -35.370   2.519   3.434
  390    H    THR  46           HN       THR  46 -35.705   5.171  -1.058
  391    HA   THR  46           HA       THR  46 -38.495   4.891  -0.893
  392    HB   THR  46           HB       THR  46 -36.760   5.649  -3.324
  393    HG1  THR  46           HG1      THR  46 -37.681   7.735  -2.337
  394   1HG2  THR  46          HG21      THR  46 -39.191   7.128  -3.206
  395   2HG2  THR  46          HG22      THR  46 -39.684   5.462  -2.914
  396   3HG2  THR  46          HG23      THR  46 -38.818   5.879  -4.390
  397    H    LYS  47           HN       LYS  47 -36.147   3.052  -2.743
  398    HA   LYS  47           HA       LYS  47 -38.117   1.663  -4.348
  399   1HB   LYS  47           HB1      LYS  47 -35.233   0.996  -3.593
  400   2HB   LYS  47           HB2      LYS  47 -35.774   1.772  -5.077
  401   1HG   LYS  47           HG1      LYS  47 -37.226  -0.377  -5.389
  402   2HG   LYS  47           HG2      LYS  47 -36.136  -1.093  -4.208
  403   1HD   LYS  47           HD1      LYS  47 -34.219  -0.215  -5.689
  404   2HD   LYS  47           HD2      LYS  47 -35.448   0.062  -6.919
  405   1HE   LYS  47           HE1      LYS  47 -36.119  -2.327  -6.765
  406   2HE   LYS  47           HE2      LYS  47 -34.854  -2.594  -5.572
  407   1HZ   LYS  47           HZ1      LYS  47 -33.656  -3.131  -7.362
  408   2HZ   LYS  47           HZ2      LYS  47 -33.473  -1.453  -7.545
  409   3HZ   LYS  47           HZ3      LYS  47 -34.656  -2.281  -8.438
  410    H    HIS  48           HN       HIS  48 -36.451   0.904  -1.307
  411    HA   HIS  48           HA       HIS  48 -37.634  -1.742  -1.128
  412   1HB   HIS  48           HB1      HIS  48 -36.318   0.067   0.961
  413   2HB   HIS  48           HB2      HIS  48 -35.555  -1.261   0.090
  414    HD1  HIS  48           HD1      HIS  48 -36.733  -3.632   0.643
  415    HD2  HIS  48           HD2      HIS  48 -37.534  -0.667   3.341
  416    HE1  HIS  48           HE1      HIS  48 -37.589  -4.775   2.630
  417    H    MET  49           HN       MET  49 -38.795   1.401  -0.531
  418    HA   MET  49           HA       MET  49 -40.881   0.403   1.343
  419   1HB   MET  49           HB1      MET  49 -41.474   2.961   1.288
  420   2HB   MET  49           HB2      MET  49 -39.932   3.154   0.461
  421   1HG   MET  49           HG1      MET  49 -39.419   3.443   2.741
  422   2HG   MET  49           HG2      MET  49 -38.894   1.826   2.356
  423   1HE   MET  49           HE1      MET  49 -38.476   1.189   4.565
  424   2HE   MET  49           HE2      MET  49 -39.606   1.097   5.914
  425   3HE   MET  49           HE3      MET  49 -39.004   2.664   5.375
  426    H    LYS  50           HN       LYS  50 -40.515   1.901  -1.840
  427    HA   LYS  50           HA       LYS  50 -43.242   2.309  -2.442
  428   1HB   LYS  50           HB1      LYS  50 -41.196   1.258  -4.443
  429   2HB   LYS  50           HB2      LYS  50 -41.142   2.912  -3.845
  430   1HG   LYS  50           HG1      LYS  50 -43.225   3.461  -4.813
  431   2HG   LYS  50           HG2      LYS  50 -43.695   1.773  -4.979
  432   1HD   LYS  50           HD1      LYS  50 -41.208   2.548  -6.401
  433   2HD   LYS  50           HD2      LYS  50 -42.690   3.257  -7.030
  434   1HE   LYS  50           HE1      LYS  50 -42.115   1.028  -8.061
  435   2HE   LYS  50           HE2      LYS  50 -43.699   1.069  -7.300
  436   1HZ   LYS  50           HZ1      LYS  50 -42.290  -0.915  -6.790
  437   2HZ   LYS  50           HZ2      LYS  50 -42.898  -0.088  -5.436
  438   3HZ   LYS  50           HZ3      LYS  50 -41.276   0.113  -5.899
  439    H    SER  51           HN       SER  51 -41.253  -0.572  -3.113
  440    HA   SER  51           HA       SER  51 -43.108  -2.201  -4.359
  441   1HB   SER  51           HB1      SER  51 -41.451  -3.297  -2.045
  442   2HB   SER  51           HB2      SER  51 -40.663  -2.744  -3.536
  443    HG   SER  51           HG1      SER  51 -42.720  -4.067  -4.354
  444    H    LYS  52           HN       LYS  52 -44.408  -4.007  -3.454
  445    HA   LYS  52           HA       LYS  52 -46.285  -2.949  -1.512
  446   1HB   LYS  52           HB1      LYS  52 -47.239  -4.381  -3.171
  447   2HB   LYS  52           HB2      LYS  52 -47.198  -5.403  -1.739
  448   1HG   LYS  52           HG1      LYS  52 -44.819  -6.085  -2.609
  449   2HG   LYS  52           HG2      LYS  52 -45.394  -5.460  -4.150
  450   1HD   LYS  52           HD1      LYS  52 -47.407  -6.951  -3.939
  451   2HD   LYS  52           HD2      LYS  52 -46.694  -7.641  -2.486
  452   1HE   LYS  52           HE1      LYS  52 -45.249  -7.581  -5.148
  453   2HE   LYS  52           HE2      LYS  52 -46.254  -8.932  -4.645
  454   1HZ   LYS  52           HZ1      LYS  52 -43.646  -8.109  -3.692
  455   2HZ   LYS  52           HZ2      LYS  52 -44.336  -9.658  -3.783
  456   3HZ   LYS  52           HZ3      LYS  52 -44.731  -8.627  -2.493
  457    H    ALA  53           HN       ALA  53 -43.419  -3.587  -0.719
  458    HA   ALA  53           HA       ALA  53 -43.294  -5.800   1.013
  459   1HB   ALA  53           HB1      ALA  53 -41.315  -4.419   0.531
  460   2HB   ALA  53           HB2      ALA  53 -41.586  -4.393   2.270
  461   3HB   ALA  53           HB3      ALA  53 -42.064  -3.015   1.285
  462    H    HIS  54           HN       HIS  54 -42.974  -2.968   2.885
  463    HA   HIS  54           HA       HIS  54 -45.646  -3.302   4.108
  464   1HB   HIS  54           HB1      HIS  54 -44.538  -4.756   5.568
  465   2HB   HIS  54           HB2      HIS  54 -44.217  -3.231   6.385
  466    HD1  HIS  54           HD1      HIS  54 -42.493  -5.993   4.921
  467    HD2  HIS  54           HD2      HIS  54 -41.554  -2.072   5.597
  468    HE1  HIS  54           HE1      HIS  54 -40.046  -5.877   4.832
  469    H    SER  55           HN       SER  55 -45.998  -1.188   3.298
  470    HA   SER  55           HA       SER  55 -44.975   0.876   5.142
  471   1HB   SER  55           HB1      SER  55 -44.636   1.001   2.095
  472   2HB   SER  55           HB2      SER  55 -43.337   1.012   3.305
  473    HG   SER  55           HG1      SER  55 -45.433   2.913   3.034
  474    H    LYS  56           HN       LYS  56 -46.968   0.209   2.289
  475    HA   LYS  56           HA       LYS  56 -48.863   2.332   3.177
  476   1HB   LYS  56           HB1      LYS  56 -49.897   1.853   0.874
  477   2HB   LYS  56           HB2      LYS  56 -48.551   0.757   0.581
  478   1HG   LYS  56           HG1      LYS  56 -46.953   2.603   0.930
  479   2HG   LYS  56           HG2      LYS  56 -48.284   3.704   1.266
  480   1HD   LYS  56           HD1      LYS  56 -48.685   2.262  -1.240
  481   2HD   LYS  56           HD2      LYS  56 -47.180   3.173  -1.249
  482   1HE   LYS  56           HE1      LYS  56 -48.344   5.220  -0.662
  483   2HE   LYS  56           HE2      LYS  56 -49.849   4.346  -0.407
  484   1HZ   LYS  56           HZ1      LYS  56 -49.742   5.487  -2.559
  485   2HZ   LYS  56           HZ2      LYS  56 -49.941   3.808  -2.722
  486   3HZ   LYS  56           HZ3      LYS  56 -48.422   4.515  -3.001
  487    H    LYS  57           HN       LYS  57 -50.090  -0.153   1.181
  488    HA   LYS  57           HA       LYS  57 -51.001  -1.994   3.137
  489   1HB   LYS  57           HB1      LYS  57 -53.487  -0.694   2.457
  490   2HB   LYS  57           HB2      LYS  57 -52.398   0.527   3.106
  491   1HG   LYS  57           HG1      LYS  57 -52.004  -0.834   5.103
  492   2HG   LYS  57           HG2      LYS  57 -52.982  -2.139   4.439
  493   1HD   LYS  57           HD1      LYS  57 -54.987  -0.885   4.626
  494   2HD   LYS  57           HD2      LYS  57 -54.119   0.636   4.800
  495   1HE   LYS  57           HE1      LYS  57 -55.058  -0.235   6.968
  496   2HE   LYS  57           HE2      LYS  57 -53.313  -0.007   7.001
  497   1HZ   LYS  57           HZ1      LYS  57 -53.858  -2.590   6.069
  498   2HZ   LYS  57           HZ2      LYS  57 -54.757  -2.340   7.488
  499   3HZ   LYS  57                 LYS  57 -53.073  -2.126   7.501
   
  Start of MODEL          27
 Raw file had 499 H/Q atoms
  Start of MODEL   27
    1   1H    LYS   1           HT1      LYS   1 -10.835  -4.898 -12.136
    2   2H    LYS   1           HT2      LYS   1  -9.568  -3.914 -12.694
    3   3H    LYS   1           HT3      LYS   1 -10.965  -3.207 -12.035
    4    HA   LYS   1           HA       LYS   1  -9.507  -5.082 -10.351
    5   1HB   LYS   1           HB1      LYS   1  -8.541  -2.286 -10.141
    6   2HB   LYS   1           HB2      LYS   1  -8.078  -3.049 -11.655
    7   1HG   LYS   1           HG1      LYS   1  -6.336  -3.501 -10.028
    8   2HG   LYS   1           HG2      LYS   1  -7.195  -5.006 -10.320
    9   1HD   LYS   1           HD1      LYS   1  -8.496  -4.720  -8.278
   10   2HD   LYS   1           HD2      LYS   1  -7.826  -3.112  -8.031
   11   1HE   LYS   1           HE1      LYS   1  -6.314  -5.743  -7.959
   12   2HE   LYS   1           HE2      LYS   1  -6.627  -4.671  -6.599
   13   1HZ   LYS   1           HZ1      LYS   1  -4.659  -4.457  -8.711
   14   2HZ   LYS   1           HZ2      LYS   1  -4.601  -3.908  -7.106
   15   3HZ   LYS   1           HZ3      LYS   1  -5.424  -3.003  -8.283
   16    OH   TYR   2           OH       TYR   2  -7.438   2.283  -8.969
   17    H    TYR   2           HN       TYR   2 -11.336  -2.166 -10.974
   18    HA   TYR   2           HA       TYR   2 -11.976  -1.899  -8.091
   19   1HB   TYR   2           HB1      TYR   2 -13.181   0.160  -8.861
   20   2HB   TYR   2           HB2      TYR   2 -12.793  -0.253 -10.529
   21    HD1  TYR   2           HD2      TYR   2 -11.280   0.616  -7.251
   22    HD2  TYR   2           HD1      TYR   2 -10.640   0.249 -11.438
   23    HE1  TYR   2           HE2      TYR   2  -9.124   1.761  -7.021
   24    HE2  TYR   2           HE1      TYR   2  -8.478   1.380 -11.207
   25    HH   TYR   2           HH       TYR   2  -6.831   1.896  -9.603
   26    H    ILE   3           HN       ILE   3 -12.973  -4.213  -8.743
   27    HA   ILE   3           HA       ILE   3 -15.882  -3.715  -9.243
   28    HB   ILE   3           HB       ILE   3 -14.323  -6.274  -9.834
   29   1HG1  ILE   3          HG11      ILE   3 -14.611  -3.772 -11.368
   30   2HG1  ILE   3          HG12      ILE   3 -15.071  -5.213 -12.267
   31   1HG2  ILE   3          HG21      ILE   3 -17.072  -5.249 -10.723
   32   2HG2  ILE   3          HG22      ILE   3 -16.809  -6.471  -9.482
   33   3HG2  ILE   3          HG23      ILE   3 -16.377  -6.809 -11.154
   34   1HD1  ILE   3           HD1      ILE   3 -12.921  -6.266 -11.756
   35   2HD1  ILE   3           HD2      ILE   3 -12.466  -4.904 -10.738
   36   3HD1  ILE   3           HD3      ILE   3 -12.631  -4.686 -12.477
   37    H    CYS   4           HN       CYS   4 -16.978  -3.962  -7.378
   38    HA   CYS   4           HA       CYS   4 -15.896  -5.210  -5.081
   39   1HB   CYS   4           HB1      CYS   4 -18.782  -4.756  -5.889
   40   2HB   CYS   4           HB2      CYS   4 -17.809  -3.711  -4.894
   41    H    GLU   5           HN       GLU   5 -15.334  -7.230  -4.898
   42    HA   GLU   5           HA       GLU   5 -16.166  -9.344  -6.569
   43   1HB   GLU   5           HB1      GLU   5 -15.316 -10.765  -4.517
   44   2HB   GLU   5           HB2      GLU   5 -14.900  -9.205  -3.816
   45   1HG   GLU   5           HG1      GLU   5 -12.939  -9.971  -4.991
   46   2HG   GLU   5           HG2      GLU   5 -13.648  -8.700  -5.983
   47    H    GLU   6           HN       GLU   6 -17.765  -7.917  -3.879
   48    HA   GLU   6           HA       GLU   6 -19.422 -10.268  -3.390
   49   1HB   GLU   6           HB1      GLU   6 -19.943  -7.485  -2.306
   50   2HB   GLU   6           HB2      GLU   6 -18.646  -8.471  -1.646
   51   1HG   GLU   6           HG1      GLU   6 -20.238 -10.258  -1.102
   52   2HG   GLU   6           HG2      GLU   6 -21.548  -9.346  -1.848
   53    H    CYS   7           HN       CYS   7 -20.299  -6.878  -4.072
   54    HA   CYS   7           HA       CYS   7 -22.855  -7.729  -5.182
   55   1HB   CYS   7           HB1      CYS   7 -23.253  -5.394  -5.557
   56   2HB   CYS   7           HB2      CYS   7 -21.555  -5.024  -5.578
   57    H    GLY   8           HN       GLY   8 -19.946  -6.213  -6.520
   58   1HA   GLY   8           HA1      GLY   8 -20.652  -7.390  -9.174
   59   2HA   GLY   8           HA2      GLY   8 -19.008  -7.047  -8.644
   60    H    ILE   9           HN       ILE   9 -20.296  -4.490  -7.425
   61    HA   ILE   9           HA       ILE   9 -21.220  -2.872  -9.547
   62    HB   ILE   9           HB       ILE   9 -21.210  -2.395  -7.000
   63   1HG1  ILE   9          HG11      ILE   9 -21.912  -0.771  -8.785
   64   2HG1  ILE   9          HG12      ILE   9 -20.267  -0.152  -8.825
   65   1HG2  ILE   9          HG21      ILE   9 -18.518  -1.096  -7.638
   66   2HG2  ILE   9          HG22      ILE   9 -18.601  -2.728  -6.997
   67   3HG2  ILE   9          HG23      ILE   9 -19.235  -1.389  -6.063
   68   1HD1  ILE   9           HD1      ILE   9 -21.926  -0.278  -6.290
   69   2HD1  ILE   9           HD2      ILE   9 -21.868   1.142  -7.329
   70   3HD1  ILE   9           HD3      ILE   9 -20.406   0.579  -6.528
   71    NH1  ARG  10           NH2      ARG  10 -18.175  -2.507 -17.136
   72    NH2  ARG  10           NH1      ARG  10 -16.687  -4.221 -17.402
   73    H    ARG  10           HN       ARG  10 -20.223  -1.873 -11.186
   74    HA   ARG  10           HA       ARG  10 -17.259  -2.154 -11.354
   75   1HB   ARG  10           HB1      ARG  10 -19.217  -1.353 -13.551
   76   2HB   ARG  10           HB2      ARG  10 -18.819  -3.030 -13.200
   77   1HG   ARG  10           HG1      ARG  10 -16.418  -1.392 -13.411
   78   2HG   ARG  10           HG2      ARG  10 -17.386  -1.300 -14.878
   79   1HD   ARG  10           HD1      ARG  10 -16.677  -3.925 -13.531
   80   2HD   ARG  10           HD2      ARG  10 -15.713  -3.216 -14.826
   81    HE   ARG  10           HE       ARG  10 -18.364  -4.443 -15.128
   82   1HH1  ARG  10          HH21      ARG  10 -18.790  -1.993 -16.538
   83   2HH1  ARG  10          HH22      ARG  10 -18.078  -2.248 -18.097
   84   1HH2  ARG  10          HH11      ARG  10 -16.186  -4.990 -17.005
   85   2HH2  ARG  10          HH12      ARG  10 -16.564  -3.990 -18.367
   86    H    ABA  11           HN       ABU  11 -16.122  -0.424 -10.792
   87    HA   ABA  11           HA       ABU  11 -17.137   2.265 -11.620
   88   1HB   ABA  11           HB1      ABU  11 -16.401   3.166  -9.466
   89   2HB   ABA  11           HB2      ABU  11 -15.755   1.615  -8.985
   90   1HG   ABA  11           HG1      ABU  11 -18.056   0.647  -9.131
   91   2HG   ABA  11           HG2      ABU  11 -18.675   2.251  -9.504
   92   3HG   ABA  11           HG3      ABU  11 -17.946   1.934  -7.934
   93    H    LYS  12           HN       LYS  12 -15.740   2.738 -13.187
   94    HA   LYS  12           HA       LYS  12 -13.036   1.914 -13.322
   95   1HB   LYS  12           HB1      LYS  12 -12.857   3.676 -15.092
   96   2HB   LYS  12           HB2      LYS  12 -14.404   4.334 -14.576
   97   1HG   LYS  12           HG1      LYS  12 -15.503   2.185 -15.106
   98   2HG   LYS  12           HG2      LYS  12 -13.955   1.511 -15.605
   99   1HD   LYS  12           HD1      LYS  12 -14.820   4.083 -16.867
  100   2HD   LYS  12           HD2      LYS  12 -15.631   2.608 -17.380
  101   1HE   LYS  12           HE1      LYS  12 -13.639   1.643 -18.184
  102   2HE   LYS  12           HE2      LYS  12 -12.623   2.703 -17.215
  103   1HZ   LYS  12           HZ1      LYS  12 -14.361   3.882 -19.261
  104   2HZ   LYS  12           HZ2      LYS  12 -12.924   3.117 -19.744
  105   3HZ   LYS  12           HZ3      LYS  12 -12.868   4.428 -18.665
  106    H    LYS  13           HN       LYS  13 -14.118   3.716 -10.900
  107    HA   LYS  13           HA       LYS  13 -11.552   5.192 -10.741
  108   1HB   LYS  13           HB1      LYS  13 -13.021   7.088  -9.637
  109   2HB   LYS  13           HB2      LYS  13 -14.354   6.301 -10.477
  110   1HG   LYS  13           HG1      LYS  13 -13.157   6.536 -12.621
  111   2HG   LYS  13           HG2      LYS  13 -11.799   7.288 -11.792
  112   1HD   LYS  13           HD1      LYS  13 -14.501   8.478 -11.340
  113   2HD   LYS  13           HD2      LYS  13 -13.761   8.744 -12.914
  114   1HE   LYS  13           HE1      LYS  13 -11.805   9.743 -11.913
  115   2HE   LYS  13           HE2      LYS  13 -12.316   9.261 -10.299
  116   1HZ   LYS  13           HZ1      LYS  13 -13.252  11.248 -10.166
  117   2HZ   LYS  13           HZ2      LYS  13 -14.418  10.701 -11.273
  118   3HZ   LYS  13           HZ3      LYS  13 -13.057  11.553 -11.826
  119    HA   PRO  14           HA       PRO  14 -11.402   3.654  -6.589
  120   1HB   PRO  14           HB1      PRO  14  -9.349   4.553  -6.038
  121   2HB   PRO  14           HB2      PRO  14 -10.203   5.942  -5.366
  122   1HG   PRO  14           HG1      PRO  14  -8.494   5.996  -7.614
  123   2HG   PRO  14           HG2      PRO  14  -9.626   7.270  -7.156
  124   1HD   PRO  14           HD1      PRO  14 -10.758   6.814  -9.099
  125   2HD   PRO  14           HD2      PRO  14  -9.805   5.341  -9.355
  126    H    SER  15           HN       SER  15 -11.744   7.170  -6.143
  127    HA   SER  15           HA       SER  15 -13.215   7.391  -3.887
  128   1HB   SER  15           HB1      SER  15 -12.818   9.410  -5.181
  129   2HB   SER  15           HB2      SER  15 -14.584   9.246  -5.168
  130    HG   SER  15           HG1      SER  15 -12.739   8.673  -7.197
  131    H    MET  16           HN       MET  16 -14.582   6.345  -6.980
  132    HA   MET  16           HA       MET  16 -17.267   6.127  -5.911
  133   1HB   MET  16           HB1      MET  16 -17.500   4.631  -8.060
  134   2HB   MET  16           HB2      MET  16 -15.852   5.147  -8.410
  135   1HG   MET  16           HG1      MET  16 -17.425   6.642  -9.500
  136   2HG   MET  16           HG2      MET  16 -16.543   7.491  -8.260
  137   1HE   MET  16           HE1      MET  16 -19.667   5.967  -9.526
  138   2HE   MET  16           HE2      MET  16 -20.967   6.456  -8.439
  139   3HE   MET  16           HE3      MET  16 -19.850   5.179  -7.959
  140    H    LEU  17           HN       LEU  17 -14.757   3.701  -6.745
  141    HA   LEU  17           HA       LEU  17 -16.277   1.520  -5.633
  142   1HB   LEU  17           HB1      LEU  17 -13.245   1.588  -5.808
  143   2HB   LEU  17           HB2      LEU  17 -14.205   1.490  -7.264
  144    HG   LEU  17           HG       LEU  17 -13.486  -0.766  -6.448
  145   1HD1  LEU  17          HD11      LEU  17 -15.359  -0.382  -4.104
  146   2HD1  LEU  17          HD12      LEU  17 -13.639  -0.043  -3.986
  147   3HD1  LEU  17          HD13      LEU  17 -14.194  -1.664  -4.375
  148   1HD2  LEU  17          HD21      LEU  17 -15.469  -1.818  -7.015
  149   2HD2  LEU  17          HD22      LEU  17 -15.841  -0.194  -7.561
  150   3HD2  LEU  17          HD23      LEU  17 -16.461  -0.760  -6.023
  151    H    LYS  18           HN       LYS  18 -13.317   3.135  -4.501
  152    HA   LYS  18           HA       LYS  18 -12.963   2.100  -2.012
  153   1HB   LYS  18           HB1      LYS  18 -12.812   4.948  -3.032
  154   2HB   LYS  18           HB2      LYS  18 -11.494   3.874  -2.581
  155   1HG   LYS  18           HG1      LYS  18 -12.508   4.012  -0.181
  156   2HG   LYS  18           HG2      LYS  18 -13.345   5.438  -0.785
  157   1HD   LYS  18           HD1      LYS  18 -11.423   6.503  -0.136
  158   2HD   LYS  18           HD2      LYS  18 -10.835   5.941  -1.697
  159   1HE   LYS  18           HE1      LYS  18 -10.508   4.504   0.955
  160   2HE   LYS  18           HE2      LYS  18  -9.239   5.341   0.073
  161   1HZ   LYS  18           HZ1      LYS  18  -9.739   3.780  -1.808
  162   2HZ   LYS  18           HZ2      LYS  18 -10.681   2.883  -0.715
  163   3HZ   LYS  18           HZ3      LYS  18  -9.017   3.081  -0.440
  164    H    LYS  19           HN       LYS  19 -15.320   4.662  -2.756
  165    HA   LYS  19           HA       LYS  19 -16.345   4.765  -0.094
  166   1HB   LYS  19           HB1      LYS  19 -17.853   5.421  -2.666
  167   2HB   LYS  19           HB2      LYS  19 -16.666   6.512  -1.959
  168   1HG   LYS  19           HG1      LYS  19 -18.693   5.499  -0.055
  169   2HG   LYS  19           HG2      LYS  19 -19.336   6.530  -1.329
  170   1HD   LYS  19           HD1      LYS  19 -17.721   8.286  -0.770
  171   2HD   LYS  19           HD2      LYS  19 -16.972   7.248   0.437
  172   1HE   LYS  19           HE1      LYS  19 -19.890   8.071   0.512
  173   2HE   LYS  19           HE2      LYS  19 -18.619   8.916   1.388
  174   1HZ   LYS  19           HZ1      LYS  19 -18.731   6.037   1.748
  175   2HZ   LYS  19           HZ2      LYS  19 -20.015   6.922   2.417
  176   3HZ   LYS  19           HZ3      LYS  19 -18.417   7.265   2.877
  177    H    HIS  20           HN       HIS  20 -17.237   2.953  -2.980
  178    HA   HIS  20           HA       HIS  20 -19.652   1.831  -1.959
  179   1HB   HIS  20           HB1      HIS  20 -17.650   0.725  -3.975
  180   2HB   HIS  20           HB2      HIS  20 -19.075   1.679  -4.363
  181    HD1  HIS  20           HD1      HIS  20 -21.059   0.227  -4.793
  182    HD2  HIS  20           HD2      HIS  20 -18.258  -1.797  -2.659
  183    HE1  HIS  20           HE1      HIS  20 -21.936  -2.046  -4.553
  184    H    ILE  21           HN       ILE  21 -16.340   0.468  -2.054
  185    HA   ILE  21           HA       ILE  21 -16.982  -1.940  -0.748
  186    HB   ILE  21           HB       ILE  21 -14.667  -0.987  -1.764
  187   1HG1  ILE  21          HG11      ILE  21 -14.920  -3.001   0.504
  188   2HG1  ILE  21          HG12      ILE  21 -13.486  -2.825  -0.494
  189   1HG2  ILE  21          HG21      ILE  21 -14.142  -0.846   1.241
  190   2HG2  ILE  21          HG22      ILE  21 -14.541   0.591   0.323
  191   3HG2  ILE  21          HG23      ILE  21 -13.096  -0.312  -0.068
  192   1HD1  ILE  21           HD1      ILE  21 -14.435  -4.256  -1.967
  193   2HD1  ILE  21           HD2      ILE  21 -15.632  -3.016  -2.320
  194   3HD1  ILE  21           HD3      ILE  21 -15.959  -4.230  -1.088
  195    NH1  ARG  22           NH2      ARG  22 -15.879   3.218   6.172
  196    NH2  ARG  22           NH1      ARG  22 -16.459   5.281   5.379
  197    H    ARG  22           HN       ARG  22 -16.552   1.272   0.553
  198    HA   ARG  22           HA       ARG  22 -16.374   0.360   3.311
  199   1HB   ARG  22           HB1      ARG  22 -17.079   2.841   3.726
  200   2HB   ARG  22           HB2      ARG  22 -17.003   3.024   1.978
  201   1HG   ARG  22           HG1      ARG  22 -14.664   2.298   1.965
  202   2HG   ARG  22           HG2      ARG  22 -14.725   1.985   3.695
  203   1HD   ARG  22           HD1      ARG  22 -15.541   4.712   2.813
  204   2HD   ARG  22           HD2      ARG  22 -13.827   4.322   2.682
  205    HE   ARG  22           HE       ARG  22 -13.709   4.387   5.036
  206   1HH1  ARG  22          HH21      ARG  22 -15.242   2.448   6.167
  207   2HH1  ARG  22          HH22      ARG  22 -16.686   3.197   6.762
  208   1HH2  ARG  22          HH11      ARG  22 -16.258   6.056   4.781
  209   2HH2  ARG  22          HH12      ARG  22 -17.276   5.294   5.956
  210    H    THR  23           HN       THR  23 -19.012   1.323   1.180
  211    HA   THR  23           HA       THR  23 -21.082   1.619   3.025
  212    HB   THR  23           HB       THR  23 -21.482  -0.056   0.491
  213    HG1  THR  23           HG1      THR  23 -21.574   2.236  -0.362
  214   1HG2  THR  23          HG21      THR  23 -23.007   2.443   1.243
  215   2HG2  THR  23          HG22      THR  23 -23.310   1.021   2.240
  216   3HG2  THR  23          HG23      THR  23 -23.620   0.964   0.508
  217    H    HIS  24           HN       HIS  24 -19.318  -1.258   2.209
  218    HA   HIS  24           HA       HIS  24 -21.336  -3.060   3.342
  219   1HB   HIS  24           HB1      HIS  24 -19.299  -4.694   3.277
  220   2HB   HIS  24           HB2      HIS  24 -18.412  -3.378   2.517
  221    HD1  HIS  24           HD1      HIS  24 -21.527  -5.373   1.854
  222    HD2  HIS  24           HD2      HIS  24 -18.798  -3.145  -0.190
  223    HE1  HIS  24           HE1      HIS  24 -22.062  -5.690  -0.542
  224    H    THR  25           HN       THR  25 -19.992  -0.734   4.854
  225    HA   THR  25           HA       THR  25 -18.788  -2.214   7.118
  226    HB   THR  25           HB       THR  25 -18.479   0.243   7.960
  227    HG1  THR  25           HG1      THR  25 -20.022   0.444   5.725
  228   1HG2  THR  25          HG21      THR  25 -16.470  -0.354   6.867
  229   2HG2  THR  25          HG22      THR  25 -17.076   0.796   5.679
  230   3HG2  THR  25          HG23      THR  25 -17.325  -0.930   5.440
  231    H    ASP  26           HN       ASP  26 -20.313   0.682   7.931
  232    HA   ASP  26           HA       ASP  26 -22.782  -0.656   8.851
  233   1HB   ASP  26           HB1      ASP  26 -22.373   0.453  11.161
  234   2HB   ASP  26           HB2      ASP  26 -20.711   0.701  10.634
  235    H    VAL  27           HN       VAL  27 -21.924   1.414   6.954
  236    HA   VAL  27           HA       VAL  27 -23.241   3.829   8.067
  237    HB   VAL  27           HB       VAL  27 -21.085   4.136   6.917
  238   1HG1  VAL  27          HG11      VAL  27 -22.440   2.871   4.522
  239   2HG1  VAL  27          HG12      VAL  27 -21.203   2.111   5.506
  240   3HG1  VAL  27          HG13      VAL  27 -20.809   3.531   4.549
  241   1HG2  VAL  27          HG21      VAL  27 -21.772   6.056   5.916
  242   2HG2  VAL  27          HG22      VAL  27 -23.402   5.546   6.343
  243   3HG2  VAL  27          HG23      VAL  27 -22.755   5.185   4.746
  244    NH1  ARG  28           NH1      ARG  28 -25.631  -1.269   1.307
  245    NH2  ARG  28           NH2      ARG  28 -26.106  -3.017   2.700
  246    H    ARG  28           HN       ARG  28 -24.946   1.764   7.704
  247    HA   ARG  28           HA       ARG  28 -26.564   2.583   5.327
  248   1HB   ARG  28           HB1      ARG  28 -27.459   0.155   5.556
  249   2HB   ARG  28           HB2      ARG  28 -26.086  -0.124   6.621
  250   1HG   ARG  28           HG1      ARG  28 -24.762   1.015   4.599
  251   2HG   ARG  28           HG2      ARG  28 -26.120   0.388   3.680
  252   1HD   ARG  28           HD1      ARG  28 -25.657  -1.834   5.003
  253   2HD   ARG  28           HD2      ARG  28 -24.063  -1.127   5.271
  254    HE   ARG  28           HE       ARG  28 -23.586  -1.458   2.974
  255   1HH1  ARG  28          HH11      ARG  28 -25.095  -0.447   1.118
  256   2HH1  ARG  28          HH12      ARG  28 -26.322  -1.578   0.652
  257   1HH2  ARG  28          HH21      ARG  28 -25.927  -3.505   3.553
  258   2HH2  ARG  28          HH22      ARG  28 -26.805  -3.355   2.069
  259    HA   PRO  29           HA       PRO  29 -28.919   3.493   9.225
  260   1HB   PRO  29           HB1      PRO  29 -29.280   5.748   9.047
  261   2HB   PRO  29           HB2      PRO  29 -30.369   5.500   7.682
  262   1HG   PRO  29           HG1      PRO  29 -27.595   6.428   7.646
  263   2HG   PRO  29           HG2      PRO  29 -28.746   6.363   6.309
  264   1HD   PRO  29           HD1      PRO  29 -27.787   4.468   5.492
  265   2HD   PRO  29           HD2      PRO  29 -26.498   4.655   6.697
  266    OH   TYR  30           OH       TYR  30 -32.579   7.376   3.002
  267    H    TYR  30           HN       TYR  30 -29.960   2.768   5.971
  268    HA   TYR  30           HA       TYR  30 -32.771   2.449   6.732
  269   1HB   TYR  30           HB1      TYR  30 -32.958   1.424   4.425
  270   2HB   TYR  30           HB2      TYR  30 -31.211   1.529   4.266
  271    HD1  TYR  30           HD1      TYR  30 -34.151   3.687   5.099
  272    HD2  TYR  30           HD2      TYR  30 -30.295   3.482   3.315
  273    HE1  TYR  30           HE1      TYR  30 -34.369   6.010   4.356
  274    HE2  TYR  30           HE2      TYR  30 -30.513   5.808   2.577
  275    HH   TYR  30           HH       TYR  30 -32.440   7.401   2.053
  276    H    HIS  31           HN       HIS  31 -32.561   1.003   8.531
  277    HA   HIS  31           HA       HIS  31 -31.581  -1.731   7.924
  278   1HB   HIS  31           HB1      HIS  31 -31.637  -2.081  10.301
  279   2HB   HIS  31           HB2      HIS  31 -32.796  -0.778  10.547
  280    HD1  HIS  31           HD1      HIS  31 -29.236  -1.244   9.712
  281    HD2  HIS  31           HD2      HIS  31 -31.709   1.755  10.870
  282    HE1  HIS  31           HE1      HIS  31 -27.765   0.625  10.192
  283    H    CYS  32           HN       CYS  32 -32.868  -3.537   7.840
  284    HA   CYS  32           HA       CYS  32 -35.611  -3.211   7.108
  285   1HB   CYS  32           HB1      CYS  32 -33.880  -5.566   7.914
  286   2HB   CYS  32           HB2      CYS  32 -34.526  -5.190   6.338
  287    H    THR  33           HN       THR  33 -37.506  -3.887   8.233
  288    HA   THR  33           HA       THR  33 -37.394  -3.209  11.079
  289    HB   THR  33           HB       THR  33 -39.849  -4.258   9.577
  290    HG1  THR  33           HG1      THR  33 -39.720  -1.651   9.492
  291   1HG2  THR  33          HG21      THR  33 -40.983  -2.588  11.038
  292   2HG2  THR  33          HG22      THR  33 -39.428  -2.021  11.637
  293   3HG2  THR  33          HG23      THR  33 -40.001  -3.631  12.063
  294    OH   TYR  34           OH       TYR  34 -43.134  -6.804   9.495
  295    H    TYR  34           HN       TYR  34 -36.407  -5.847   9.713
  296    HA   TYR  34           HA       TYR  34 -37.375  -7.575  11.932
  297   1HB   TYR  34           HB1      TYR  34 -37.685  -9.468  10.330
  298   2HB   TYR  34           HB2      TYR  34 -37.249  -8.417   8.990
  299    HD1  TYR  34           HD2      TYR  34 -38.743  -6.435   8.461
  300    HD2  TYR  34           HD1      TYR  34 -39.900  -9.460  11.216
  301    HE1  TYR  34           HE2      TYR  34 -41.085  -5.740   8.241
  302    HE2  TYR  34           HE1      TYR  34 -42.240  -8.761  10.998
  303    HH   TYR  34           HH       TYR  34 -43.357  -6.293  10.277
  304    H    CYS  35           HN       CYS  35 -35.352  -7.850   9.030
  305    HA   CYS  35           HA       CYS  35 -33.368  -9.472  10.350
  306   1HB   CYS  35           HB1      CYS  35 -32.108  -9.203   8.296
  307   2HB   CYS  35           HB2      CYS  35 -32.979  -7.756   7.879
  308    H    ASN  36           HN       ASN  36 -31.009  -8.751  10.106
  309    HA   ASN  36           HA       ASN  36 -30.755  -6.157  11.546
  310   1HB   ASN  36           HB1      ASN  36 -28.701  -8.406  11.225
  311   2HB   ASN  36           HB2      ASN  36 -29.833  -8.321  12.573
  312   1HD2  ASN  36          HD21      ASN  36 -29.726  -6.225  13.891
  313   2HD2  ASN  36          HD22      ASN  36 -28.211  -5.478  14.069
  314    H    PHE  37           HN       PHE  37 -30.761  -7.159   8.525
  315    HA   PHE  37           HA       PHE  37 -28.229  -6.044   7.575
  316   1HB   PHE  37           HB1      PHE  37 -30.601  -6.539   5.773
  317   2HB   PHE  37           HB2      PHE  37 -29.818  -7.931   6.523
  318    HD1  PHE  37           HD2      PHE  37 -27.288  -8.202   6.208
  319    HD2  PHE  37           HD1      PHE  37 -29.594  -5.448   3.925
  320    HE1  PHE  37           HE2      PHE  37 -25.487  -8.071   4.542
  321    HE2  PHE  37           HE1      PHE  37 -27.793  -5.322   2.259
  322    HZ   PHE  37           HZ       PHE  37 -25.739  -6.631   2.568
  323    H    SER  38           HN       SER  38 -28.281  -4.347   5.865
  324    HA   SER  38           HA       SER  38 -30.528  -2.488   6.000
  325   1HB   SER  38           HB1      SER  38 -27.778  -1.632   7.026
  326   2HB   SER  38           HB2      SER  38 -29.162  -1.980   8.074
  327    HG   SER  38           HG1      SER  38 -29.766  -0.394   5.934
  328    H    PHE  39           HN       PHE  39 -30.033  -0.478   4.725
  329    HA   PHE  39           HA       PHE  39 -28.057  -1.037   2.566
  330   1HB   PHE  39           HB1      PHE  39 -29.737  -0.588   0.905
  331   2HB   PHE  39           HB2      PHE  39 -30.831   0.117   2.099
  332    HD1  PHE  39           HD2      PHE  39 -31.868  -1.376   3.847
  333    HD2  PHE  39           HD1      PHE  39 -29.675  -2.982   0.569
  334    HE1  PHE  39           HE2      PHE  39 -32.753  -3.609   4.350
  335    HE2  PHE  39           HE1      PHE  39 -30.587  -5.211   1.061
  336    HZ   PHE  39           HZ       PHE  39 -32.116  -5.526   2.959
  337    H    LYS  40           HN       LYS  40 -27.520   0.871   1.303
  338    HA   LYS  40           HA       LYS  40 -27.233   3.199   3.068
  339   1HB   LYS  40           HB1      LYS  40 -26.185   2.507   0.283
  340   2HB   LYS  40           HB2      LYS  40 -25.292   2.406   1.786
  341   1HG   LYS  40           HG1      LYS  40 -26.301   4.953   0.472
  342   2HG   LYS  40           HG2      LYS  40 -24.631   4.432   0.591
  343   1HD   LYS  40           HD1      LYS  40 -25.209   4.340   3.189
  344   2HD   LYS  40           HD2      LYS  40 -26.420   5.526   2.719
  345   1HE   LYS  40           HE1      LYS  40 -24.396   6.623   1.419
  346   2HE   LYS  40           HE2      LYS  40 -23.425   5.707   2.563
  347   1HZ   LYS  40           HZ1      LYS  40 -23.790   7.290   4.031
  348   2HZ   LYS  40           HZ2      LYS  40 -25.448   6.918   4.017
  349   3HZ   LYS  40           HZ3      LYS  40 -24.834   8.107   2.970
  350    H    THR  41           HN       THR  41 -29.340   2.196   0.595
  351    HA   THR  41           HA       THR  41 -30.350   5.004   0.354
  352    HB   THR  41           HB       THR  41 -30.654   4.714  -2.039
  353    HG1  THR  41           HG1      THR  41 -30.074   2.363  -2.661
  354   1HG2  THR  41          HG21      THR  41 -28.224   2.925  -1.516
  355   2HG2  THR  41          HG22      THR  41 -28.129   4.662  -1.236
  356   3HG2  THR  41          HG23      THR  41 -28.455   4.047  -2.854
  357    H    LYS  42           HN       LYS  42 -32.587   5.189  -0.164
  358    HA   LYS  42           HA       LYS  42 -34.193   3.289   1.281
  359   1HB   LYS  42           HB1      LYS  42 -35.005   5.608  -0.533
  360   2HB   LYS  42           HB2      LYS  42 -34.715   5.735   1.197
  361   1HG   LYS  42           HG1      LYS  42 -36.505   3.646   1.080
  362   2HG   LYS  42           HG2      LYS  42 -37.062   4.672  -0.238
  363   1HD   LYS  42           HD1      LYS  42 -36.893   6.630   1.418
  364   2HD   LYS  42           HD2      LYS  42 -36.723   5.413   2.678
  365   1HE   LYS  42           HE1      LYS  42 -39.008   5.494   2.717
  366   2HE   LYS  42           HE2      LYS  42 -38.877   4.429   1.324
  367   1HZ   LYS  42           HZ1      LYS  42 -39.827   5.967   0.089
  368   2HZ   LYS  42           HZ2      LYS  42 -38.592   7.075   0.453
  369   3HZ   LYS  42           HZ3      LYS  42 -39.973   6.987   1.439
  370    H    GLY  43           HN       GLY  43 -33.129   3.536  -1.936
  371   1HA   GLY  43           HA1      GLY  43 -33.758   2.394  -3.900
  372   2HA   GLY  43           HA2      GLY  43 -35.378   2.241  -3.221
  373    H    ASN  44           HN       ASN  44 -32.093   0.980  -2.674
  374    HA   ASN  44           HA       ASN  44 -32.601  -1.702  -3.140
  375   1HB   ASN  44           HB1      ASN  44 -30.788  -2.045  -1.261
  376   2HB   ASN  44           HB2      ASN  44 -30.760  -0.286  -1.181
  377   1HD2  ASN  44          HD21      ASN  44 -29.098   0.526  -2.436
  378   2HD2  ASN  44          HD22      ASN  44 -28.595  -0.104  -3.930
  379    H    LEU  45           HN       LEU  45 -33.358   0.178  -0.275
  380    HA   LEU  45           HA       LEU  45 -33.990  -1.955   1.479
  381   1HB   LEU  45           HB1      LEU  45 -35.198   0.851   1.193
  382   2HB   LEU  45           HB2      LEU  45 -33.865   0.401   2.235
  383    HG   LEU  45           HG       LEU  45 -35.744   0.520   3.690
  384   1HD1  LEU  45          HD11      LEU  45 -37.540  -1.405   2.334
  385   2HD1  LEU  45          HD12      LEU  45 -37.325   0.103   1.463
  386   3HD1  LEU  45          HD13      LEU  45 -37.914   0.123   3.117
  387   1HD2  LEU  45          HD21      LEU  45 -35.635  -2.435   3.014
  388   2HD2  LEU  45          HD22      LEU  45 -35.895  -1.687   4.584
  389   3HD2  LEU  45          HD23      LEU  45 -34.316  -1.594   3.816
  390    H    THR  46           HN       THR  46 -36.061  -0.162  -0.784
  391    HA   THR  46           HA       THR  46 -38.468  -1.561  -0.269
  392    HB   THR  46           HB       THR  46 -37.354  -0.188  -2.777
  393    HG1  THR  46           HG1      THR  46 -38.843   1.332  -2.048
  394   1HG2  THR  46          HG21      THR  46 -39.830  -0.224  -3.490
  395   2HG2  THR  46          HG22      THR  46 -40.116  -1.422  -2.232
  396   3HG2  THR  46          HG23      THR  46 -39.062  -1.805  -3.589
  397    H    LYS  47           HN       LYS  47 -35.755  -2.339  -2.382
  398    HA   LYS  47           HA       LYS  47 -36.957  -4.510  -3.766
  399   1HB   LYS  47           HB1      LYS  47 -34.044  -4.281  -2.857
  400   2HB   LYS  47           HB2      LYS  47 -34.687  -3.457  -4.270
  401   1HG   LYS  47           HG1      LYS  47 -34.717  -6.472  -3.846
  402   2HG   LYS  47           HG2      LYS  47 -33.560  -5.614  -4.854
  403   1HD   LYS  47           HD1      LYS  47 -35.836  -4.628  -5.915
  404   2HD   LYS  47           HD2      LYS  47 -36.449  -6.176  -5.346
  405   1HE   LYS  47           HE1      LYS  47 -34.324  -5.617  -7.395
  406   2HE   LYS  47           HE2      LYS  47 -35.671  -6.747  -7.474
  407   1HZ   LYS  47           HZ1      LYS  47 -33.862  -8.106  -7.148
  408   2HZ   LYS  47           HZ2      LYS  47 -34.453  -7.923  -5.567
  409   3HZ   LYS  47           HZ3      LYS  47 -33.099  -7.033  -6.075
  410    H    HIS  48           HN       HIS  48 -35.301  -4.376  -0.646
  411    HA   HIS  48           HA       HIS  48 -35.397  -7.234  -0.210
  412   1HB   HIS  48           HB1      HIS  48 -35.149  -4.881   1.735
  413   2HB   HIS  48           HB2      HIS  48 -33.819  -5.811   1.051
  414    HD1  HIS  48           HD1      HIS  48 -34.354  -8.544   1.623
  415    HD2  HIS  48           HD2      HIS  48 -35.694  -5.747   4.285
  416    HE1  HIS  48           HE1      HIS  48 -34.687  -9.754   3.723
  417    H    MET  49           HN       MET  49 -37.608  -4.600   0.338
  418    HA   MET  49           HA       MET  49 -39.373  -6.264   2.011
  419   1HB   MET  49           HB1      MET  49 -40.875  -4.128   1.677
  420   2HB   MET  49           HB2      MET  49 -39.440  -3.416   0.949
  421   1HG   MET  49           HG1      MET  49 -39.246  -2.812   3.197
  422   2HG   MET  49           HG2      MET  49 -38.197  -4.196   3.050
  423   1HE   MET  49           HE1      MET  49 -38.038  -5.917   4.722
  424   2HE   MET  49           HE2      MET  49 -38.846  -5.639   6.263
  425   3HE   MET  49           HE3      MET  49 -37.931  -4.339   5.502
  426    H    LYS  50           HN       LYS  50 -38.966  -5.429  -1.306
  427    HA   LYS  50           HA       LYS  50 -41.631  -5.785  -2.242
  428   1HB   LYS  50           HB1      LYS  50 -39.024  -6.550  -3.649
  429   2HB   LYS  50           HB2      LYS  50 -39.678  -4.916  -3.605
  430   1HG   LYS  50           HG1      LYS  50 -41.796  -5.824  -4.645
  431   2HG   LYS  50           HG2      LYS  50 -40.970  -7.365  -4.846
  432   1HD   LYS  50           HD1      LYS  50 -39.120  -5.985  -6.037
  433   2HD   LYS  50           HD2      LYS  50 -40.332  -4.712  -6.142
  434   1HE   LYS  50           HE1      LYS  50 -41.882  -6.535  -7.133
  435   2HE   LYS  50           HE2      LYS  50 -40.414  -7.480  -7.353
  436   1HZ   LYS  50           HZ1      LYS  50 -41.263  -5.915  -9.220
  437   2HZ   LYS  50           HZ2      LYS  50 -39.599  -6.038  -8.902
  438   3HZ   LYS  50           HZ3      LYS  50 -40.480  -4.710  -8.314
  439    H    SER  51           HN       SER  51 -38.974  -8.119  -1.889
  440    HA   SER  51           HA       SER  51 -40.397 -10.378  -2.870
  441   1HB   SER  51           HB1      SER  51 -38.187 -10.204  -0.745
  442   2HB   SER  51           HB2      SER  51 -37.945 -10.450  -2.485
  443    HG   SER  51           HG1      SER  51 -38.295 -12.327  -0.784
  444    H    LYS  52           HN       LYS  52 -41.171 -12.219  -1.571
  445    HA   LYS  52           HA       LYS  52 -43.055 -11.273   0.439
  446   1HB   LYS  52           HB1      LYS  52 -42.551 -14.211   0.075
  447   2HB   LYS  52           HB2      LYS  52 -43.094 -13.336  -1.352
  448   1HG   LYS  52           HG1      LYS  52 -45.016 -12.434  -0.024
  449   2HG   LYS  52           HG2      LYS  52 -44.490 -13.407   1.347
  450   1HD   LYS  52           HD1      LYS  52 -45.967 -14.913   0.416
  451   2HD   LYS  52           HD2      LYS  52 -44.548 -15.333  -0.539
  452   1HE   LYS  52           HE1      LYS  52 -46.483 -14.975  -2.018
  453   2HE   LYS  52           HE2      LYS  52 -45.275 -13.725  -2.292
  454   1HZ   LYS  52           HZ1      LYS  52 -46.848 -12.717  -0.308
  455   2HZ   LYS  52           HZ2      LYS  52 -47.953 -13.478  -1.348
  456   3HZ   LYS  52           HZ3      LYS  52 -46.902 -12.287  -1.950
  457    H    ALA  53           HN       ALA  53 -40.120 -11.164   0.995
  458    HA   ALA  53           HA       ALA  53 -39.189 -13.060   2.797
  459   1HB   ALA  53           HB1      ALA  53 -37.822 -11.117   2.244
  460   2HB   ALA  53           HB2      ALA  53 -38.098 -11.050   3.982
  461   3HB   ALA  53           HB3      ALA  53 -39.024 -10.011   2.903
  462    H    HIS  54           HN       HIS  54 -40.124 -10.116   4.394
  463    HA   HIS  54           HA       HIS  54 -42.257 -11.486   5.883
  464   1HB   HIS  54           HB1      HIS  54 -40.612 -12.091   7.401
  465   2HB   HIS  54           HB2      HIS  54 -40.918 -10.469   8.005
  466    HD1  HIS  54           HD1      HIS  54 -38.312 -12.474   6.579
  467    HD2  HIS  54           HD2      HIS  54 -38.977  -8.455   6.956
  468    HE1  HIS  54           HE1      HIS  54 -36.133 -11.417   6.244
  469    H    SER  55           HN       SER  55 -43.609  -9.931   4.996
  470    HA   SER  55           HA       SER  55 -43.411  -7.272   6.335
  471   1HB   SER  55           HB1      SER  55 -43.767  -6.107   4.283
  472   2HB   SER  55           HB2      SER  55 -44.456  -7.534   3.486
  473    HG   SER  55           HG1      SER  55 -42.079  -6.869   3.166
  474    H    LYS  56           HN       LYS  56 -45.090 -10.009   6.015
  475    HA   LYS  56           HA       LYS  56 -47.601  -8.678   6.827
  476   1HB   LYS  56           HB1      LYS  56 -48.852 -10.300   5.245
  477   2HB   LYS  56           HB2      LYS  56 -47.299 -10.595   4.474
  478   1HG   LYS  56           HG1      LYS  56 -47.085  -8.281   3.834
  479   2HG   LYS  56           HG2      LYS  56 -48.459  -7.816   4.831
  480   1HD   LYS  56           HD1      LYS  56 -49.963  -9.159   3.417
  481   2HD   LYS  56           HD2      LYS  56 -48.597  -9.684   2.439
  482   1HE   LYS  56           HE1      LYS  56 -49.616  -7.856   1.255
  483   2HE   LYS  56           HE2      LYS  56 -48.138  -7.222   1.967
  484   1HZ   LYS  56           HZ1      LYS  56 -49.907  -5.694   2.353
  485   2HZ   LYS  56           HZ2      LYS  56 -49.489  -6.404   3.837
  486   3HZ   LYS  56           HZ3      LYS  56 -50.891  -6.907   3.020
  487    H    LYS  57           HN       LYS  57 -46.006 -11.778   6.188
  488    HA   LYS  57           HA       LYS  57 -47.639 -13.415   7.775
  489   1HB   LYS  57           HB1      LYS  57 -44.619 -13.731   7.697
  490   2HB   LYS  57           HB2      LYS  57 -45.580 -13.995   6.246
  491   1HG   LYS  57           HG1      LYS  57 -46.932 -15.685   7.434
  492   2HG   LYS  57           HG2      LYS  57 -46.000 -15.407   8.902
  493   1HD   LYS  57           HD1      LYS  57 -44.487 -16.062   6.406
  494   2HD   LYS  57           HD2      LYS  57 -45.363 -17.370   7.193
  495   1HE   LYS  57           HE1      LYS  57 -44.209 -16.910   9.308
  496   2HE   LYS  57           HE2      LYS  57 -43.391 -15.530   8.588
  497   1HZ   LYS  57           HZ1      LYS  57 -43.006 -17.865   7.026
  498   2HZ   LYS  57           HZ2      LYS  57 -42.518 -18.132   8.631
  499   3HZ   LYS  57                 LYS  57 -41.851 -16.847   7.744
   
  Start of MODEL          28
 Raw file had 499 H/Q atoms
  Start of MODEL   28
    1   1H    LYS   1           HT1      LYS   1  -8.429  -3.704  -9.306
    2   2H    LYS   1           HT2      LYS   1  -7.642  -3.925 -10.795
    3   3H    LYS   1           HT3      LYS   1  -9.118  -4.708 -10.491
    4    HA   LYS   1           HA       LYS   1  -8.581  -1.895 -11.129
    5   1HB   LYS   1           HB1      LYS   1 -10.640  -2.261 -12.521
    6   2HB   LYS   1           HB2      LYS   1 -10.779  -3.892 -11.876
    7   1HG   LYS   1           HG1      LYS   1  -8.131  -3.191 -13.025
    8   2HG   LYS   1           HG2      LYS   1  -9.453  -3.305 -14.180
    9   1HD   LYS   1           HD1      LYS   1  -9.983  -5.558 -13.437
   10   2HD   LYS   1           HD2      LYS   1  -8.818  -5.445 -12.124
   11   1HE   LYS   1           HE1      LYS   1  -8.200  -5.403 -15.096
   12   2HE   LYS   1           HE2      LYS   1  -7.812  -6.693 -13.966
   13   1HZ   LYS   1           HZ1      LYS   1  -5.853  -5.509 -14.150
   14   2HZ   LYS   1           HZ2      LYS   1  -6.530  -4.889 -12.721
   15   3HZ   LYS   1           HZ3      LYS   1  -6.632  -4.000 -14.165
   16    OH   TYR   2           OH       TYR   2  -7.936   2.661  -9.093
   17    H    TYR   2           HN       TYR   2 -11.816  -2.594 -11.035
   18    HA   TYR   2           HA       TYR   2 -12.195  -1.822  -8.210
   19   1HB   TYR   2           HB1      TYR   2 -13.533   0.176  -8.838
   20   2HB   TYR   2           HB2      TYR   2 -13.206  -0.124 -10.543
   21    HD1  TYR   2           HD2      TYR   2 -11.544   0.609  -7.292
   22    HD2  TYR   2           HD1      TYR   2 -11.171   0.642 -11.528
   23    HE1  TYR   2           HE2      TYR   2  -9.441   1.850  -7.098
   24    HE2  TYR   2           HE1      TYR   2  -9.071   1.891 -11.333
   25    HH   TYR   2           HH       TYR   2  -8.053   3.504  -9.538
   26    H    ILE   3           HN       ILE   3 -12.983  -4.120  -8.722
   27    HA   ILE   3           HA       ILE   3 -15.887  -3.968  -9.432
   28    HB   ILE   3           HB       ILE   3 -14.093  -6.413  -9.748
   29   1HG1  ILE   3          HG11      ILE   3 -13.179  -4.636 -11.168
   30   2HG1  ILE   3          HG12      ILE   3 -14.782  -4.292 -11.813
   31   1HG2  ILE   3          HG21      ILE   3 -16.694  -6.514  -9.688
   32   2HG2  ILE   3          HG22      ILE   3 -15.927  -7.245 -11.092
   33   3HG2  ILE   3          HG23      ILE   3 -16.657  -5.647 -11.220
   34   1HD1  ILE   3           HD1      ILE   3 -14.850  -6.259 -13.059
   35   2HD1  ILE   3           HD2      ILE   3 -13.743  -7.102 -11.981
   36   3HD1  ILE   3           HD3      ILE   3 -13.126  -5.907 -13.118
   37    H    CYS   4           HN       CYS   4 -16.872  -4.000  -7.447
   38    HA   CYS   4           HA       CYS   4 -15.814  -5.179  -5.125
   39   1HB   CYS   4           HB1      CYS   4 -18.693  -4.804  -5.981
   40   2HB   CYS   4           HB2      CYS   4 -17.762  -3.759  -4.945
   41    H    GLU   5           HN       GLU   5 -15.223  -7.168  -4.814
   42    HA   GLU   5           HA       GLU   5 -15.910  -9.375  -6.429
   43   1HB   GLU   5           HB1      GLU   5 -15.131 -10.685  -4.274
   44   2HB   GLU   5           HB2      GLU   5 -14.784  -9.084  -3.630
   45   1HG   GLU   5           HG1      GLU   5 -13.414  -8.632  -5.711
   46   2HG   GLU   5           HG2      GLU   5 -13.638 -10.323  -6.154
   47    H    GLU   6           HN       GLU   6 -17.686  -7.913  -3.863
   48    HA   GLU   6           HA       GLU   6 -19.299 -10.304  -3.401
   49   1HB   GLU   6           HB1      GLU   6 -19.927  -7.517  -2.384
   50   2HB   GLU   6           HB2      GLU   6 -18.647  -8.471  -1.648
   51   1HG   GLU   6           HG1      GLU   6 -20.249 -10.287  -1.184
   52   2HG   GLU   6           HG2      GLU   6 -21.533  -9.366  -1.962
   53    H    CYS   7           HN       CYS   7 -20.232  -6.952  -4.164
   54    HA   CYS   7           HA       CYS   7 -22.701  -7.890  -5.404
   55   1HB   CYS   7           HB1      CYS   7 -23.205  -5.581  -5.707
   56   2HB   CYS   7           HB2      CYS   7 -21.528  -5.123  -5.722
   57    H    GLY   8           HN       GLY   8 -19.786  -6.236  -6.567
   58   1HA   GLY   8           HA1      GLY   8 -20.355  -7.340  -9.289
   59   2HA   GLY   8           HA2      GLY   8 -18.739  -7.008  -8.674
   60    H    ILE   9           HN       ILE   9 -20.234  -4.533  -7.428
   61    HA   ILE   9           HA       ILE   9 -21.093  -2.798  -9.426
   62    HB   ILE   9           HB       ILE   9 -20.926  -2.433  -6.856
   63   1HG1  ILE   9          HG11      ILE   9 -20.533  -0.434  -9.033
   64   2HG1  ILE   9          HG12      ILE   9 -20.318   0.135  -7.383
   65   1HG2  ILE   9          HG21      ILE   9 -18.326  -2.775  -7.017
   66   2HG2  ILE   9          HG22      ILE   9 -18.897  -1.462  -6.004
   67   3HG2  ILE   9          HG23      ILE   9 -18.277  -1.123  -7.612
   68   1HD1  ILE   9           HD1      ILE   9 -22.718  -1.546  -8.090
   69   2HD1  ILE   9           HD2      ILE   9 -22.722   0.181  -8.436
   70   3HD1  ILE   9           HD3      ILE   9 -22.532  -0.385  -6.779
   71    NH1  ARG  10           NH1      ARG  10 -16.341  -3.491 -16.914
   72    NH2  ARG  10           NH2      ARG  10 -15.914  -5.122 -15.374
   73    H    ARG  10           HN       ARG  10 -20.180  -1.815 -11.097
   74    HA   ARG  10           HA       ARG  10 -17.231  -2.074 -11.419
   75   1HB   ARG  10           HB1      ARG  10 -19.375  -1.358 -13.475
   76   2HB   ARG  10           HB2      ARG  10 -18.813  -2.997 -13.187
   77   1HG   ARG  10           HG1      ARG  10 -17.046  -0.673 -14.048
   78   2HG   ARG  10           HG2      ARG  10 -17.646  -1.930 -15.121
   79   1HD   ARG  10           HD1      ARG  10 -16.538  -3.506 -13.234
   80   2HD   ARG  10           HD2      ARG  10 -15.521  -2.083 -13.029
   81    HE   ARG  10           HE       ARG  10 -14.548  -2.550 -15.128
   82   1HH1  ARG  10          HH11      ARG  10 -16.308  -2.524 -17.170
   83   2HH1  ARG  10          HH12      ARG  10 -16.715  -4.164 -17.552
   84   1HH2  ARG  10          HH21      ARG  10 -15.562  -5.380 -14.474
   85   2HH2  ARG  10          HH22      ARG  10 -16.282  -5.823 -15.986
   86    H    ABA  11           HN       ABU  11 -16.272  -0.319 -10.579
   87    HA   ABA  11           HA       ABU  11 -17.174   2.342 -11.597
   88   1HB   ABA  11           HB1      ABU  11 -16.760   3.303  -9.401
   89   2HB   ABA  11           HB2      ABU  11 -16.055   1.810  -8.814
   90   1HG   ABA  11           HG1      ABU  11 -18.953   2.203  -9.629
   91   2HG   ABA  11           HG2      ABU  11 -18.359   2.047  -7.978
   92   3HG   ABA  11           HG3      ABU  11 -18.254   0.683  -9.086
   93    H    LYS  12           HN       LYS  12 -15.540   2.352 -13.138
   94    HA   LYS  12           HA       LYS  12 -12.854   1.669 -12.774
   95   1HB   LYS  12           HB1      LYS  12 -12.462   3.446 -14.610
   96   2HB   LYS  12           HB2      LYS  12 -14.184   3.794 -14.497
   97   1HG   LYS  12           HG1      LYS  12 -14.694   1.420 -14.990
   98   2HG   LYS  12           HG2      LYS  12 -12.972   1.076 -15.104
   99   1HD   LYS  12           HD1      LYS  12 -12.726   2.481 -17.035
  100   2HD   LYS  12           HD2      LYS  12 -14.327   3.177 -16.814
  101   1HE   LYS  12           HE1      LYS  12 -13.889   0.220 -17.308
  102   2HE   LYS  12           HE2      LYS  12 -14.146   1.369 -18.614
  103   1HZ   LYS  12           HZ1      LYS  12 -16.056   0.129 -17.014
  104   2HZ   LYS  12           HZ2      LYS  12 -16.304   1.261 -18.254
  105   3HZ   LYS  12           HZ3      LYS  12 -16.101   1.787 -16.652
  106    H    LYS  13           HN       LYS  13 -14.502   4.014 -11.086
  107    HA   LYS  13           HA       LYS  13 -12.071   5.675 -10.709
  108   1HB   LYS  13           HB1      LYS  13 -13.715   7.261  -9.589
  109   2HB   LYS  13           HB2      LYS  13 -14.997   6.138 -10.029
  110   1HG   LYS  13           HG1      LYS  13 -14.407   6.375 -12.411
  111   2HG   LYS  13           HG2      LYS  13 -13.093   7.466 -11.988
  112   1HD   LYS  13           HD1      LYS  13 -15.827   8.122 -10.966
  113   2HD   LYS  13           HD2      LYS  13 -15.507   8.393 -12.674
  114   1HE   LYS  13           HE1      LYS  13 -13.565   9.787 -12.121
  115   2HE   LYS  13           HE2      LYS  13 -13.788   9.456 -10.408
  116   1HZ   LYS  13           HZ1      LYS  13 -16.001  10.494 -10.587
  117   2HZ   LYS  13           HZ2      LYS  13 -15.645  10.925 -12.190
  118   3HZ   LYS  13           HZ3      LYS  13 -14.726  11.567 -10.913
  119    HA   PRO  14           HA       PRO  14 -11.625   3.527  -6.749
  120   1HB   PRO  14           HB1      PRO  14  -9.428   4.051  -6.292
  121   2HB   PRO  14           HB2      PRO  14  -9.946   5.612  -5.655
  122   1HG   PRO  14           HG1      PRO  14  -8.512   5.124  -8.098
  123   2HG   PRO  14           HG2      PRO  14  -9.113   6.673  -7.507
  124   1HD   PRO  14           HD1      PRO  14 -10.687   6.668  -9.158
  125   2HD   PRO  14           HD2      PRO  14 -10.136   5.067  -9.691
  126    H    SER  15           HN       SER  15 -12.134   7.027  -6.915
  127    HA   SER  15           HA       SER  15 -12.990   7.491  -4.283
  128   1HB   SER  15           HB1      SER  15 -12.760   9.316  -5.975
  129   2HB   SER  15           HB2      SER  15 -14.420   9.332  -5.348
  130    HG   SER  15           HG1      SER  15 -13.668   7.731  -7.550
  131    H    MET  16           HN       MET  16 -14.937   6.457  -7.070
  132    HA   MET  16           HA       MET  16 -17.365   6.204  -5.541
  133   1HB   MET  16           HB1      MET  16 -17.946   4.688  -7.632
  134   2HB   MET  16           HB2      MET  16 -16.400   5.262  -8.247
  135   1HG   MET  16           HG1      MET  16 -17.130   7.592  -7.877
  136   2HG   MET  16           HG2      MET  16 -18.674   7.014  -7.312
  137   1HE   MET  16           HE1      MET  16 -18.302   9.262 -10.145
  138   2HE   MET  16           HE2      MET  16 -19.066   8.982  -8.580
  139   3HE   MET  16           HE3      MET  16 -19.995   8.772 -10.065
  140    H    LEU  17           HN       LEU  17 -15.000   3.762  -6.693
  141    HA   LEU  17           HA       LEU  17 -16.389   1.557  -5.525
  142   1HB   LEU  17           HB1      LEU  17 -13.368   1.709  -5.785
  143   2HB   LEU  17           HB2      LEU  17 -14.370   1.605  -7.213
  144    HG   LEU  17           HG       LEU  17 -13.531  -0.640  -6.415
  145   1HD1  LEU  17          HD11      LEU  17 -13.745   0.004  -3.945
  146   2HD1  LEU  17          HD12      LEU  17 -14.275  -1.612  -4.380
  147   3HD1  LEU  17          HD13      LEU  17 -15.461  -0.350  -4.101
  148   1HD2  LEU  17          HD21      LEU  17 -15.840  -0.179  -7.607
  149   2HD2  LEU  17          HD22      LEU  17 -16.525  -0.685  -6.071
  150   3HD2  LEU  17          HD23      LEU  17 -15.486  -1.778  -6.973
  151    H    LYS  18           HN       LYS  18 -13.482   3.258  -4.414
  152    HA   LYS  18           HA       LYS  18 -13.028   2.165  -1.966
  153   1HB   LYS  18           HB1      LYS  18 -12.486   4.529  -1.148
  154   2HB   LYS  18           HB2      LYS  18 -13.163   5.137  -2.651
  155   1HG   LYS  18           HG1      LYS  18 -11.044   4.885  -3.464
  156   2HG   LYS  18           HG2      LYS  18 -11.467   3.182  -3.570
  157   1HD   LYS  18           HD1      LYS  18  -9.385   3.312  -2.352
  158   2HD   LYS  18           HD2      LYS  18 -10.641   2.914  -1.187
  159   1HE   LYS  18           HE1      LYS  18 -10.526   5.766  -1.374
  160   2HE   LYS  18           HE2      LYS  18  -8.878   5.180  -1.192
  161   1HZ   LYS  18           HZ1      LYS  18  -9.475   5.246   0.967
  162   2HZ   LYS  18           HZ2      LYS  18 -10.057   3.689   0.618
  163   3HZ   LYS  18           HZ3      LYS  18 -11.127   5.008   0.651
  164    H    LYS  19           HN       LYS  19 -15.521   4.628  -2.586
  165    HA   LYS  19           HA       LYS  19 -16.499   4.568   0.105
  166   1HB   LYS  19           HB1      LYS  19 -18.651   5.397  -1.450
  167   2HB   LYS  19           HB2      LYS  19 -17.290   5.764  -2.500
  168   1HG   LYS  19           HG1      LYS  19 -17.487   6.648   0.403
  169   2HG   LYS  19           HG2      LYS  19 -17.897   7.664  -0.973
  170   1HD   LYS  19           HD1      LYS  19 -15.593   7.400  -1.852
  171   2HD   LYS  19           HD2      LYS  19 -15.180   6.405  -0.463
  172   1HE   LYS  19           HE1      LYS  19 -16.206   9.253  -0.262
  173   2HE   LYS  19           HE2      LYS  19 -14.502   8.819  -0.216
  174   1HZ   LYS  19           HZ1      LYS  19 -16.490   8.617   1.830
  175   2HZ   LYS  19           HZ2      LYS  19 -14.796   8.609   1.956
  176   3HZ   LYS  19           HZ3      LYS  19 -15.629   7.169   1.617
  177    H    HIS  20           HN       HIS  20 -17.404   2.903  -2.871
  178    HA   HIS  20           HA       HIS  20 -19.775   1.672  -1.915
  179   1HB   HIS  20           HB1      HIS  20 -17.710   0.652  -3.905
  180   2HB   HIS  20           HB2      HIS  20 -19.142   1.591  -4.309
  181    HD1  HIS  20           HD1      HIS  20 -21.146   0.142  -4.714
  182    HD2  HIS  20           HD2      HIS  20 -18.269  -1.912  -2.701
  183    HE1  HIS  20           HE1      HIS  20 -21.999  -2.143  -4.506
  184    H    ILE  21           HN       ILE  21 -16.440   0.383  -2.021
  185    HA   ILE  21           HA       ILE  21 -17.063  -2.052  -0.721
  186    HB   ILE  21           HB       ILE  21 -14.774  -1.084  -1.804
  187   1HG1  ILE  21          HG11      ILE  21 -14.939  -3.119   0.453
  188   2HG1  ILE  21          HG12      ILE  21 -13.550  -2.933  -0.609
  189   1HG2  ILE  21          HG21      ILE  21 -14.170  -0.966   1.186
  190   2HG2  ILE  21          HG22      ILE  21 -14.571   0.475   0.275
  191   3HG2  ILE  21          HG23      ILE  21 -13.146  -0.445  -0.146
  192   1HD1  ILE  21           HD1      ILE  21 -14.573  -4.373  -2.026
  193   2HD1  ILE  21           HD2      ILE  21 -15.747  -3.104  -2.355
  194   3HD1  ILE  21           HD3      ILE  21 -16.074  -4.302  -1.109
  195    NH1  ARG  22           NH1      ARG  22 -12.257   5.760   2.485
  196    NH2  ARG  22           NH2      ARG  22 -11.994   5.413   4.728
  197    H    ARG  22           HN       ARG  22 -16.549   1.161   0.554
  198    HA   ARG  22           HA       ARG  22 -16.367   0.266   3.331
  199   1HB   ARG  22           HB1      ARG  22 -16.928   2.820   3.674
  200   2HB   ARG  22           HB2      ARG  22 -16.766   2.937   1.925
  201   1HG   ARG  22           HG1      ARG  22 -14.490   1.982   2.069
  202   2HG   ARG  22           HG2      ARG  22 -14.651   1.847   3.816
  203   1HD   ARG  22           HD1      ARG  22 -15.059   4.349   3.882
  204   2HD   ARG  22           HD2      ARG  22 -14.641   4.398   2.170
  205    HE   ARG  22           HE       ARG  22 -12.561   3.049   3.607
  206   1HH1  ARG  22          HH11      ARG  22 -12.599   5.436   1.603
  207   2HH1  ARG  22          HH12      ARG  22 -11.786   6.640   2.547
  208   1HH2  ARG  22          HH21      ARG  22 -12.138   4.831   5.528
  209   2HH2  ARG  22          HH22      ARG  22 -11.519   6.287   4.826
  210    H    THR  23           HN       THR  23 -18.900   0.731   1.094
  211    HA   THR  23           HA       THR  23 -20.952   1.422   3.013
  212    HB   THR  23           HB       THR  23 -21.492  -0.111   0.418
  213    HG1  THR  23           HG1      THR  23 -19.815   1.606   0.303
  214   1HG2  THR  23          HG21      THR  23 -22.721   2.360   1.776
  215   2HG2  THR  23          HG22      THR  23 -23.423   0.746   1.850
  216   3HG2  THR  23          HG23      THR  23 -23.338   1.599   0.312
  217    H    HIS  24           HN       HIS  24 -19.341  -1.521   2.186
  218    HA   HIS  24           HA       HIS  24 -21.496  -3.269   3.118
  219   1HB   HIS  24           HB1      HIS  24 -19.478  -4.954   3.196
  220   2HB   HIS  24           HB2      HIS  24 -18.540  -3.651   2.475
  221    HD1  HIS  24           HD1      HIS  24 -21.548  -5.723   1.681
  222    HD2  HIS  24           HD2      HIS  24 -18.908  -3.281  -0.233
  223    HE1  HIS  24           HE1      HIS  24 -22.018  -5.992  -0.727
  224    H    THR  25           HN       THR  25 -20.020  -1.039   4.747
  225    HA   THR  25           HA       THR  25 -19.149  -2.638   7.075
  226    HB   THR  25           HB       THR  25 -18.588  -0.285   7.951
  227    HG1  THR  25           HG1      THR  25 -18.883   1.273   6.158
  228   1HG2  THR  25          HG21      THR  25 -16.770  -1.229   6.599
  229   2HG2  THR  25          HG22      THR  25 -17.061   0.381   5.948
  230   3HG2  THR  25          HG23      THR  25 -17.706  -1.033   5.122
  231    H    ASP  26           HN       ASP  26 -20.419   0.330   7.881
  232    HA   ASP  26           HA       ASP  26 -23.141  -0.630   8.425
  233   1HB   ASP  26           HB1      ASP  26 -22.913  -0.115  10.876
  234   2HB   ASP  26           HB2      ASP  26 -21.204   0.240  10.636
  235    H    VAL  27           HN       VAL  27 -21.841   1.348   6.830
  236    HA   VAL  27           HA       VAL  27 -22.581   3.893   8.148
  237    HB   VAL  27           HB       VAL  27 -20.418   3.772   6.971
  238   1HG1  VAL  27          HG11      VAL  27 -21.067   1.971   5.383
  239   2HG1  VAL  27          HG12      VAL  27 -20.294   3.319   4.567
  240   3HG1  VAL  27          HG13      VAL  27 -22.042   3.124   4.493
  241   1HG2  VAL  27          HG21      VAL  27 -21.762   5.398   4.943
  242   2HG2  VAL  27          HG22      VAL  27 -20.647   5.896   6.210
  243   3HG2  VAL  27          HG23      VAL  27 -22.364   5.729   6.564
  244    NH1  ARG  28           NH1      ARG  28 -24.317  -2.053   6.050
  245    NH2  ARG  28           NH2      ARG  28 -25.478  -3.352   4.570
  246    H    ARG  28           HN       ARG  28 -24.754   2.328   7.655
  247    HA   ARG  28           HA       ARG  28 -26.090   3.628   5.309
  248   1HB   ARG  28           HB1      ARG  28 -27.726   1.624   5.687
  249   2HB   ARG  28           HB2      ARG  28 -26.444   0.943   6.681
  250   1HG   ARG  28           HG1      ARG  28 -24.884   1.160   4.739
  251   2HG   ARG  28           HG2      ARG  28 -26.222   1.742   3.759
  252   1HD   ARG  28           HD1      ARG  28 -26.944  -0.369   3.392
  253   2HD   ARG  28           HD2      ARG  28 -26.967  -0.711   5.120
  254    HE   ARG  28           HE       ARG  28 -24.472  -0.943   3.481
  255   1HH1  ARG  28          HH11      ARG  28 -23.948  -1.157   6.296
  256   2HH1  ARG  28          HH12      ARG  28 -24.180  -2.835   6.658
  257   1HH2  ARG  28          HH21      ARG  28 -25.979  -3.429   3.708
  258   2HH2  ARG  28          HH22      ARG  28 -25.361  -4.156   5.154
  259    HA   PRO  29           HA       PRO  29 -28.025   5.334   9.173
  260   1HB   PRO  29           HB1      PRO  29 -27.621   7.581   8.953
  261   2HB   PRO  29           HB2      PRO  29 -28.763   7.678   7.611
  262   1HG   PRO  29           HG1      PRO  29 -25.849   7.703   7.502
  263   2HG   PRO  29           HG2      PRO  29 -26.991   7.935   6.177
  264   1HD   PRO  29           HD1      PRO  29 -26.627   5.818   5.425
  265   2HD   PRO  29           HD2      PRO  29 -25.357   5.641   6.647
  266    OH   TYR  30           OH       TYR  30 -29.968  10.116   2.857
  267    H    TYR  30           HN       TYR  30 -29.204   5.050   5.887
  268    HA   TYR  30           HA       TYR  30 -31.979   5.592   6.595
  269   1HB   TYR  30           HB1      TYR  30 -32.435   4.685   4.290
  270   2HB   TYR  30           HB2      TYR  30 -30.755   4.175   4.174
  271    HD1  TYR  30           HD1      TYR  30 -32.759   7.242   4.963
  272    HD2  TYR  30           HD2      TYR  30 -29.221   5.665   3.205
  273    HE1  TYR  30           HE1      TYR  30 -32.133   9.488   4.211
  274    HE2  TYR  30           HE2      TYR  30 -28.594   7.912   2.454
  275    HH   TYR  30           HH       TYR  30 -30.702  10.475   2.353
  276    H    HIS  31           HN       HIS  31 -32.548   4.239   8.282
  277    HA   HIS  31           HA       HIS  31 -32.410   1.297   7.779
  278   1HB   HIS  31           HB1      HIS  31 -32.897   1.125  10.236
  279   2HB   HIS  31           HB2      HIS  31 -33.014   2.880  10.327
  280    HD1  HIS  31           HD1      HIS  31 -30.494   0.293   9.560
  281    HD2  HIS  31           HD2      HIS  31 -30.612   4.207  10.614
  282    HE1  HIS  31           HE1      HIS  31 -28.179   0.896   9.973
  283    H    CYS  32           HN       CYS  32 -34.233   0.129   7.433
  284    HA   CYS  32           HA       CYS  32 -36.681   1.345   6.772
  285   1HB   CYS  32           HB1      CYS  32 -35.867  -1.432   7.635
  286   2HB   CYS  32           HB2      CYS  32 -36.472  -0.905   6.088
  287    H    THR  33           HN       THR  33 -38.698   1.427   7.891
  288    HA   THR  33           HA       THR  33 -38.322   2.051  10.745
  289    HB   THR  33           HB       THR  33 -40.725   2.313   8.839
  290    HG1  THR  33           HG1      THR  33 -38.665   3.896   9.916
  291   1HG2  THR  33          HG21      THR  33 -40.411   2.695  11.814
  292   2HG2  THR  33          HG22      THR  33 -41.888   2.415  10.896
  293   3HG2  THR  33          HG23      THR  33 -41.177   4.025  10.950
  294    OH   TYR  34           OH       TYR  34 -44.613   1.523   9.067
  295    H    TYR  34           HN       TYR  34 -38.270  -0.734   9.625
  296    HA   TYR  34           HA       TYR  34 -39.974  -1.914  11.713
  297   1HB   TYR  34           HB1      TYR  34 -41.148  -3.420  10.150
  298   2HB   TYR  34           HB2      TYR  34 -40.243  -2.772   8.789
  299    HD1  TYR  34           HD2      TYR  34 -40.723  -0.490   7.949
  300    HD2  TYR  34           HD1      TYR  34 -42.971  -2.142  11.157
  301    HE1  TYR  34           HE2      TYR  34 -42.423   1.245   7.647
  302    HE2  TYR  34           HE1      TYR  34 -44.672  -0.400  10.852
  303    HH   TYR  34           HH       TYR  34 -44.241   2.206   8.505
  304    H    CYS  35           HN       CYS  35 -38.436  -3.194   8.775
  305    HA   CYS  35           HA       CYS  35 -37.286  -5.457  10.045
  306   1HB   CYS  35           HB1      CYS  35 -35.932  -5.665   8.039
  307   2HB   CYS  35           HB2      CYS  35 -36.084  -3.967   7.688
  308    H    ASN  36           HN       ASN  36 -34.629  -5.401   9.228
  309    HA   ASN  36           HA       ASN  36 -33.411  -3.391  11.075
  310   1HB   ASN  36           HB1      ASN  36 -32.685  -6.336  10.641
  311   2HB   ASN  36           HB2      ASN  36 -33.375  -5.648  12.109
  312   1HD2  ASN  36          HD21      ASN  36 -30.485  -6.665  10.852
  313   2HD2  ASN  36          HD22      ASN  36 -29.423  -5.679  11.736
  314    H    PHE  37           HN       PHE  37 -33.748  -4.245   7.981
  315    HA   PHE  37           HA       PHE  37 -30.975  -4.190   7.091
  316   1HB   PHE  37           HB1      PHE  37 -33.312  -3.507   5.300
  317   2HB   PHE  37           HB2      PHE  37 -33.192  -5.148   5.931
  318    HD1  PHE  37           HD2      PHE  37 -30.970  -6.405   5.567
  319    HD2  PHE  37           HD1      PHE  37 -31.965  -2.831   3.477
  320    HE1  PHE  37           HE2      PHE  37 -29.276  -6.925   3.867
  321    HE2  PHE  37           HE1      PHE  37 -30.268  -3.357   1.778
  322    HZ   PHE  37           HZ       PHE  37 -28.924  -5.403   1.974
  323    H    SER  38           HN       SER  38 -30.030  -2.493   5.825
  324    HA   SER  38           HA       SER  38 -31.360   0.141   6.056
  325   1HB   SER  38           HB1      SER  38 -28.451  -0.228   6.871
  326   2HB   SER  38           HB2      SER  38 -29.761  -0.345   8.049
  327    HG   SER  38           HG1      SER  38 -30.299   1.703   7.709
  328    H    PHE  39           HN       PHE  39 -30.559   1.715   4.644
  329    HA   PHE  39           HA       PHE  39 -28.883   0.617   2.423
  330   1HB   PHE  39           HB1      PHE  39 -30.302   1.789   0.880
  331   2HB   PHE  39           HB2      PHE  39 -30.993   2.790   2.157
  332    HD1  PHE  39           HD2      PHE  39 -32.491   1.710   3.888
  333    HD2  PHE  39           HD1      PHE  39 -31.212  -0.387   0.407
  334    HE1  PHE  39           HE2      PHE  39 -34.233   0.021   4.261
  335    HE2  PHE  39           HE1      PHE  39 -32.967  -2.065   0.779
  336    HZ   PHE  39           HZ       PHE  39 -34.475  -1.864   2.709
  337    H    LYS  40           HN       LYS  40 -27.692   2.220   1.211
  338    HA   LYS  40           HA       LYS  40 -26.516   4.217   3.030
  339   1HB   LYS  40           HB1      LYS  40 -25.793   3.184   0.253
  340   2HB   LYS  40           HB2      LYS  40 -25.020   2.748   1.758
  341   1HG   LYS  40           HG1      LYS  40 -24.970   5.494   0.449
  342   2HG   LYS  40           HG2      LYS  40 -23.625   4.373   0.573
  343   1HD   LYS  40           HD1      LYS  40 -24.049   4.478   3.133
  344   2HD   LYS  40           HD2      LYS  40 -24.955   5.941   2.774
  345   1HE   LYS  40           HE1      LYS  40 -22.031   5.385   2.226
  346   2HE   LYS  40           HE2      LYS  40 -22.719   6.666   3.217
  347   1HZ   LYS  40           HZ1      LYS  40 -22.126   6.709   0.483
  348   2HZ   LYS  40           HZ2      LYS  40 -22.751   7.958   1.448
  349   3HZ   LYS  40           HZ3      LYS  40 -23.806   6.886   0.660
  350    H    THR  41           HN       THR  41 -28.782   4.095   0.476
  351    HA   THR  41           HA       THR  41 -28.653   7.079   0.258
  352    HB   THR  41           HB       THR  41 -29.068   6.921  -2.140
  353    HG1  THR  41           HG1      THR  41 -30.573   5.376  -2.269
  354   1HG2  THR  41          HG21      THR  41 -26.741   5.891  -1.222
  355   2HG2  THR  41          HG22      THR  41 -27.177   5.662  -2.912
  356   3HG2  THR  41          HG23      THR  41 -27.453   4.369  -1.748
  357    H    LYS  42           HN       LYS  42 -30.631   8.116  -0.237
  358    HA   LYS  42           HA       LYS  42 -32.851   6.973   1.180
  359   1HB   LYS  42           HB1      LYS  42 -32.701   9.437  -0.628
  360   2HB   LYS  42           HB2      LYS  42 -32.371   9.438   1.099
  361   1HG   LYS  42           HG1      LYS  42 -35.028   8.710  -0.192
  362   2HG   LYS  42           HG2      LYS  42 -34.675  10.211   0.650
  363   1HD   LYS  42           HD1      LYS  42 -33.940   8.527   2.590
  364   2HD   LYS  42           HD2      LYS  42 -35.076   7.466   1.766
  365   1HE   LYS  42           HE1      LYS  42 -36.745   9.396   1.846
  366   2HE   LYS  42           HE2      LYS  42 -35.625  10.208   2.933
  367   1HZ   LYS  42           HZ1      LYS  42 -35.782   7.828   4.089
  368   2HZ   LYS  42           HZ2      LYS  42 -37.333   7.913   3.405
  369   3HZ   LYS  42           HZ3      LYS  42 -36.809   9.123   4.477
  370    H    GLY  43           HN       GLY  43 -31.810   6.967  -2.092
  371   1HA   GLY  43           HA1      GLY  43 -32.779   6.055  -4.028
  372   2HA   GLY  43           HA2      GLY  43 -34.328   6.615  -3.402
  373    H    ASN  44           HN       ASN  44 -31.911   4.073  -2.800
  374    HA   ASN  44           HA       ASN  44 -33.507   1.861  -3.258
  375   1HB   ASN  44           HB1      ASN  44 -32.024   0.721  -1.487
  376   2HB   ASN  44           HB2      ASN  44 -31.338   2.309  -1.158
  377   1HD2  ASN  44          HD21      ASN  44 -30.752   3.490  -3.428
  378   2HD2  ASN  44          HD22      ASN  44 -29.856   2.520  -4.495
  379    H    LEU  45           HN       LEU  45 -33.207   3.666  -0.217
  380    HA   LEU  45           HA       LEU  45 -34.769   2.077   1.446
  381   1HB   LEU  45           HB1      LEU  45 -34.677   5.133   1.207
  382   2HB   LEU  45           HB2      LEU  45 -33.658   4.142   2.228
  383    HG   LEU  45           HG       LEU  45 -35.297   5.013   3.711
  384   1HD1  LEU  45          HD11      LEU  45 -36.909   5.396   1.514
  385   2HD1  LEU  45          HD12      LEU  45 -37.442   5.581   3.178
  386   3HD1  LEU  45          HD13      LEU  45 -37.744   4.081   2.319
  387   1HD2  LEU  45          HD21      LEU  45 -36.385   3.066   4.563
  388   2HD2  LEU  45          HD22      LEU  45 -34.921   2.487   3.777
  389   3HD2  LEU  45          HD23      LEU  45 -36.476   2.316   2.974
  390    H    THR  46           HN       THR  46 -35.952   4.667  -0.703
  391    HA   THR  46           HA       THR  46 -38.711   4.308  -0.171
  392    HB   THR  46           HB       THR  46 -37.194   5.241  -2.673
  393    HG1  THR  46           HG1      THR  46 -38.917   6.833  -1.246
  394   1HG2  THR  46          HG21      THR  46 -40.195   5.116  -2.051
  395   2HG2  THR  46          HG22      THR  46 -39.399   4.559  -3.519
  396   3HG2  THR  46          HG23      THR  46 -39.533   6.283  -3.190
  397    H    LYS  47           HN       LYS  47 -36.545   2.618  -2.362
  398    HA   LYS  47           HA       LYS  47 -38.512   1.154  -3.808
  399   1HB   LYS  47           HB1      LYS  47 -35.873  -0.108  -3.045
  400   2HB   LYS  47           HB2      LYS  47 -35.846   1.350  -4.029
  401   1HG   LYS  47           HG1      LYS  47 -37.218   0.309  -5.732
  402   2HG   LYS  47           HG2      LYS  47 -37.504  -1.097  -4.711
  403   1HD   LYS  47           HD1      LYS  47 -35.120  -1.672  -4.783
  404   2HD   LYS  47           HD2      LYS  47 -34.777  -0.225  -5.724
  405   1HE   LYS  47           HE1      LYS  47 -36.879  -2.064  -6.778
  406   2HE   LYS  47           HE2      LYS  47 -35.211  -2.610  -6.888
  407   1HZ   LYS  47           HZ1      LYS  47 -36.558  -0.655  -8.430
  408   2HZ   LYS  47           HZ2      LYS  47 -35.031  -1.355  -8.678
  409   3HZ   LYS  47           HZ3      LYS  47 -35.185   0.019  -7.692
  410    H    HIS  48           HN       HIS  48 -37.021   0.609  -0.671
  411    HA   HIS  48           HA       HIS  48 -38.088  -2.071  -0.367
  412   1HB   HIS  48           HB1      HIS  48 -37.075  -0.027   1.674
  413   2HB   HIS  48           HB2      HIS  48 -36.140  -1.337   0.960
  414    HD1  HIS  48           HD1      HIS  48 -37.696  -3.716   1.391
  415    HD2  HIS  48           HD2      HIS  48 -37.851  -0.757   4.207
  416    HE1  HIS  48           HE1      HIS  48 -38.436  -4.816   3.446
  417    H    MET  49           HN       MET  49 -39.211   1.159   0.395
  418    HA   MET  49           HA       MET  49 -41.502   0.125   1.926
  419   1HB   MET  49           HB1      MET  49 -42.129   2.565   2.028
  420   2HB   MET  49           HB2      MET  49 -40.795   2.935   0.942
  421   1HG   MET  49           HG1      MET  49 -39.205   1.998   2.555
  422   2HG   MET  49           HG2      MET  49 -40.514   1.566   3.623
  423   1HE   MET  49           HE1      MET  49 -41.465   4.489   5.560
  424   2HE   MET  49           HE2      MET  49 -40.753   2.895   5.819
  425   3HE   MET  49           HE3      MET  49 -42.074   3.095   4.668
  426    H    LYS  50           HN       LYS  50 -40.750   0.786  -1.332
  427    HA   LYS  50           HA       LYS  50 -43.400   1.498  -2.237
  428   1HB   LYS  50           HB1      LYS  50 -41.209   0.093  -3.834
  429   2HB   LYS  50           HB2      LYS  50 -41.186   1.822  -3.505
  430   1HG   LYS  50           HG1      LYS  50 -43.419   2.037  -4.585
  431   2HG   LYS  50           HG2      LYS  50 -43.391   0.319  -4.959
  432   1HD   LYS  50           HD1      LYS  50 -41.324   2.341  -5.901
  433   2HD   LYS  50           HD2      LYS  50 -42.637   1.715  -6.889
  434   1HE   LYS  50           HE1      LYS  50 -41.031   0.188  -7.508
  435   2HE   LYS  50           HE2      LYS  50 -41.573  -0.628  -6.048
  436   1HZ   LYS  50           HZ1      LYS  50 -39.684   1.275  -5.300
  437   2HZ   LYS  50           HZ2      LYS  50 -39.044   0.423  -6.623
  438   3HZ   LYS  50           HZ3      LYS  50 -39.551  -0.417  -5.237
  439    H    SER  51           HN       SER  51 -41.565  -1.554  -2.497
  440    HA   SER  51           HA       SER  51 -43.587  -3.148  -3.594
  441   1HB   SER  51           HB1      SER  51 -41.505  -3.897  -1.466
  442   2HB   SER  51           HB2      SER  51 -41.297  -4.021  -3.224
  443    HG   SER  51           HG1      SER  51 -42.028  -5.995  -2.230
  444    H    LYS  52           HN       LYS  52 -44.525  -5.087  -2.188
  445    HA   LYS  52           HA       LYS  52 -46.483  -3.831  -0.447
  446   1HB   LYS  52           HB1      LYS  52 -47.128  -5.760  -1.834
  447   2HB   LYS  52           HB2      LYS  52 -47.264  -6.234  -0.145
  448   1HG   LYS  52           HG1      LYS  52 -44.987  -7.254  -0.276
  449   2HG   LYS  52           HG2      LYS  52 -44.921  -6.834  -1.984
  450   1HD   LYS  52           HD1      LYS  52 -47.148  -8.134  -2.196
  451   2HD   LYS  52           HD2      LYS  52 -46.766  -8.791  -0.609
  452   1HE   LYS  52           HE1      LYS  52 -44.996  -8.958  -3.071
  453   2HE   LYS  52           HE2      LYS  52 -45.925 -10.284  -2.382
  454   1HZ   LYS  52           HZ1      LYS  52 -43.505 -10.161  -1.765
  455   2HZ   LYS  52           HZ2      LYS  52 -44.599 -10.312  -0.475
  456   3HZ   LYS  52           HZ3      LYS  52 -43.897  -8.805  -0.821
  457    H    ALA  53           HN       ALA  53 -43.778  -3.557   0.464
  458    HA   ALA  53           HA       ALA  53 -43.135  -5.398   2.544
  459   1HB   ALA  53           HB1      ALA  53 -41.473  -3.786   1.744
  460   2HB   ALA  53           HB2      ALA  53 -41.780  -3.421   3.439
  461   3HB   ALA  53           HB3      ALA  53 -42.508  -2.431   2.179
  462    H    HIS  54           HN       HIS  54 -43.195  -2.447   4.056
  463    HA   HIS  54           HA       HIS  54 -45.896  -2.694   5.158
  464   1HB   HIS  54           HB1      HIS  54 -45.019  -4.187   6.701
  465   2HB   HIS  54           HB2      HIS  54 -44.586  -2.695   7.523
  466    HD1  HIS  54           HD1      HIS  54 -43.071  -5.659   6.657
  467    HD2  HIS  54           HD2      HIS  54 -41.798  -1.787   6.318
  468    HE1  HIS  54           HE1      HIS  54 -40.638  -5.788   6.486
  469    H    SER  55           HN       SER  55 -46.187  -0.590   4.456
  470    HA   SER  55           HA       SER  55 -44.806   1.457   6.144
  471   1HB   SER  55           HB1      SER  55 -45.383   1.546   3.135
  472   2HB   SER  55           HB2      SER  55 -43.803   1.689   3.929
  473    HG   SER  55           HG1      SER  55 -45.846   3.535   3.675
  474    H    LYS  56           HN       LYS  56 -47.693   0.175   4.885
  475    HA   LYS  56           HA       LYS  56 -49.219   2.651   5.514
  476   1HB   LYS  56           HB1      LYS  56 -51.100   1.497   4.402
  477   2HB   LYS  56           HB2      LYS  56 -50.184   0.000   4.328
  478   1HG   LYS  56           HG1      LYS  56 -48.897   2.418   3.135
  479   2HG   LYS  56           HG2      LYS  56 -50.280   1.762   2.269
  480   1HD   LYS  56           HD1      LYS  56 -48.189  -0.176   3.194
  481   2HD   LYS  56           HD2      LYS  56 -47.795   0.859   1.831
  482   1HE   LYS  56           HE1      LYS  56 -48.832  -1.278   1.093
  483   2HE   LYS  56           HE2      LYS  56 -49.806   0.114   0.639
  484   1HZ   LYS  56           HZ1      LYS  56 -51.161  -1.641   1.563
  485   2HZ   LYS  56           HZ2      LYS  56 -51.203  -0.271   2.564
  486   3HZ   LYS  56           HZ3      LYS  56 -50.264  -1.616   3.004
  487    H    LYS  57           HN       LYS  57 -48.179   1.600   7.756
  488    HA   LYS  57           HA       LYS  57 -50.584   0.691   9.149
  489   1HB   LYS  57           HB1      LYS  57 -49.051  -1.073  10.339
  490   2HB   LYS  57           HB2      LYS  57 -47.982  -0.862   8.958
  491   1HG   LYS  57           HG1      LYS  57 -49.763  -1.517   7.421
  492   2HG   LYS  57           HG2      LYS  57 -50.921  -1.594   8.744
  493   1HD   LYS  57           HD1      LYS  57 -49.469  -3.360   9.814
  494   2HD   LYS  57           HD2      LYS  57 -48.479  -3.356   8.360
  495   1HE   LYS  57           HE1      LYS  57 -50.836  -3.672   7.164
  496   2HE   LYS  57           HE2      LYS  57 -51.294  -4.318   8.735
  497   1HZ   LYS  57           HZ1      LYS  57 -50.347  -5.901   6.986
  498   2HZ   LYS  57           HZ2      LYS  57 -49.769  -6.023   8.578
  499   3HZ   LYS  57                 LYS  57 -48.838  -5.238   7.394
   
  Start of MODEL          29
 Raw file had 499 H/Q atoms
  Start of MODEL   29
    1   1H    LYS   1           HT1      LYS   1  -8.162  -2.513 -10.833
    2   2H    LYS   1           HT2      LYS   1  -7.415  -3.768  -9.966
    3   3H    LYS   1           HT3      LYS   1  -8.243  -2.539  -9.137
    4    HA   LYS   1           HA       LYS   1  -9.859  -3.890 -11.090
    5   1HB   LYS   1           HB1      LYS   1  -9.049  -5.394  -8.558
    6   2HB   LYS   1           HB2      LYS   1  -8.332  -5.739 -10.129
    7   1HG   LYS   1           HG1      LYS   1 -10.566  -6.227 -11.055
    8   2HG   LYS   1           HG2      LYS   1 -11.303  -5.845  -9.503
    9   1HD   LYS   1           HD1      LYS   1 -10.817  -7.897  -8.682
   10   2HD   LYS   1           HD2      LYS   1  -9.137  -7.769  -9.192
   11   1HE   LYS   1           HE1      LYS   1 -10.299  -9.652 -10.327
   12   2HE   LYS   1           HE2      LYS   1  -9.757  -8.436 -11.476
   13   1HZ   LYS   1           HZ1      LYS   1 -11.870  -7.728 -11.876
   14   2HZ   LYS   1           HZ2      LYS   1 -12.459  -8.222 -10.361
   15   3HZ   LYS   1           HZ3      LYS   1 -12.163  -9.373 -11.575
   16    OH   TYR   2           OH       TYR   2  -7.467   2.574  -8.440
   17    H    TYR   2           HN       TYR   2 -11.001  -1.948 -10.505
   18    HA   TYR   2           HA       TYR   2 -11.940  -1.725  -7.721
   19   1HB   TYR   2           HB1      TYR   2 -13.144   0.281  -8.600
   20   2HB   TYR   2           HB2      TYR   2 -12.656  -0.148 -10.236
   21    HD1  TYR   2           HD2      TYR   2 -11.330   0.792  -6.891
   22    HD2  TYR   2           HD1      TYR   2 -10.489   0.435 -11.044
   23    HE1  TYR   2           HE2      TYR   2  -9.221   2.001  -6.569
   24    HE2  TYR   2           HE1      TYR   2  -8.376   1.634 -10.720
   25    HH   TYR   2           HH       TYR   2  -7.087   2.288  -7.607
   26    H    ILE   3           HN       ILE   3 -12.744  -4.115  -8.603
   27    HA   ILE   3           HA       ILE   3 -15.643  -3.743  -9.233
   28    HB   ILE   3           HB       ILE   3 -13.990  -6.262  -9.682
   29   1HG1  ILE   3          HG11      ILE   3 -12.964  -4.508 -11.014
   30   2HG1  ILE   3          HG12      ILE   3 -14.535  -3.953 -11.579
   31   1HG2  ILE   3          HG21      ILE   3 -16.631  -6.137  -9.625
   32   2HG2  ILE   3          HG22      ILE   3 -15.874  -6.966 -10.981
   33   3HG2  ILE   3          HG23      ILE   3 -16.469  -5.321 -11.178
   34   1HD1  ILE   3           HD1      ILE   3 -14.836  -5.801 -12.973
   35   2HD1  ILE   3           HD2      ILE   3 -13.768  -6.823 -12.018
   36   3HD1  ILE   3           HD3      ILE   3 -13.091  -5.591 -13.077
   37    H    CYS   4           HN       CYS   4 -16.792  -3.959  -7.391
   38    HA   CYS   4           HA       CYS   4 -15.848  -5.199  -5.044
   39   1HB   CYS   4           HB1      CYS   4 -18.662  -4.777  -6.065
   40   2HB   CYS   4           HB2      CYS   4 -17.796  -3.782  -4.929
   41    H    GLU   5           HN       GLU   5 -15.344  -7.206  -4.691
   42    HA   GLU   5           HA       GLU   5 -15.942  -9.345  -6.454
   43   1HB   GLU   5           HB1      GLU   5 -15.220 -10.734  -4.332
   44   2HB   GLU   5           HB2      GLU   5 -14.897  -9.158  -3.617
   45   1HG   GLU   5           HG1      GLU   5 -12.835  -9.874  -4.633
   46   2HG   GLU   5           HG2      GLU   5 -13.504  -8.638  -5.695
   47    H    GLU   6           HN       GLU   6 -17.831  -7.957  -3.937
   48    HA   GLU   6           HA       GLU   6 -19.424 -10.387  -3.604
   49   1HB   GLU   6           HB1      GLU   6 -19.972  -7.606  -2.486
   50   2HB   GLU   6           HB2      GLU   6 -18.907  -8.759  -1.696
   51   1HG   GLU   6           HG1      GLU   6 -20.720  -9.698  -0.716
   52   2HG   GLU   6           HG2      GLU   6 -21.318 -10.154  -2.308
   53    H    CYS   7           HN       CYS   7 -20.374  -7.012  -4.276
   54    HA   CYS   7           HA       CYS   7 -22.808  -7.912  -5.590
   55   1HB   CYS   7           HB1      CYS   7 -23.262  -5.598  -5.941
   56   2HB   CYS   7           HB2      CYS   7 -21.577  -5.171  -5.902
   57    H    GLY   8           HN       GLY   8 -19.807  -6.379  -6.703
   58   1HA   GLY   8           HA1      GLY   8 -20.347  -7.506  -9.417
   59   2HA   GLY   8           HA2      GLY   8 -18.744  -7.152  -8.785
   60    H    ILE   9           HN       ILE   9 -20.132  -4.610  -7.625
   61    HA   ILE   9           HA       ILE   9 -20.947  -2.992  -9.791
   62    HB   ILE   9           HB       ILE   9 -21.046  -2.534  -7.217
   63   1HG1  ILE   9          HG11      ILE   9 -20.606  -0.627  -9.456
   64   2HG1  ILE   9          HG12      ILE   9 -20.504   0.045  -7.833
   65   1HG2  ILE   9          HG21      ILE   9 -18.436  -2.721  -7.098
   66   2HG2  ILE   9          HG22      ILE   9 -19.167  -1.373  -6.248
   67   3HG2  ILE   9          HG23      ILE   9 -18.405  -1.114  -7.810
   68   1HD1  ILE   9           HD1      ILE   9 -22.844  -0.008  -8.919
   69   2HD1  ILE   9           HD2      ILE   9 -22.716  -0.660  -7.288
   70   3HD1  ILE   9           HD3      ILE   9 -22.792  -1.751  -8.669
   71    NH1  ARG  10           NH1      ARG  10 -17.632  -5.821 -15.385
   72    NH2  ARG  10           NH2      ARG  10 -18.256  -4.971 -17.412
   73    H    ARG  10           HN       ARG  10 -19.872  -2.155 -11.445
   74    HA   ARG  10           HA       ARG  10 -16.903  -2.312 -11.410
   75   1HB   ARG  10           HB1      ARG  10 -18.844  -1.787 -13.712
   76   2HB   ARG  10           HB2      ARG  10 -18.206  -3.371 -13.293
   77   1HG   ARG  10           HG1      ARG  10 -15.900  -1.874 -13.460
   78   2HG   ARG  10           HG2      ARG  10 -16.897  -1.128 -14.702
   79   1HD   ARG  10           HD1      ARG  10 -16.093  -4.040 -14.474
   80   2HD   ARG  10           HD2      ARG  10 -15.752  -2.924 -15.796
   81    HE   ARG  10           HE       ARG  10 -18.483  -2.956 -15.789
   82   1HH1  ARG  10          HH11      ARG  10 -17.346  -5.660 -14.440
   83   2HH1  ARG  10          HH12      ARG  10 -17.728  -6.757 -15.727
   84   1HH2  ARG  10          HH21      ARG  10 -18.438  -4.172 -17.986
   85   2HH2  ARG  10          HH22      ARG  10 -18.362  -5.891 -17.787
   86    H    ABA  11           HN       ABU  11 -16.178  -0.473 -10.441
   87    HA   ABA  11           HA       ABU  11 -17.144   2.131 -11.581
   88   1HB   ABA  11           HB1      ABU  11 -16.387   3.127  -9.443
   89   2HB   ABA  11           HB2      ABU  11 -15.807   1.570  -8.895
   90   1HG   ABA  11           HG1      ABU  11 -17.965   1.819  -7.898
   91   2HG   ABA  11           HG2      ABU  11 -18.210   0.724  -9.254
   92   3HG   ABA  11           HG3      ABU  11 -18.668   2.417  -9.398
   93    H    LYS  12           HN       LYS  12 -15.775   2.699 -13.117
   94    HA   LYS  12           HA       LYS  12 -13.050   1.947 -13.284
   95   1HB   LYS  12           HB1      LYS  12 -12.998   3.986 -14.916
   96   2HB   LYS  12           HB2      LYS  12 -14.710   4.150 -14.548
   97   1HG   LYS  12           HG1      LYS  12 -14.857   2.713 -16.359
   98   2HG   LYS  12           HG2      LYS  12 -14.699   1.527 -15.068
   99   1HD   LYS  12           HD1      LYS  12 -13.021   0.792 -16.499
  100   2HD   LYS  12           HD2      LYS  12 -12.098   1.906 -15.498
  101   1HE   LYS  12           HE1      LYS  12 -12.752   3.712 -17.232
  102   2HE   LYS  12           HE2      LYS  12 -13.219   2.370 -18.268
  103   1HZ   LYS  12           HZ1      LYS  12 -11.109   2.255 -18.864
  104   2HZ   LYS  12           HZ2      LYS  12 -10.741   1.702 -17.301
  105   3HZ   LYS  12           HZ3      LYS  12 -10.627   3.357 -17.665
  106    H    LYS  13           HN       LYS  13 -14.171   3.687 -10.839
  107    HA   LYS  13           HA       LYS  13 -11.637   5.199 -10.642
  108   1HB   LYS  13           HB1      LYS  13 -13.149   7.090  -9.585
  109   2HB   LYS  13           HB2      LYS  13 -14.452   6.286 -10.461
  110   1HG   LYS  13           HG1      LYS  13 -13.138   6.496 -12.565
  111   2HG   LYS  13           HG2      LYS  13 -11.877   7.349 -11.680
  112   1HD   LYS  13           HD1      LYS  13 -13.467   9.124 -11.077
  113   2HD   LYS  13           HD2      LYS  13 -14.769   8.258 -11.886
  114   1HE   LYS  13           HE1      LYS  13 -13.535   8.424 -14.033
  115   2HE   LYS  13           HE2      LYS  13 -12.253   9.314 -13.219
  116   1HZ   LYS  13           HZ1      LYS  13 -14.998  10.162 -13.832
  117   2HZ   LYS  13           HZ2      LYS  13 -13.534  10.985 -14.082
  118   3HZ   LYS  13           HZ3      LYS  13 -14.180  10.859 -12.516
  119    HA   PRO  14           HA       PRO  14 -11.594   3.678  -6.479
  120   1HB   PRO  14           HB1      PRO  14  -9.570   4.591  -5.850
  121   2HB   PRO  14           HB2      PRO  14 -10.449   5.992  -5.239
  122   1HG   PRO  14           HG1      PRO  14  -8.660   5.987  -7.435
  123   2HG   PRO  14           HG2      PRO  14  -9.779   7.287  -7.017
  124   1HD   PRO  14           HD1      PRO  14 -10.887   6.834  -8.974
  125   2HD   PRO  14           HD2      PRO  14  -9.930   5.359  -9.213
  126    H    SER  15           HN       SER  15 -11.973   7.195  -6.059
  127    HA   SER  15           HA       SER  15 -13.516   7.430  -3.864
  128   1HB   SER  15           HB1      SER  15 -13.018   9.350  -5.411
  129   2HB   SER  15           HB2      SER  15 -14.745   9.333  -5.006
  130    HG   SER  15           HG1      SER  15 -13.589   9.012  -7.395
  131    H    MET  16           HN       MET  16 -14.862   6.460  -7.001
  132    HA   MET  16           HA       MET  16 -17.539   6.154  -6.007
  133   1HB   MET  16           HB1      MET  16 -17.646   4.585  -8.127
  134   2HB   MET  16           HB2      MET  16 -16.006   5.155  -8.422
  135   1HG   MET  16           HG1      MET  16 -17.415   6.636  -9.613
  136   2HG   MET  16           HG2      MET  16 -16.872   7.502  -8.201
  137   1HE   MET  16           HE1      MET  16 -19.369   7.632 -10.477
  138   2HE   MET  16           HE2      MET  16 -20.935   7.175  -9.807
  139   3HE   MET  16           HE3      MET  16 -19.732   5.936 -10.161
  140    H    LEU  17           HN       LEU  17 -14.917   3.797  -6.603
  141    HA   LEU  17           HA       LEU  17 -16.449   1.593  -5.532
  142   1HB   LEU  17           HB1      LEU  17 -13.411   1.737  -5.618
  143   2HB   LEU  17           HB2      LEU  17 -14.332   1.576  -7.095
  144    HG   LEU  17           HG       LEU  17 -13.530  -0.630  -6.178
  145   1HD1  LEU  17          HD11      LEU  17 -15.572  -0.262  -3.981
  146   2HD1  LEU  17          HD12      LEU  17 -13.868   0.108  -3.755
  147   3HD1  LEU  17          HD13      LEU  17 -14.369  -1.528  -4.152
  148   1HD2  LEU  17          HD21      LEU  17 -15.460  -1.820  -6.751
  149   2HD2  LEU  17          HD22      LEU  17 -15.756  -0.269  -7.513
  150   3HD2  LEU  17          HD23      LEU  17 -16.541  -0.660  -5.996
  151    H    LYS  18           HN       LYS  18 -13.573   3.301  -4.303
  152    HA   LYS  18           HA       LYS  18 -13.213   2.346  -1.803
  153   1HB   LYS  18           HB1      LYS  18 -12.789   4.774  -1.066
  154   2HB   LYS  18           HB2      LYS  18 -13.422   5.279  -2.629
  155   1HG   LYS  18           HG1      LYS  18 -11.676   4.099  -3.803
  156   2HG   LYS  18           HG2      LYS  18 -11.137   3.313  -2.326
  157   1HD   LYS  18           HD1      LYS  18 -10.621   5.602  -1.387
  158   2HD   LYS  18           HD2      LYS  18 -10.977   6.272  -2.974
  159   1HE   LYS  18           HE1      LYS  18  -8.796   5.877  -3.459
  160   2HE   LYS  18           HE2      LYS  18  -9.248   4.180  -3.555
  161   1HZ   LYS  18           HZ1      LYS  18  -8.875   4.905  -0.862
  162   2HZ   LYS  18           HZ2      LYS  18  -7.510   5.371  -1.759
  163   3HZ   LYS  18           HZ3      LYS  18  -8.031   3.755  -1.785
  164    H    LYS  19           HN       LYS  19 -15.822   4.593  -2.655
  165    HA   LYS  19           HA       LYS  19 -16.876   4.636   0.021
  166   1HB   LYS  19           HB1      LYS  19 -18.392   5.240  -2.553
  167   2HB   LYS  19           HB2      LYS  19 -17.249   6.383  -1.856
  168   1HG   LYS  19           HG1      LYS  19 -18.560   6.248   0.305
  169   2HG   LYS  19           HG2      LYS  19 -19.765   5.294  -0.553
  170   1HD   LYS  19           HD1      LYS  19 -18.880   8.104  -1.297
  171   2HD   LYS  19           HD2      LYS  19 -20.400   7.685  -0.518
  172   1HE   LYS  19           HE1      LYS  19 -20.609   6.039  -2.608
  173   2HE   LYS  19           HE2      LYS  19 -19.525   7.213  -3.343
  174   1HZ   LYS  19           HZ1      LYS  19 -22.256   7.612  -2.317
  175   2HZ   LYS  19           HZ2      LYS  19 -21.609   8.027  -3.831
  176   3HZ   LYS  19           HZ3      LYS  19 -21.187   8.925  -2.452
  177    H    HIS  20           HN       HIS  20 -17.689   2.934  -2.960
  178    HA   HIS  20           HA       HIS  20 -20.024   1.615  -2.067
  179   1HB   HIS  20           HB1      HIS  20 -17.833   0.648  -3.959
  180   2HB   HIS  20           HB2      HIS  20 -19.260   1.563  -4.439
  181    HD1  HIS  20           HD1      HIS  20 -21.159   0.063  -5.045
  182    HD2  HIS  20           HD2      HIS  20 -18.473  -1.915  -2.723
  183    HE1  HIS  20           HE1      HIS  20 -21.998  -2.232  -4.887
  184    H    ILE  21           HN       ILE  21 -16.673   0.402  -2.124
  185    HA   ILE  21           HA       ILE  21 -17.235  -2.020  -0.771
  186    HB   ILE  21           HB       ILE  21 -15.080  -1.550  -1.920
  187   1HG1  ILE  21          HG11      ILE  21 -15.150  -2.506   0.904
  188   2HG1  ILE  21          HG12      ILE  21 -13.567  -2.131   0.248
  189   1HG2  ILE  21          HG21      ILE  21 -13.416  -0.064  -0.809
  190   2HG2  ILE  21          HG22      ILE  21 -14.579   0.308   0.457
  191   3HG2  ILE  21          HG23      ILE  21 -14.881   0.818  -1.197
  192   1HD1  ILE  21           HD1      ILE  21 -14.452  -4.524  -0.121
  193   2HD1  ILE  21           HD2      ILE  21 -13.821  -3.682  -1.533
  194   3HD1  ILE  21           HD3      ILE  21 -15.559  -3.805  -1.285
  195    NH1  ARG  22           NH1      ARG  22 -15.546   6.683   2.831
  196    NH2  ARG  22           NH2      ARG  22 -14.469   6.665   0.816
  197    H    ARG  22           HN       ARG  22 -16.697   1.229   0.466
  198    HA   ARG  22           HA       ARG  22 -16.480   0.356   3.241
  199   1HB   ARG  22           HB1      ARG  22 -17.088   2.902   3.584
  200   2HB   ARG  22           HB2      ARG  22 -16.934   3.012   1.835
  201   1HG   ARG  22           HG1      ARG  22 -14.645   2.095   1.971
  202   2HG   ARG  22           HG2      ARG  22 -14.799   1.952   3.717
  203   1HD   ARG  22           HD1      ARG  22 -13.596   4.029   3.112
  204   2HD   ARG  22           HD2      ARG  22 -15.137   4.407   3.880
  205    HE   ARG  22           HE       ARG  22 -15.394   4.269   0.997
  206   1HH1  ARG  22          HH11      ARG  22 -15.970   6.174   3.580
  207   2HH1  ARG  22          HH12      ARG  22 -15.516   7.681   2.861
  208   1HH2  ARG  22          HH21      ARG  22 -14.086   6.144   0.054
  209   2HH2  ARG  22          HH22      ARG  22 -14.421   7.664   0.812
  210    H    THR  23           HN       THR  23 -19.101   0.756   1.077
  211    HA   THR  23           HA       THR  23 -21.055   1.401   3.118
  212    HB   THR  23           HB       THR  23 -21.604   0.067   0.397
  213    HG1  THR  23           HG1      THR  23 -20.549   1.800  -0.223
  214   1HG2  THR  23          HG21      THR  23 -23.175   1.715   2.418
  215   2HG2  THR  23          HG22      THR  23 -23.755   0.422   1.379
  216   3HG2  THR  23          HG23      THR  23 -23.477   2.028   0.714
  217    H    HIS  24           HN       HIS  24 -19.536  -1.525   2.059
  218    HA   HIS  24           HA       HIS  24 -21.662  -3.300   2.974
  219   1HB   HIS  24           HB1      HIS  24 -19.626  -4.978   3.009
  220   2HB   HIS  24           HB2      HIS  24 -18.711  -3.652   2.301
  221    HD1  HIS  24           HD1      HIS  24 -21.872  -5.535   1.514
  222    HD2  HIS  24           HD2      HIS  24 -18.939  -3.466  -0.409
  223    HE1  HIS  24           HE1      HIS  24 -22.340  -5.797  -0.900
  224    H    THR  25           HN       THR  25 -19.996  -1.146   4.654
  225    HA   THR  25           HA       THR  25 -19.267  -2.873   6.934
  226    HB   THR  25           HB       THR  25 -18.470  -0.632   7.861
  227    HG1  THR  25           HG1      THR  25 -19.900   0.095   5.575
  228   1HG2  THR  25          HG21      THR  25 -16.864  -0.045   6.007
  229   2HG2  THR  25          HG22      THR  25 -17.793  -1.057   4.905
  230   3HG2  THR  25          HG23      THR  25 -16.912  -1.790   6.242
  231    H    ASP  26           HN       ASP  26 -20.235   0.123   7.917
  232    HA   ASP  26           HA       ASP  26 -23.046  -0.588   8.415
  233   1HB   ASP  26           HB1      ASP  26 -22.616   0.002  10.924
  234   2HB   ASP  26           HB2      ASP  26 -20.908  -0.248  10.567
  235    H    VAL  27           HN       VAL  27 -21.515   1.323   6.929
  236    HA   VAL  27           HA       VAL  27 -21.937   3.868   8.359
  237    HB   VAL  27           HB       VAL  27 -19.885   3.565   7.028
  238   1HG1  VAL  27          HG11      VAL  27 -20.843   1.910   5.429
  239   2HG1  VAL  27          HG12      VAL  27 -19.968   3.192   4.611
  240   3HG1  VAL  27          HG13      VAL  27 -21.725   3.205   4.644
  241   1HG2  VAL  27          HG21      VAL  27 -21.167   5.411   5.156
  242   2HG2  VAL  27          HG22      VAL  27 -19.925   5.730   6.360
  243   3HG2  VAL  27          HG23      VAL  27 -21.623   5.737   6.824
  244    NH1  ARG  28           NH1      ARG  28 -25.545  -2.503   4.463
  245    NH2  ARG  28           NH2      ARG  28 -25.506  -2.111   2.212
  246    H    ARG  28           HN       ARG  28 -24.307   2.605   7.989
  247    HA   ARG  28           HA       ARG  28 -25.641   4.119   5.776
  248   1HB   ARG  28           HB1      ARG  28 -27.463   2.316   6.191
  249   2HB   ARG  28           HB2      ARG  28 -26.249   1.479   7.153
  250   1HG   ARG  28           HG1      ARG  28 -24.741   1.832   5.018
  251   2HG   ARG  28           HG2      ARG  28 -26.283   2.009   4.196
  252   1HD   ARG  28           HD1      ARG  28 -26.937  -0.186   5.458
  253   2HD   ARG  28           HD2      ARG  28 -25.198  -0.390   5.660
  254    HE   ARG  28           HE       ARG  28 -25.966   0.190   2.905
  255   1HH1  ARG  28          HH11      ARG  28 -25.650  -2.150   5.392
  256   2HH1  ARG  28          HH12      ARG  28 -25.371  -3.477   4.315
  257   1HH2  ARG  28          HH21      ARG  28 -25.582  -1.463   1.454
  258   2HH2  ARG  28          HH22      ARG  28 -25.332  -3.078   2.028
  259    HA   PRO  29           HA       PRO  29 -27.045   5.938   9.830
  260   1HB   PRO  29           HB1      PRO  29 -26.329   8.106   9.643
  261   2HB   PRO  29           HB2      PRO  29 -27.551   8.420   8.411
  262   1HG   PRO  29           HG1      PRO  29 -24.689   8.077   8.042
  263   2HG   PRO  29           HG2      PRO  29 -25.900   8.474   6.822
  264   1HD   PRO  29           HD1      PRO  29 -25.828   6.353   6.005
  265   2HD   PRO  29           HD2      PRO  29 -24.527   5.985   7.147
  266    OH   TYR  30           OH       TYR  30 -28.777  11.076   3.988
  267    H    TYR  30           HN       TYR  30 -28.474   5.606   6.721
  268    HA   TYR  30           HA       TYR  30 -31.086   6.628   7.635
  269   1HB   TYR  30           HB1      TYR  30 -31.825   5.928   5.332
  270   2HB   TYR  30           HB2      TYR  30 -30.243   5.214   5.056
  271    HD1  TYR  30           HD1      TYR  30 -31.745   8.457   6.183
  272    HD2  TYR  30           HD2      TYR  30 -28.617   6.552   4.021
  273    HE1  TYR  30           HE1      TYR  30 -30.883  10.648   5.501
  274    HE2  TYR  30           HE2      TYR  30 -27.755   8.743   3.341
  275    HH   TYR  30           HH       TYR  30 -28.185  11.390   4.674
  276    H    HIS  31           HN       HIS  31 -31.494   5.196   9.373
  277    HA   HIS  31           HA       HIS  31 -31.940   2.339   8.636
  278   1HB   HIS  31           HB1      HIS  31 -31.963   1.928  11.062
  279   2HB   HIS  31           HB2      HIS  31 -31.996   3.659  11.391
  280    HD1  HIS  31           HD1      HIS  31 -29.701   1.036  10.288
  281    HD2  HIS  31           HD2      HIS  31 -29.540   5.001  11.123
  282    HE1  HIS  31           HE1      HIS  31 -27.333   1.560  10.369
  283    H    CYS  32           HN       CYS  32 -33.966   1.579   8.366
  284    HA   CYS  32           HA       CYS  32 -36.235   3.253   8.358
  285   1HB   CYS  32           HB1      CYS  32 -35.861   0.254   8.639
  286   2HB   CYS  32           HB2      CYS  32 -36.453   1.143   7.258
  287    H    THR  33           HN       THR  33 -37.901   3.609   9.853
  288    HA   THR  33           HA       THR  33 -37.017   3.538  12.635
  289    HB   THR  33           HB       THR  33 -39.840   4.278  11.727
  290    HG1  THR  33           HG1      THR  33 -38.672   6.377  11.420
  291   1HG2  THR  33          HG21      THR  33 -39.169   4.492  14.179
  292   2HG2  THR  33          HG22      THR  33 -39.475   6.065  13.448
  293   3HG2  THR  33          HG23      THR  33 -37.820   5.512  13.685
  294    OH   TYR  34           OH       TYR  34 -43.889   4.027  11.680
  295    H    TYR  34           HN       TYR  34 -37.903   1.075  10.927
  296    HA   TYR  34           HA       TYR  34 -39.377  -0.194  13.183
  297   1HB   TYR  34           HB1      TYR  34 -40.903  -1.323  11.584
  298   2HB   TYR  34           HB2      TYR  34 -40.092  -0.554  10.227
  299    HD1  TYR  34           HD2      TYR  34 -40.164   2.013  10.089
  300    HD2  TYR  34           HD1      TYR  34 -42.659  -0.203  12.724
  301    HE1  TYR  34           HE2      TYR  34 -41.685   3.926  10.256
  302    HE2  TYR  34           HE1      TYR  34 -44.182   1.713  12.887
  303    HH   TYR  34           HH       TYR  34 -44.744   3.703  11.973
  304    H    CYS  35           HN       CYS  35 -38.252  -1.109   9.940
  305    HA   CYS  35           HA       CYS  35 -37.328  -3.695  10.807
  306   1HB   CYS  35           HB1      CYS  35 -36.434  -3.884   8.567
  307   2HB   CYS  35           HB2      CYS  35 -36.378  -2.156   8.373
  308    H    ASN  36           HN       ASN  36 -34.984  -4.303  10.132
  309    HA   ASN  36           HA       ASN  36 -33.180  -2.452  11.626
  310   1HB   ASN  36           HB1      ASN  36 -32.690  -5.378  10.892
  311   2HB   ASN  36           HB2      ASN  36 -33.519  -4.905  12.373
  312   1HD2  ASN  36          HD21      ASN  36 -32.258  -3.977  14.081
  313   2HD2  ASN  36          HD22      ASN  36 -30.564  -3.884  14.023
  314    H    PHE  37           HN       PHE  37 -34.057  -2.802   8.617
  315    HA   PHE  37           HA       PHE  37 -31.437  -3.163   7.341
  316   1HB   PHE  37           HB1      PHE  37 -33.834  -2.070   5.884
  317   2HB   PHE  37           HB2      PHE  37 -33.939  -3.720   6.488
  318    HD1  PHE  37           HD2      PHE  37 -31.779  -5.211   5.984
  319    HD2  PHE  37           HD1      PHE  37 -32.877  -1.740   3.779
  320    HE1  PHE  37           HE2      PHE  37 -30.435  -5.992   4.083
  321    HE2  PHE  37           HE1      PHE  37 -31.534  -2.525   1.878
  322    HZ   PHE  37           HZ       PHE  37 -30.311  -4.650   2.029
  323    H    SER  38           HN       SER  38 -30.201  -1.560   6.445
  324    HA   SER  38           HA       SER  38 -31.207   1.226   6.752
  325   1HB   SER  38           HB1      SER  38 -28.323   0.458   7.322
  326   2HB   SER  38           HB2      SER  38 -29.543   0.423   8.599
  327    HG   SER  38           HG1      SER  38 -30.091   2.572   8.010
  328    H    PHE  39           HN       PHE  39 -30.347   2.743   5.354
  329    HA   PHE  39           HA       PHE  39 -28.974   1.573   2.970
  330   1HB   PHE  39           HB1      PHE  39 -30.322   3.009   1.601
  331   2HB   PHE  39           HB2      PHE  39 -30.774   4.021   2.969
  332    HD1  PHE  39           HD2      PHE  39 -32.339   3.118   4.710
  333    HD2  PHE  39           HD1      PHE  39 -31.512   0.946   1.142
  334    HE1  PHE  39           HE2      PHE  39 -34.309   1.710   5.109
  335    HE2  PHE  39           HE1      PHE  39 -33.505  -0.439   1.532
  336    HZ   PHE  39           HZ       PHE  39 -34.908  -0.050   3.510
  337    H    LYS  40           HN       LYS  40 -27.650   3.059   1.764
  338    HA   LYS  40           HA       LYS  40 -26.094   4.780   3.578
  339   1HB   LYS  40           HB1      LYS  40 -25.724   3.824   0.705
  340   2HB   LYS  40           HB2      LYS  40 -24.908   3.210   2.120
  341   1HG   LYS  40           HG1      LYS  40 -24.580   5.992   0.942
  342   2HG   LYS  40           HG2      LYS  40 -23.397   4.698   0.897
  343   1HD   LYS  40           HD1      LYS  40 -23.592   4.703   3.477
  344   2HD   LYS  40           HD2      LYS  40 -24.334   6.284   3.282
  345   1HE   LYS  40           HE1      LYS  40 -21.532   5.415   2.630
  346   2HE   LYS  40           HE2      LYS  40 -22.073   6.851   3.487
  347   1HZ   LYS  40           HZ1      LYS  40 -21.550   7.758   1.497
  348   2HZ   LYS  40           HZ2      LYS  40 -23.166   7.350   1.172
  349   3HZ   LYS  40           HZ3      LYS  40 -21.910   6.352   0.616
  350    H    THR  41           HN       THR  41 -28.537   5.092   1.236
  351    HA   THR  41           HA       THR  41 -28.034   8.038   1.125
  352    HB   THR  41           HB       THR  41 -28.554   8.049  -1.236
  353    HG1  THR  41           HG1      THR  41 -30.382   6.796  -1.129
  354   1HG2  THR  41          HG21      THR  41 -27.023   6.431  -2.190
  355   2HG2  THR  41          HG22      THR  41 -27.421   5.220  -0.976
  356   3HG2  THR  41          HG23      THR  41 -26.405   6.594  -0.549
  357    H    LYS  42           HN       LYS  42 -29.905   9.332   0.788
  358    HA   LYS  42           HA       LYS  42 -32.156   8.387   2.322
  359   1HB   LYS  42           HB1      LYS  42 -31.696  10.938   0.712
  360   2HB   LYS  42           HB2      LYS  42 -31.452  10.748   2.445
  361   1HG   LYS  42           HG1      LYS  42 -33.959  10.020   2.480
  362   2HG   LYS  42           HG2      LYS  42 -34.042  10.795   0.902
  363   1HD   LYS  42           HD1      LYS  42 -32.848  12.794   2.122
  364   2HD   LYS  42           HD2      LYS  42 -33.457  12.028   3.584
  365   1HE   LYS  42           HE1      LYS  42 -35.713  11.939   2.146
  366   2HE   LYS  42           HE2      LYS  42 -34.967  13.315   1.345
  367   1HZ   LYS  42           HZ1      LYS  42 -36.289  13.257   3.798
  368   2HZ   LYS  42           HZ2      LYS  42 -35.553  14.583   3.032
  369   3HZ   LYS  42           HZ3      LYS  42 -34.659  13.621   4.110
  370    H    GLY  43           HN       GLY  43 -31.300   8.242  -0.949
  371   1HA   GLY  43           HA1      GLY  43 -32.513   7.596  -2.858
  372   2HA   GLY  43           HA2      GLY  43 -33.879   8.477  -2.178
  373    H    ASN  44           HN       ASN  44 -32.055   5.481  -1.584
  374    HA   ASN  44           HA       ASN  44 -34.144   3.689  -2.004
  375   1HB   ASN  44           HB1      ASN  44 -32.834   2.267  -0.234
  376   2HB   ASN  44           HB2      ASN  44 -31.732   3.637  -0.160
  377   1HD2  ASN  44          HD21      ASN  44 -30.282   1.744  -1.076
  378   2HD2  ASN  44          HD22      ASN  44 -30.207   1.627  -2.768
  379    H    LEU  45           HN       LEU  45 -33.643   5.823   0.672
  380    HA   LEU  45           HA       LEU  45 -35.247   4.439   2.603
  381   1HB   LEU  45           HB1      LEU  45 -35.092   7.467   2.359
  382   2HB   LEU  45           HB2      LEU  45 -33.664   6.559   2.823
  383    HG   LEU  45           HG       LEU  45 -34.922   7.381   4.803
  384   1HD1  LEU  45          HD11      LEU  45 -37.163   5.486   4.057
  385   2HD1  LEU  45          HD12      LEU  45 -37.182   7.172   3.566
  386   3HD1  LEU  45          HD13      LEU  45 -37.158   6.752   5.274
  387   1HD2  LEU  45          HD21      LEU  45 -33.777   4.945   4.504
  388   2HD2  LEU  45          HD22      LEU  45 -35.395   4.436   4.947
  389   3HD2  LEU  45          HD23      LEU  45 -34.480   5.484   6.020
  390    H    THR  46           HN       THR  46 -36.036   7.222   0.524
  391    HA   THR  46           HA       THR  46 -38.783   7.336   1.071
  392    HB   THR  46           HB       THR  46 -37.442   7.786  -1.666
  393    HG1  THR  46           HG1      THR  46 -37.888   9.494   0.569
  394   1HG2  THR  46          HG21      THR  46 -39.227   9.659  -1.679
  395   2HG2  THR  46          HG22      THR  46 -39.940   8.894  -0.263
  396   3HG2  THR  46          HG23      THR  46 -39.905   8.039  -1.801
  397    H    LYS  47           HN       LYS  47 -36.984   5.164  -1.008
  398    HA   LYS  47           HA       LYS  47 -39.285   4.062  -2.354
  399   1HB   LYS  47           HB1      LYS  47 -36.551   2.822  -1.776
  400   2HB   LYS  47           HB2      LYS  47 -36.948   3.784  -3.194
  401   1HG   LYS  47           HG1      LYS  47 -38.846   2.053  -3.579
  402   2HG   LYS  47           HG2      LYS  47 -37.965   1.042  -2.439
  403   1HD   LYS  47           HD1      LYS  47 -35.889   1.603  -3.939
  404   2HD   LYS  47           HD2      LYS  47 -37.095   2.029  -5.148
  405   1HE   LYS  47           HE1      LYS  47 -36.472  -0.324  -5.416
  406   2HE   LYS  47           HE2      LYS  47 -38.136  -0.219  -4.858
  407   1HZ   LYS  47           HZ1      LYS  47 -35.821  -0.621  -3.054
  408   2HZ   LYS  47           HZ2      LYS  47 -36.761  -1.888  -3.683
  409   3HZ   LYS  47           HZ3      LYS  47 -37.468  -0.736  -2.657
  410    H    HIS  48           HN       HIS  48 -37.421   2.996   0.490
  411    HA   HIS  48           HA       HIS  48 -39.060   0.661   0.928
  412   1HB   HIS  48           HB1      HIS  48 -37.293   2.258   2.857
  413   2HB   HIS  48           HB2      HIS  48 -36.793   0.854   1.921
  414    HD1  HIS  48           HD1      HIS  48 -38.697  -1.194   2.463
  415    HD2  HIS  48           HD2      HIS  48 -37.891   1.494   5.438
  416    HE1  HIS  48           HE1      HIS  48 -39.398  -2.289   4.533
  417    H    MET  49           HN       MET  49 -39.477   3.999   1.598
  418    HA   MET  49           HA       MET  49 -41.570   3.444   3.627
  419   1HB   MET  49           HB1      MET  49 -41.670   6.078   3.515
  420   2HB   MET  49           HB2      MET  49 -40.176   5.937   2.594
  421   1HG   MET  49           HG1      MET  49 -39.522   6.192   4.863
  422   2HG   MET  49           HG2      MET  49 -39.261   4.517   4.456
  423   1HE   MET  49           HE1      MET  49 -40.275   6.698   7.330
  424   2HE   MET  49           HE2      MET  49 -38.926   5.595   7.055
  425   3HE   MET  49           HE3      MET  49 -40.127   5.229   8.294
  426    H    LYS  50           HN       LYS  50 -41.195   4.472   0.309
  427    HA   LYS  50           HA       LYS  50 -43.720   5.612  -0.177
  428   1HB   LYS  50           HB1      LYS  50 -42.203   3.694  -2.015
  429   2HB   LYS  50           HB2      LYS  50 -41.826   5.405  -1.851
  430   1HG   LYS  50           HG1      LYS  50 -44.199   5.924  -2.521
  431   2HG   LYS  50           HG2      LYS  50 -44.436   4.210  -2.839
  432   1HD   LYS  50           HD1      LYS  50 -42.763   4.213  -4.570
  433   2HD   LYS  50           HD2      LYS  50 -42.217   5.825  -4.126
  434   1HE   LYS  50           HE1      LYS  50 -44.507   6.693  -4.716
  435   2HE   LYS  50           HE2      LYS  50 -44.916   5.087  -5.304
  436   1HZ   LYS  50           HZ1      LYS  50 -43.703   5.356  -7.143
  437   2HZ   LYS  50           HZ2      LYS  50 -42.450   6.177  -6.344
  438   3HZ   LYS  50           HZ3      LYS  50 -43.852   7.015  -6.809
  439    H    SER  51           HN       SER  51 -42.774   2.201  -0.148
  440    HA   SER  51           HA       SER  51 -45.304   1.158  -0.952
  441   1HB   SER  51           HB1      SER  51 -43.246  -0.116   0.937
  442   2HB   SER  51           HB2      SER  51 -43.162  -0.189  -0.834
  443    HG   SER  51           HG1      SER  51 -44.369  -1.920   0.422
  444    H    LYS  52           HN       LYS  52 -46.954   0.198   0.319
  445    HA   LYS  52           HA       LYS  52 -47.612   1.763   2.676
  446   1HB   LYS  52           HB1      LYS  52 -49.375   0.961   1.126
  447   2HB   LYS  52           HB2      LYS  52 -49.644   0.271   2.723
  448   1HG   LYS  52           HG1      LYS  52 -48.593  -1.825   2.045
  449   2HG   LYS  52           HG2      LYS  52 -48.156  -1.140   0.484
  450   1HD   LYS  52           HD1      LYS  52 -51.029  -0.945   1.196
  451   2HD   LYS  52           HD2      LYS  52 -50.433  -2.576   0.908
  452   1HE   LYS  52           HE1      LYS  52 -51.255  -1.505  -1.184
  453   2HE   LYS  52           HE2      LYS  52 -49.542  -1.892  -1.275
  454   1HZ   LYS  52           HZ1      LYS  52 -50.516   0.770  -0.437
  455   2HZ   LYS  52           HZ2      LYS  52 -50.223   0.379  -2.064
  456   3HZ   LYS  52           HZ3      LYS  52 -48.954   0.332  -0.936
  457    H    ALA  53           HN       ALA  53 -45.215  -0.010   2.758
  458    HA   ALA  53           HA       ALA  53 -45.603  -2.311   4.324
  459   1HB   ALA  53           HB1      ALA  53 -43.382  -1.709   3.466
  460   2HB   ALA  53           HB2      ALA  53 -43.273  -1.778   5.222
  461   3HB   ALA  53           HB3      ALA  53 -43.374  -0.221   4.407
  462    H    HIS  54           HN       HIS  54 -44.013   0.273   6.036
  463    HA   HIS  54           HA       HIS  54 -46.267   0.481   7.940
  464   1HB   HIS  54           HB1      HIS  54 -45.146  -1.252   9.065
  465   2HB   HIS  54           HB2      HIS  54 -44.347   0.147   9.771
  466    HD1  HIS  54           HD1      HIS  54 -43.620  -2.802   7.858
  467    HD2  HIS  54           HD2      HIS  54 -41.736   0.772   8.481
  468    HE1  HIS  54           HE1      HIS  54 -41.278  -3.171   7.226
  469    H    SER  55           HN       SER  55 -46.345   2.646   7.182
  470    HA   SER  55           HA       SER  55 -44.403   4.369   8.608
  471   1HB   SER  55           HB1      SER  55 -45.111   4.901   5.678
  472   2HB   SER  55           HB2      SER  55 -43.647   4.019   6.153
  473    HG   SER  55           HG1      SER  55 -42.863   5.773   7.088
  474    H    LYS  56           HN       LYS  56 -46.483   4.463   9.849
  475    HA   LYS  56           HA       LYS  56 -48.699   5.926   8.640
  476   1HB   LYS  56           HB1      LYS  56 -49.494   5.989  11.081
  477   2HB   LYS  56           HB2      LYS  56 -48.012   5.141  11.510
  478   1HG   LYS  56           HG1      LYS  56 -48.769   3.485   9.588
  479   2HG   LYS  56           HG2      LYS  56 -50.360   4.161   9.914
  480   1HD   LYS  56           HD1      LYS  56 -50.363   2.446  11.469
  481   2HD   LYS  56           HD2      LYS  56 -49.622   3.710  12.446
  482   1HE   LYS  56           HE1      LYS  56 -47.373   2.889  11.763
  483   2HE   LYS  56           HE2      LYS  56 -48.137   1.599  10.845
  484   1HZ   LYS  56           HZ1      LYS  56 -47.394   0.913  13.067
  485   2HZ   LYS  56           HZ2      LYS  56 -49.065   0.707  12.842
  486   3HZ   LYS  56           HZ3      LYS  56 -48.486   2.014  13.759
  487    H    LYS  57           HN       LYS  57 -47.292   6.846  11.722
  488    HA   LYS  57           HA       LYS  57 -47.703   9.597  11.373
  489   1HB   LYS  57           HB1      LYS  57 -45.618   9.639  13.081
  490   2HB   LYS  57           HB2      LYS  57 -45.926   7.906  13.119
  491   1HG   LYS  57           HG1      LYS  57 -47.991  10.067  13.655
  492   2HG   LYS  57           HG2      LYS  57 -47.207   9.084  14.885
  493   1HD   LYS  57           HD1      LYS  57 -48.103   7.037  13.678
  494   2HD   LYS  57           HD2      LYS  57 -49.051   8.129  12.676
  495   1HE   LYS  57           HE1      LYS  57 -50.361   7.286  14.617
  496   2HE   LYS  57           HE2      LYS  57 -50.166   9.033  14.669
  497   1HZ   LYS  57           HZ1      LYS  57 -48.185   7.356  16.028
  498   2HZ   LYS  57           HZ2      LYS  57 -49.702   7.578  16.758
  499   3HZ   LYS  57                 LYS  57 -48.723   8.921  16.409
   
  Start of MODEL          30
 Raw file had 499 H/Q atoms
  Start of MODEL   30
    1   1H    LYS   1           HT1      LYS   1  -9.270  -4.997  -9.399
    2   2H    LYS   1           HT2      LYS   1  -8.907  -4.916 -11.055
    3   3H    LYS   1           HT3      LYS   1 -10.490  -4.618 -10.519
    4    HA   LYS   1           HA       LYS   1  -8.176  -2.965  -9.699
    5   1HB   LYS   1           HB1      LYS   1  -8.620  -1.467 -11.493
    6   2HB   LYS   1           HB2      LYS   1 -10.228  -2.123 -11.772
    7   1HG   LYS   1           HG1      LYS   1  -8.630  -2.813 -13.551
    8   2HG   LYS   1           HG2      LYS   1  -9.251  -4.199 -12.666
    9   1HD   LYS   1           HD1      LYS   1  -7.221  -4.337 -11.336
   10   2HD   LYS   1           HD2      LYS   1  -6.629  -2.819 -12.002
   11   1HE   LYS   1           HE1      LYS   1  -7.275  -5.185 -13.771
   12   2HE   LYS   1           HE2      LYS   1  -5.691  -4.993 -13.030
   13   1HZ   LYS   1           HZ1      LYS   1  -6.752  -3.712 -15.309
   14   2HZ   LYS   1           HZ2      LYS   1  -5.170  -3.666 -14.692
   15   3HZ   LYS   1           HZ3      LYS   1  -6.326  -2.549 -14.146
   16    OH   TYR   2           OH       TYR   2  -7.816   2.597  -8.826
   17    H    TYR   2           HN       TYR   2 -11.640  -2.800 -10.535
   18    HA   TYR   2           HA       TYR   2 -12.165  -1.764  -7.808
   19   1HB   TYR   2           HB1      TYR   2 -13.443   0.158  -8.762
   20   2HB   TYR   2           HB2      TYR   2 -12.973  -0.332 -10.385
   21    HD1  TYR   2           HD2      TYR   2 -11.591   0.783  -7.106
   22    HD2  TYR   2           HD1      TYR   2 -10.860   0.306 -11.269
   23    HE1  TYR   2           HE2      TYR   2  -9.499   2.046  -6.885
   24    HE2  TYR   2           HE1      TYR   2  -8.768   1.564 -11.046
   25    HH   TYR   2           HH       TYR   2  -7.248   2.124  -8.214
   26    H    ILE   3           HN       ILE   3 -12.842  -4.246  -8.838
   27    HA   ILE   3           HA       ILE   3 -15.764  -4.006  -9.403
   28    HB   ILE   3           HB       ILE   3 -14.081  -6.531  -9.603
   29   1HG1  ILE   3          HG11      ILE   3 -14.066  -4.128 -11.336
   30   2HG1  ILE   3          HG12      ILE   3 -14.295  -5.653 -12.185
   31   1HG2  ILE   3          HG21      ILE   3 -16.639  -6.571  -9.714
   32   2HG2  ILE   3          HG22      ILE   3 -15.864  -7.185 -11.170
   33   3HG2  ILE   3          HG23      ILE   3 -16.539  -5.558 -11.151
   34   1HD1  ILE   3           HD1      ILE   3 -12.251  -6.549 -11.349
   35   2HD1  ILE   3           HD2      ILE   3 -12.119  -5.304 -10.111
   36   3HD1  ILE   3           HD3      ILE   3 -11.859  -4.893 -11.804
   37    H    CYS   4           HN       CYS   4 -16.731  -3.891  -7.405
   38    HA   CYS   4           HA       CYS   4 -15.888  -5.007  -5.012
   39   1HB   CYS   4           HB1      CYS   4 -18.625  -4.569  -6.174
   40   2HB   CYS   4           HB2      CYS   4 -17.842  -3.696  -4.890
   41    H    GLU   5           HN       GLU   5 -15.559  -6.969  -4.295
   42    HA   GLU   5           HA       GLU   5 -15.947  -9.268  -5.947
   43   1HB   GLU   5           HB1      GLU   5 -14.959 -10.494  -4.118
   44   2HB   GLU   5           HB2      GLU   5 -15.482  -9.294  -2.942
   45   1HG   GLU   5           HG1      GLU   5 -13.869  -7.721  -3.645
   46   2HG   GLU   5           HG2      GLU   5 -13.640  -8.514  -5.201
   47    H    GLU   6           HN       GLU   6 -18.071  -7.662  -3.811
   48    HA   GLU   6           HA       GLU   6 -19.663 -10.085  -3.349
   49   1HB   GLU   6           HB1      GLU   6 -20.344  -7.254  -2.479
   50   2HB   GLU   6           HB2      GLU   6 -19.221  -8.257  -1.571
   51   1HG   GLU   6           HG1      GLU   6 -21.002 -10.016  -1.402
   52   2HG   GLU   6           HG2      GLU   6 -22.120  -8.913  -2.200
   53    H    CYS   7           HN       CYS   7 -20.651  -6.791  -4.216
   54    HA   CYS   7           HA       CYS   7 -22.932  -7.804  -5.690
   55   1HB   CYS   7           HB1      CYS   7 -23.524  -5.554  -5.970
   56   2HB   CYS   7           HB2      CYS   7 -21.874  -5.016  -6.039
   57    H    GLY   8           HN       GLY   8 -19.780  -6.448  -6.591
   58   1HA   GLY   8           HA1      GLY   8 -20.228  -7.516  -9.333
   59   2HA   GLY   8           HA2      GLY   8 -18.662  -7.117  -8.644
   60    H    ILE   9           HN       ILE   9 -20.160  -4.566  -7.614
   61    HA   ILE   9           HA       ILE   9 -20.902  -3.025  -9.854
   62    HB   ILE   9           HB       ILE   9 -21.027  -2.520  -7.254
   63   1HG1  ILE   9          HG11      ILE   9 -20.708  -0.625  -9.550
   64   2HG1  ILE   9          HG12      ILE   9 -20.830   0.041  -7.926
   65   1HG2  ILE   9          HG21      ILE   9 -18.503  -0.944  -7.992
   66   2HG2  ILE   9          HG22      ILE   9 -18.433  -2.466  -7.114
   67   3HG2  ILE   9          HG23      ILE   9 -19.250  -1.087  -6.414
   68   1HD1  ILE   9           HD1      ILE   9 -22.773  -2.085  -8.792
   69   2HD1  ILE   9           HD2      ILE   9 -23.027  -0.422  -9.315
   70   3HD1  ILE   9           HD3      ILE   9 -22.986  -0.809  -7.598
   71    NH1  ARG  10           NH2      ARG  10 -17.257  -2.341 -18.123
   72    NH2  ARG  10           NH1      ARG  10 -15.219  -3.361 -18.291
   73    H    ARG  10           HN       ARG  10 -19.783  -2.187 -11.491
   74    HA   ARG  10           HA       ARG  10 -16.811  -2.333 -11.346
   75   1HB   ARG  10           HB1      ARG  10 -18.573  -1.821 -13.786
   76   2HB   ARG  10           HB2      ARG  10 -18.138  -3.438 -13.248
   77   1HG   ARG  10           HG1      ARG  10 -15.687  -2.634 -13.355
   78   2HG   ARG  10           HG2      ARG  10 -16.301  -1.250 -14.252
   79   1HD   ARG  10           HD1      ARG  10 -17.551  -3.327 -15.544
   80   2HD   ARG  10           HD2      ARG  10 -16.013  -4.066 -15.103
   81    HE   ARG  10           HE       ARG  10 -15.220  -1.663 -16.164
   82   1HH1  ARG  10          HH21      ARG  10 -17.917  -1.834 -17.570
   83   2HH1  ARG  10          HH22      ARG  10 -17.473  -2.573 -19.071
   84   1HH2  ARG  10          HH11      ARG  10 -14.353  -3.619 -17.863
   85   2HH2  ARG  10          HH12      ARG  10 -15.401  -3.610 -19.242
   86    H    ABA  11           HN       ABU  11 -16.093  -0.481 -10.452
   87    HA   ABA  11           HA       ABU  11 -16.934   2.082 -11.771
   88   1HB   ABA  11           HB1      ABU  11 -16.556   3.196  -9.609
   89   2HB   ABA  11           HB2      ABU  11 -15.979   1.708  -8.896
   90   1HG   ABA  11           HG1      ABU  11 -18.342   0.770  -9.581
   91   2HG   ABA  11           HG2      ABU  11 -18.789   2.469  -9.647
   92   3HG   ABA  11           HG3      ABU  11 -18.201   1.772  -8.142
   93    H    LYS  12           HN       LYS  12 -15.259   2.259 -13.192
   94    HA   LYS  12           HA       LYS  12 -12.573   1.571 -12.765
   95   1HB   LYS  12           HB1      LYS  12 -12.097   3.158 -14.629
   96   2HB   LYS  12           HB2      LYS  12 -13.693   3.871 -14.428
   97   1HG   LYS  12           HG1      LYS  12 -14.793   1.930 -15.194
   98   2HG   LYS  12           HG2      LYS  12 -13.393   0.907 -14.894
   99   1HD   LYS  12           HD1      LYS  12 -12.221   1.767 -16.774
  100   2HD   LYS  12           HD2      LYS  12 -13.290   3.158 -16.908
  101   1HE   LYS  12           HE1      LYS  12 -14.248   0.306 -17.271
  102   2HE   LYS  12           HE2      LYS  12 -13.701   1.305 -18.611
  103   1HZ   LYS  12           HZ1      LYS  12 -15.914   1.983 -16.758
  104   2HZ   LYS  12           HZ2      LYS  12 -16.097   1.392 -18.338
  105   3HZ   LYS  12           HZ3      LYS  12 -15.398   2.917 -18.079
  106    H    LYS  13           HN       LYS  13 -14.323   4.079 -11.270
  107    HA   LYS  13           HA       LYS  13 -11.837   5.601 -10.715
  108   1HB   LYS  13           HB1      LYS  13 -13.427   7.336  -9.817
  109   2HB   LYS  13           HB2      LYS  13 -14.765   6.257 -10.193
  110   1HG   LYS  13           HG1      LYS  13 -13.913   6.224 -12.594
  111   2HG   LYS  13           HG2      LYS  13 -12.818   7.525 -12.141
  112   1HD   LYS  13           HD1      LYS  13 -15.845   7.593 -11.904
  113   2HD   LYS  13           HD2      LYS  13 -14.891   8.441 -13.116
  114   1HE   LYS  13           HE1      LYS  13 -15.135  10.127 -11.535
  115   2HE   LYS  13           HE2      LYS  13 -13.635   9.397 -10.978
  116   1HZ   LYS  13           HZ1      LYS  13 -15.583   7.921  -9.776
  117   2HZ   LYS  13           HZ2      LYS  13 -16.181   9.508  -9.701
  118   3HZ   LYS  13           HZ3      LYS  13 -14.657   9.145  -9.048
  119    HA   PRO  14           HA       PRO  14 -11.614   3.808  -6.623
  120   1HB   PRO  14           HB1      PRO  14  -9.583   4.708  -6.002
  121   2HB   PRO  14           HB2      PRO  14 -10.447   6.111  -5.369
  122   1HG   PRO  14           HG1      PRO  14  -8.700   6.092  -7.610
  123   2HG   PRO  14           HG2      PRO  14  -9.774   7.410  -7.139
  124   1HD   PRO  14           HD1      PRO  14 -10.962   7.015  -9.060
  125   2HD   PRO  14           HD2      PRO  14 -10.033   5.535  -9.368
  126    H    SER  15           HN       SER  15 -12.033   7.322  -6.178
  127    HA   SER  15           HA       SER  15 -13.512   7.491  -3.914
  128   1HB   SER  15           HB1      SER  15 -13.075   9.475  -5.359
  129   2HB   SER  15           HB2      SER  15 -14.817   9.393  -5.032
  130    HG   SER  15           HG1      SER  15 -14.174   7.783  -7.082
  131    H    MET  16           HN       MET  16 -14.850   6.466  -7.031
  132    HA   MET  16           HA       MET  16 -17.541   6.181  -6.029
  133   1HB   MET  16           HB1      MET  16 -17.667   4.596  -8.126
  134   2HB   MET  16           HB2      MET  16 -16.023   5.140  -8.446
  135   1HG   MET  16           HG1      MET  16 -16.793   7.478  -8.388
  136   2HG   MET  16           HG2      MET  16 -18.420   6.940  -8.065
  137   1HE   MET  16           HE1      MET  16 -18.801   8.814  -9.791
  138   2HE   MET  16           HE2      MET  16 -20.032   7.552  -9.842
  139   3HE   MET  16           HE3      MET  16 -19.401   8.230 -11.343
  140    H    LEU  17           HN       LEU  17 -14.993   3.770  -6.755
  141    HA   LEU  17           HA       LEU  17 -16.491   1.608  -5.604
  142   1HB   LEU  17           HB1      LEU  17 -13.460   1.711  -5.746
  143   2HB   LEU  17           HB2      LEU  17 -14.400   1.575  -7.210
  144    HG   LEU  17           HG       LEU  17 -13.635  -0.651  -6.323
  145   1HD1  LEU  17          HD11      LEU  17 -14.437  -1.536  -4.274
  146   2HD1  LEU  17          HD12      LEU  17 -15.618  -0.252  -4.077
  147   3HD1  LEU  17          HD13      LEU  17 -13.905   0.094  -3.888
  148   1HD2  LEU  17          HD21      LEU  17 -15.592  -1.784  -6.890
  149   2HD2  LEU  17          HD22      LEU  17 -15.901  -0.206  -7.593
  150   3HD2  LEU  17          HD23      LEU  17 -16.637  -0.643  -6.062
  151    H    LYS  18           HN       LYS  18 -13.594   3.310  -4.464
  152    HA   LYS  18           HA       LYS  18 -13.177   2.373  -1.968
  153   1HB   LYS  18           HB1      LYS  18 -13.516   5.359  -2.528
  154   2HB   LYS  18           HB2      LYS  18 -12.100   4.440  -3.020
  155   1HG   LYS  18           HG1      LYS  18 -13.085   4.686  -0.150
  156   2HG   LYS  18           HG2      LYS  18 -11.781   5.645  -0.837
  157   1HD   LYS  18           HD1      LYS  18 -11.000   3.085  -1.506
  158   2HD   LYS  18           HD2      LYS  18 -11.770   2.832   0.056
  159   1HE   LYS  18           HE1      LYS  18 -10.394   4.823   0.894
  160   2HE   LYS  18           HE2      LYS  18  -9.482   4.700  -0.605
  161   1HZ   LYS  18           HZ1      LYS  18  -9.432   3.008   1.729
  162   2HZ   LYS  18           HZ2      LYS  18  -8.238   3.277   0.551
  163   3HZ   LYS  18           HZ3      LYS  18  -9.484   2.160   0.259
  164    H    LYS  19           HN       LYS  19 -15.776   4.667  -2.753
  165    HA   LYS  19           HA       LYS  19 -16.794   4.664  -0.063
  166   1HB   LYS  19           HB1      LYS  19 -18.383   5.321  -2.575
  167   2HB   LYS  19           HB2      LYS  19 -17.172   6.431  -1.942
  168   1HG   LYS  19           HG1      LYS  19 -18.389   6.861   0.007
  169   2HG   LYS  19           HG2      LYS  19 -19.253   5.331  -0.075
  170   1HD   LYS  19           HD1      LYS  19 -20.749   7.208  -0.664
  171   2HD   LYS  19           HD2      LYS  19 -20.512   6.146  -2.046
  172   1HE   LYS  19           HE1      LYS  19 -19.131   7.675  -3.154
  173   2HE   LYS  19           HE2      LYS  19 -18.661   8.483  -1.665
  174   1HZ   LYS  19           HZ1      LYS  19 -21.196   9.053  -1.601
  175   2HZ   LYS  19           HZ2      LYS  19 -21.077   8.818  -3.279
  176   3HZ   LYS  19           HZ3      LYS  19 -20.111   9.987  -2.514
  177    H    HIS  20           HN       HIS  20 -17.614   2.977  -3.048
  178    HA   HIS  20           HA       HIS  20 -19.974   1.688  -2.176
  179   1HB   HIS  20           HB1      HIS  20 -17.791   0.640  -4.018
  180   2HB   HIS  20           HB2      HIS  20 -19.163   1.615  -4.538
  181    HD1  HIS  20           HD1      HIS  20 -21.143   0.197  -5.124
  182    HD2  HIS  20           HD2      HIS  20 -18.532  -1.880  -2.791
  183    HE1  HIS  20           HE1      HIS  20 -22.049  -2.075  -4.997
  184    H    ILE  21           HN       ILE  21 -16.613   0.494  -2.120
  185    HA   ILE  21           HA       ILE  21 -17.260  -1.932  -0.787
  186    HB   ILE  21           HB       ILE  21 -15.000  -1.080  -1.924
  187   1HG1  ILE  21          HG11      ILE  21 -15.425  -3.027   0.327
  188   2HG1  ILE  21          HG12      ILE  21 -13.801  -2.777  -0.302
  189   1HG2  ILE  21          HG21      ILE  21 -13.348  -0.293  -0.365
  190   2HG2  ILE  21          HG22      ILE  21 -14.322  -0.737   1.030
  191   3HG2  ILE  21          HG23      ILE  21 -14.773   0.637   0.039
  192   1HD1  ILE  21           HD1      ILE  21 -15.980  -3.160  -2.305
  193   2HD1  ILE  21           HD2      ILE  21 -15.486  -4.575  -1.381
  194   3HD1  ILE  21           HD3      ILE  21 -14.306  -3.702  -2.354
  195    NH1  ARG  22           NH2      ARG  22 -13.682   6.046   5.034
  196    NH2  ARG  22           NH1      ARG  22 -15.867   6.662   4.773
  197    H    ARG  22           HN       ARG  22 -16.709   1.303   0.434
  198    HA   ARG  22           HA       ARG  22 -16.457   0.444   3.209
  199   1HB   ARG  22           HB1      ARG  22 -17.085   2.985   3.550
  200   2HB   ARG  22           HB2      ARG  22 -16.961   3.093   1.798
  201   1HG   ARG  22           HG1      ARG  22 -14.656   2.245   1.881
  202   2HG   ARG  22           HG2      ARG  22 -14.775   2.041   3.625
  203   1HD   ARG  22           HD1      ARG  22 -15.116   4.701   2.196
  204   2HD   ARG  22           HD2      ARG  22 -13.620   4.175   2.965
  205    HE   ARG  22           HE       ARG  22 -15.757   3.975   4.858
  206   1HH1  ARG  22          HH21      ARG  22 -12.979   5.338   4.971
  207   2HH1  ARG  22          HH22      ARG  22 -13.441   6.964   5.346
  208   1HH2  ARG  22          HH11      ARG  22 -16.801   6.415   4.515
  209   2HH2  ARG  22          HH12      ARG  22 -15.662   7.591   5.081
  210    H    THR  23           HN       THR  23 -19.073   0.845   1.041
  211    HA   THR  23           HA       THR  23 -21.047   1.438   3.087
  212    HB   THR  23           HB       THR  23 -21.710   0.113   0.408
  213    HG1  THR  23           HG1      THR  23 -20.204   1.671  -0.077
  214   1HG2  THR  23          HG21      THR  23 -22.856   2.451   2.045
  215   2HG2  THR  23          HG22      THR  23 -23.594   0.857   1.938
  216   3HG2  THR  23          HG23      THR  23 -23.520   1.893   0.515
  217    H    HIS  24           HN       HIS  24 -19.460  -1.423   2.011
  218    HA   HIS  24           HA       HIS  24 -21.577  -3.254   2.866
  219   1HB   HIS  24           HB1      HIS  24 -19.484  -4.891   2.824
  220   2HB   HIS  24           HB2      HIS  24 -18.649  -3.531   2.086
  221    HD1  HIS  24           HD1      HIS  24 -21.727  -5.584   1.415
  222    HD2  HIS  24           HD2      HIS  24 -19.055  -3.269  -0.600
  223    HE1  HIS  24           HE1      HIS  24 -22.271  -5.859  -0.985
  224    H    THR  25           HN       THR  25 -19.936  -1.133   4.602
  225    HA   THR  25           HA       THR  25 -19.094  -2.927   6.793
  226    HB   THR  25           HB       THR  25 -18.427  -0.662   7.820
  227    HG1  THR  25           HG1      THR  25 -20.091   0.000   5.790
  228   1HG2  THR  25          HG21      THR  25 -16.833  -1.808   6.172
  229   2HG2  THR  25          HG22      THR  25 -16.738  -0.051   6.094
  230   3HG2  THR  25          HG23      THR  25 -17.645  -0.939   4.873
  231    H    ASP  26           HN       ASP  26 -20.227   0.024   7.830
  232    HA   ASP  26           HA       ASP  26 -22.971  -0.846   8.372
  233   1HB   ASP  26           HB1      ASP  26 -22.528  -0.354  10.903
  234   2HB   ASP  26           HB2      ASP  26 -20.819  -0.535  10.511
  235    H    VAL  27           HN       VAL  27 -21.537   1.213   6.969
  236    HA   VAL  27           HA       VAL  27 -22.088   3.654   8.546
  237    HB   VAL  27           HB       VAL  27 -20.000   3.526   7.239
  238   1HG1  VAL  27          HG11      VAL  27 -20.828   1.925   5.532
  239   2HG1  VAL  27          HG12      VAL  27 -20.038   3.308   4.796
  240   3HG1  VAL  27          HG13      VAL  27 -21.793   3.203   4.816
  241   1HG2  VAL  27          HG21      VAL  27 -21.829   5.623   7.132
  242   2HG2  VAL  27          HG22      VAL  27 -21.349   5.410   5.453
  243   3HG2  VAL  27          HG23      VAL  27 -20.130   5.719   6.683
  244    NH1  ARG  28           NH2      ARG  28 -26.338  -2.116   6.777
  245    NH2  ARG  28           NH1      ARG  28 -24.111  -2.625   6.747
  246    H    ARG  28           HN       ARG  28 -24.368   2.261   8.025
  247    HA   ARG  28           HA       ARG  28 -25.749   3.860   5.908
  248   1HB   ARG  28           HB1      ARG  28 -27.453   1.914   6.122
  249   2HB   ARG  28           HB2      ARG  28 -26.200   1.073   7.024
  250   1HG   ARG  28           HG1      ARG  28 -24.728   1.807   4.910
  251   2HG   ARG  28           HG2      ARG  28 -26.302   1.787   4.125
  252   1HD   ARG  28           HD1      ARG  28 -25.238  -0.429   3.943
  253   2HD   ARG  28           HD2      ARG  28 -26.670  -0.529   4.966
  254    HE   ARG  28           HE       ARG  28 -24.096  -0.094   6.354
  255   1HH1  ARG  28          HH21      ARG  28 -27.069  -1.461   6.585
  256   2HH1  ARG  28          HH22      ARG  28 -26.558  -3.009   7.170
  257   1HH2  ARG  28          HH11      ARG  28 -23.174  -2.352   6.532
  258   2HH2  ARG  28          HH12      ARG  28 -24.292  -3.527   7.139
  259    HA   PRO  29           HA       PRO  29 -27.394   5.218  10.032
  260   1HB   PRO  29           HB1      PRO  29 -26.959   7.473  10.005
  261   2HB   PRO  29           HB2      PRO  29 -28.150   7.717   8.729
  262   1HG   PRO  29           HG1      PRO  29 -25.236   7.658   8.498
  263   2HG   PRO  29           HG2      PRO  29 -26.422   8.081   7.261
  264   1HD   PRO  29           HD1      PRO  29 -26.204   6.040   6.276
  265   2HD   PRO  29           HD2      PRO  29 -24.869   5.689   7.388
  266    OH   TYR  30           OH       TYR  30 -29.726  10.914   4.385
  267    H    TYR  30           HN       TYR  30 -28.806   5.638   6.806
  268    HA   TYR  30           HA       TYR  30 -31.508   6.012   7.715
  269   1HB   TYR  30           HB1      TYR  30 -32.084   5.336   5.345
  270   2HB   TYR  30           HB2      TYR  30 -30.408   4.860   5.102
  271    HD1  TYR  30           HD1      TYR  30 -32.398   7.803   6.300
  272    HD2  TYR  30           HD2      TYR  30 -28.926   6.461   4.241
  273    HE1  TYR  30           HE1      TYR  30 -31.823  10.123   5.758
  274    HE2  TYR  30           HE2      TYR  30 -28.352   8.781   3.698
  275    HH   TYR  30           HH       TYR  30 -30.494  11.460   4.568
  276    H    HIS  31           HN       HIS  31 -32.510   4.571   8.980
  277    HA   HIS  31           HA       HIS  31 -32.308   1.665   8.255
  278   1HB   HIS  31           HB1      HIS  31 -32.732   1.234  10.702
  279   2HB   HIS  31           HB2      HIS  31 -32.714   2.971  10.989
  280    HD1  HIS  31           HD1      HIS  31 -30.403   0.445   9.552
  281    HD2  HIS  31           HD2      HIS  31 -30.238   3.949  11.583
  282    HE1  HIS  31           HE1      HIS  31 -28.040   0.806   9.979
  283    H    CYS  32           HN       CYS  32 -34.193   0.562   7.935
  284    HA   CYS  32           HA       CYS  32 -36.616   2.008   7.552
  285   1HB   CYS  32           HB1      CYS  32 -35.963  -0.929   7.939
  286   2HB   CYS  32           HB2      CYS  32 -36.453  -0.118   6.475
  287    H    THR  33           HN       THR  33 -38.471   2.214   8.815
  288    HA   THR  33           HA       THR  33 -37.964   2.253  11.686
  289    HB   THR  33           HB       THR  33 -40.615   2.739  10.202
  290    HG1  THR  33           HG1      THR  33 -39.510   4.349   9.426
  291   1HG2  THR  33          HG21      THR  33 -40.790   4.447  12.156
  292   2HG2  THR  33          HG22      THR  33 -39.420   3.620  12.888
  293   3HG2  THR  33          HG23      THR  33 -40.940   2.764  12.649
  294    OH   TYR  34           OH       TYR  34 -44.674   1.999   9.802
  295    H    TYR  34           HN       TYR  34 -38.378  -0.289   9.893
  296    HA   TYR  34           HA       TYR  34 -39.959  -1.722  11.969
  297   1HB   TYR  34           HB1      TYR  34 -41.157  -2.998  10.220
  298   2HB   TYR  34           HB2      TYR  34 -40.268  -2.165   8.956
  299    HD1  TYR  34           HD2      TYR  34 -40.562   0.404   8.791
  300    HD2  TYR  34           HD1      TYR  34 -43.165  -2.077  11.067
  301    HE1  TYR  34           HE2      TYR  34 -42.294   2.137   8.704
  302    HE2  TYR  34           HE1      TYR  34 -44.890  -0.336  10.982
  303    HH   TYR  34           HH       TYR  34 -44.451   2.607   9.094
  304    H    CYS  35           HN       CYS  35 -38.449  -2.588   8.870
  305    HA   CYS  35           HA       CYS  35 -37.361  -5.048   9.798
  306   1HB   CYS  35           HB1      CYS  35 -35.978  -4.970   7.781
  307   2HB   CYS  35           HB2      CYS  35 -36.179  -3.248   7.653
  308    H    ASN  36           HN       ASN  36 -34.758  -5.079   9.095
  309    HA   ASN  36           HA       ASN  36 -33.440  -3.296  11.102
  310   1HB   ASN  36           HB1      ASN  36 -32.609  -6.140  10.340
  311   2HB   ASN  36           HB2      ASN  36 -33.641  -5.792  11.725
  312   1HD2  ASN  36          HD21      ASN  36 -32.604  -3.828  13.119
  313   2HD2  ASN  36          HD22      ASN  36 -30.955  -4.025  13.468
  314    H    PHE  37           HN       PHE  37 -33.851  -3.777   7.963
  315    HA   PHE  37           HA       PHE  37 -31.104  -3.826   7.011
  316   1HB   PHE  37           HB1      PHE  37 -33.418  -2.745   5.390
  317   2HB   PHE  37           HB2      PHE  37 -33.398  -4.460   5.798
  318    HD1  PHE  37           HD2      PHE  37 -31.301  -5.815   5.183
  319    HD2  PHE  37           HD1      PHE  37 -32.043  -1.915   3.645
  320    HE1  PHE  37           HE2      PHE  37 -29.690  -6.220   3.372
  321    HE2  PHE  37           HE1      PHE  37 -30.432  -2.324   1.837
  322    HZ   PHE  37           HZ       PHE  37 -29.255  -4.475   1.700
  323    H    SER  38           HN       SER  38 -30.069  -2.075   5.898
  324    HA   SER  38           HA       SER  38 -31.120   0.612   6.568
  325   1HB   SER  38           HB1      SER  38 -28.202  -0.084   7.023
  326   2HB   SER  38           HB2      SER  38 -29.396  -0.340   8.299
  327    HG   SER  38           HG1      SER  38 -29.143   2.065   6.826
  328    H    PHE  39           HN       PHE  39 -30.221   2.307   5.341
  329    HA   PHE  39           HA       PHE  39 -28.818   1.408   2.860
  330   1HB   PHE  39           HB1      PHE  39 -30.264   2.843   1.578
  331   2HB   PHE  39           HB2      PHE  39 -30.826   3.687   3.020
  332    HD1  PHE  39           HD2      PHE  39 -32.330   2.503   4.642
  333    HD2  PHE  39           HD1      PHE  39 -31.265   0.742   0.912
  334    HE1  PHE  39           HE2      PHE  39 -34.179   0.903   4.866
  335    HE2  PHE  39           HE1      PHE  39 -33.127  -0.844   1.134
  336    HZ   PHE  39           HZ       PHE  39 -34.584  -0.765   3.111
  337    H    LYS  40           HN       LYS  40 -27.618   3.093   1.784
  338    HA   LYS  40           HA       LYS  40 -26.254   4.824   3.745
  339   1HB   LYS  40           HB1      LYS  40 -25.730   4.075   0.834
  340   2HB   LYS  40           HB2      LYS  40 -24.905   3.440   2.235
  341   1HG   LYS  40           HG1      LYS  40 -24.776   6.303   1.225
  342   2HG   LYS  40           HG2      LYS  40 -23.483   5.117   1.166
  343   1HD   LYS  40           HD1      LYS  40 -23.775   4.973   3.739
  344   2HD   LYS  40           HD2      LYS  40 -24.636   6.498   3.582
  345   1HE   LYS  40           HE1      LYS  40 -22.300   6.996   4.012
  346   2HE   LYS  40           HE2      LYS  40 -22.652   7.419   2.341
  347   1HZ   LYS  40           HZ1      LYS  40 -21.564   4.774   3.077
  348   2HZ   LYS  40           HZ2      LYS  40 -20.555   6.110   2.789
  349   3HZ   LYS  40           HZ3      LYS  40 -21.570   5.531   1.556
  350    H    THR  41           HN       THR  41 -28.659   5.042   1.355
  351    HA   THR  41           HA       THR  41 -28.408   8.024   1.381
  352    HB   THR  41           HB       THR  41 -28.905   8.093  -0.982
  353    HG1  THR  41           HG1      THR  41 -29.738   5.420  -0.470
  354   1HG2  THR  41          HG21      THR  41 -26.650   6.822  -0.395
  355   2HG2  THR  41          HG22      THR  41 -27.298   6.568  -2.012
  356   3HG2  THR  41          HG23      THR  41 -27.546   5.351  -0.763
  357    H    LYS  42           HN       LYS  42 -30.368   9.174   1.089
  358    HA   LYS  42           HA       LYS  42 -32.562   7.972   2.536
  359   1HB   LYS  42           HB1      LYS  42 -32.664  10.611   1.038
  360   2HB   LYS  42           HB2      LYS  42 -31.733  10.465   2.524
  361   1HG   LYS  42           HG1      LYS  42 -33.784   9.632   3.686
  362   2HG   LYS  42           HG2      LYS  42 -34.698   9.896   2.204
  363   1HD   LYS  42           HD1      LYS  42 -34.081  12.297   2.257
  364   2HD   LYS  42           HD2      LYS  42 -33.179  12.029   3.744
  365   1HE   LYS  42           HE1      LYS  42 -35.674  10.903   4.275
  366   2HE   LYS  42           HE2      LYS  42 -36.060  12.353   3.357
  367   1HZ   LYS  42           HZ1      LYS  42 -34.274  13.363   4.985
  368   2HZ   LYS  42           HZ2      LYS  42 -34.802  12.088   5.974
  369   3HZ   LYS  42           HZ3      LYS  42 -35.913  13.242   5.413
  370    H    GLY  43           HN       GLY  43 -31.665   8.229  -0.735
  371   1HA   GLY  43           HA1      GLY  43 -32.809   7.706  -2.722
  372   2HA   GLY  43           HA2      GLY  43 -34.271   8.307  -1.945
  373    H    ASN  44           HN       ASN  44 -32.069   5.539  -1.508
  374    HA   ASN  44           HA       ASN  44 -33.831   3.521  -2.286
  375   1HB   ASN  44           HB1      ASN  44 -32.483   2.136  -0.504
  376   2HB   ASN  44           HB2      ASN  44 -31.583   3.628  -0.248
  377   1HD2  ASN  44          HD21      ASN  44 -29.643   2.644  -1.183
  378   2HD2  ASN  44          HD22      ASN  44 -29.507   2.406  -2.858
  379    H    LEU  45           HN       LEU  45 -33.730   5.316   0.710
  380    HA   LEU  45           HA       LEU  45 -35.288   3.578   2.320
  381   1HB   LEU  45           HB1      LEU  45 -35.575   6.603   2.369
  382   2HB   LEU  45           HB2      LEU  45 -34.060   5.867   2.853
  383    HG   LEU  45           HG       LEU  45 -35.577   6.297   4.793
  384   1HD1  LEU  45          HD11      LEU  45 -37.380   4.119   3.698
  385   2HD1  LEU  45          HD12      LEU  45 -37.686   5.823   3.394
  386   3HD1  LEU  45          HD13      LEU  45 -37.677   5.211   5.043
  387   1HD2  LEU  45          HD21      LEU  45 -35.489   3.307   4.622
  388   2HD2  LEU  45          HD22      LEU  45 -34.923   4.379   5.893
  389   3HD2  LEU  45          HD23      LEU  45 -33.969   4.167   4.432
  390    H    THR  46           HN       THR  46 -36.398   6.449   0.501
  391    HA   THR  46           HA       THR  46 -39.157   6.011   0.823
  392    HB   THR  46           HB       THR  46 -37.808   7.065  -1.735
  393    HG1  THR  46           HG1      THR  46 -37.871   9.026  -0.526
  394   1HG2  THR  46          HG21      THR  46 -40.331   6.922  -1.798
  395   2HG2  THR  46          HG22      THR  46 -39.823   8.602  -1.671
  396   3HG2  THR  46          HG23      THR  46 -40.411   7.750  -0.247
  397    H    LYS  47           HN       LYS  47 -36.865   4.529  -1.360
  398    HA   LYS  47           HA       LYS  47 -38.778   3.265  -3.085
  399   1HB   LYS  47           HB1      LYS  47 -36.075   2.071  -2.379
  400   2HB   LYS  47           HB2      LYS  47 -36.167   3.555  -3.320
  401   1HG   LYS  47           HG1      LYS  47 -37.659   2.385  -4.951
  402   2HG   LYS  47           HG2      LYS  47 -37.451   0.896  -4.034
  403   1HD   LYS  47           HD1      LYS  47 -35.640   0.527  -5.355
  404   2HD   LYS  47           HD2      LYS  47 -34.842   1.767  -4.394
  405   1HE   LYS  47           HE1      LYS  47 -36.257   2.090  -7.048
  406   2HE   LYS  47           HE2      LYS  47 -34.587   2.479  -6.655
  407   1HZ   LYS  47           HZ1      LYS  47 -37.040   3.902  -5.832
  408   2HZ   LYS  47           HZ2      LYS  47 -35.697   4.508  -6.678
  409   3HZ   LYS  47           HZ3      LYS  47 -35.562   4.131  -5.027
  410    H    HIS  48           HN       HIS  48 -37.228   2.263  -0.068
  411    HA   HIS  48           HA       HIS  48 -38.399  -0.401  -0.161
  412   1HB   HIS  48           HB1      HIS  48 -37.094   1.219   2.081
  413   2HB   HIS  48           HB2      HIS  48 -36.345  -0.058   1.128
  414    HD1  HIS  48           HD1      HIS  48 -38.103  -2.319   1.354
  415    HD2  HIS  48           HD2      HIS  48 -37.786   0.218   4.545
  416    HE1  HIS  48           HE1      HIS  48 -38.842  -3.617   3.292
  417    H    MET  49           HN       MET  49 -39.033   2.494   1.822
  418    HA   MET  49           HA       MET  49 -41.270   1.452   3.209
  419   1HB   MET  49           HB1      MET  49 -41.949   4.001   3.219
  420   2HB   MET  49           HB2      MET  49 -40.426   4.248   2.374
  421   1HG   MET  49           HG1      MET  49 -39.885   4.502   4.652
  422   2HG   MET  49           HG2      MET  49 -39.325   2.907   4.225
  423   1HE   MET  49           HE1      MET  49 -42.197   4.231   7.387
  424   2HE   MET  49           HE2      MET  49 -41.753   5.118   5.928
  425   3HE   MET  49           HE3      MET  49 -40.522   4.718   7.127
  426    H    LYS  50           HN       LYS  50 -40.957   2.569  -0.055
  427    HA   LYS  50           HA       LYS  50 -43.679   3.179  -0.609
  428   1HB   LYS  50           HB1      LYS  50 -41.456   2.007  -2.356
  429   2HB   LYS  50           HB2      LYS  50 -41.906   3.701  -2.230
  430   1HG   LYS  50           HG1      LYS  50 -43.551   1.456  -3.452
  431   2HG   LYS  50           HG2      LYS  50 -42.867   2.847  -4.280
  432   1HD   LYS  50           HD1      LYS  50 -44.288   4.254  -2.599
  433   2HD   LYS  50           HD2      LYS  50 -45.186   2.760  -2.358
  434   1HE   LYS  50           HE1      LYS  50 -46.246   4.082  -4.133
  435   2HE   LYS  50           HE2      LYS  50 -45.559   2.614  -4.817
  436   1HZ   LYS  50           HZ1      LYS  50 -45.135   4.901  -5.928
  437   2HZ   LYS  50           HZ2      LYS  50 -43.885   3.754  -5.838
  438   3HZ   LYS  50           HZ3      LYS  50 -43.929   5.051  -4.742
  439    H    SER  51           HN       SER  51 -41.898   0.125  -1.038
  440    HA   SER  51           HA       SER  51 -43.896  -1.502  -2.046
  441   1HB   SER  51           HB1      SER  51 -42.127  -2.392   0.284
  442   2HB   SER  51           HB2      SER  51 -41.481  -2.155  -1.352
  443    HG   SER  51           HG1      SER  51 -43.209  -4.077  -0.382
  444    H    LYS  52           HN       LYS  52 -45.547  -2.770  -1.178
  445    HA   LYS  52           HA       LYS  52 -46.952  -1.542   1.051
  446   1HB   LYS  52           HB1      LYS  52 -48.707  -3.129   0.524
  447   2HB   LYS  52           HB2      LYS  52 -47.574  -4.224  -0.263
  448   1HG   LYS  52           HG1      LYS  52 -47.230  -2.678  -2.087
  449   2HG   LYS  52           HG2      LYS  52 -48.115  -1.408  -1.250
  450   1HD   LYS  52           HD1      LYS  52 -50.189  -2.678  -1.413
  451   2HD   LYS  52           HD2      LYS  52 -49.334  -4.057  -2.094
  452   1HE   LYS  52           HE1      LYS  52 -49.555  -1.307  -3.365
  453   2HE   LYS  52           HE2      LYS  52 -50.426  -2.747  -3.879
  454   1HZ   LYS  52           HZ1      LYS  52 -48.273  -3.811  -4.307
  455   2HZ   LYS  52           HZ2      LYS  52 -47.487  -2.357  -3.914
  456   3HZ   LYS  52           HZ3      LYS  52 -48.519  -2.427  -5.261
  457    H    ALA  53           HN       ALA  53 -44.298  -2.942   1.461
  458    HA   ALA  53           HA       ALA  53 -44.688  -5.343   2.932
  459   1HB   ALA  53           HB1      ALA  53 -42.447  -4.482   2.230
  460   2HB   ALA  53           HB2      ALA  53 -42.477  -4.777   3.966
  461   3HB   ALA  53           HB3      ALA  53 -42.611  -3.134   3.350
  462    H    HIS  54           HN       HIS  54 -44.046  -2.123   4.333
  463    HA   HIS  54           HA       HIS  54 -46.221  -2.402   6.220
  464   1HB   HIS  54           HB1      HIS  54 -44.851  -3.811   7.496
  465   2HB   HIS  54           HB2      HIS  54 -44.396  -2.249   8.162
  466    HD1  HIS  54           HD1      HIS  54 -43.034  -5.032   6.281
  467    HD2  HIS  54           HD2      HIS  54 -41.840  -1.220   7.147
  468    HE1  HIS  54           HE1      HIS  54 -40.627  -4.978   5.831
  469    H    SER  55           HN       SER  55 -46.833  -0.364   5.684
  470    HA   SER  55           HA       SER  55 -44.935   1.833   6.425
  471   1HB   SER  55           HB1      SER  55 -46.268   3.209   4.722
  472   2HB   SER  55           HB2      SER  55 -47.083   1.706   4.247
  473    HG   SER  55           HG1      SER  55 -44.877   0.827   4.084
  474    H    LYS  56           HN       LYS  56 -48.394   1.809   5.684
  475    HA   LYS  56           HA       LYS  56 -48.947   2.627   8.499
  476   1HB   LYS  56           HB1      LYS  56 -50.614   4.331   7.391
  477   2HB   LYS  56           HB2      LYS  56 -49.659   4.101   5.931
  478   1HG   LYS  56           HG1      LYS  56 -48.505   5.878   6.876
  479   2HG   LYS  56           HG2      LYS  56 -47.635   4.539   7.614
  480   1HD   LYS  56           HD1      LYS  56 -49.425   4.695   9.497
  481   2HD   LYS  56           HD2      LYS  56 -49.776   6.285   8.830
  482   1HE   LYS  56           HE1      LYS  56 -47.423   6.947   9.117
  483   2HE   LYS  56           HE2      LYS  56 -47.032   5.346   9.730
  484   1HZ   LYS  56           HZ1      LYS  56 -47.363   6.426  11.671
  485   2HZ   LYS  56           HZ2      LYS  56 -48.966   5.944  11.384
  486   3HZ   LYS  56           HZ3      LYS  56 -48.477   7.529  11.017
  487    H    LYS  57           HN       LYS  57 -49.399   0.114   7.303
  488    HA   LYS  57           HA       LYS  57 -51.952  -0.294   6.218
  489   1HB   LYS  57           HB1      LYS  57 -51.759  -2.592   7.306
  490   2HB   LYS  57           HB2      LYS  57 -50.327  -2.012   8.147
  491   1HG   LYS  57           HG1      LYS  57 -49.362  -1.411   5.874
  492   2HG   LYS  57           HG2      LYS  57 -50.718  -2.269   5.151
  493   1HD   LYS  57           HD1      LYS  57 -48.714  -3.466   7.096
  494   2HD   LYS  57           HD2      LYS  57 -48.741  -3.747   5.359
  495   1HE   LYS  57           HE1      LYS  57 -51.241  -4.459   5.803
  496   2HE   LYS  57           HE2      LYS  57 -50.683  -4.680   7.456
  497   1HZ   LYS  57           HZ1      LYS  57 -48.758  -5.930   6.152
  498   2HZ   LYS  57           HZ2      LYS  57 -50.033  -6.186   5.060
  499   3HZ   LYS  57                 LYS  57 -50.176  -6.706   6.671
   
  Start of MODEL          31
 Raw file had 499 H/Q atoms
  Start of MODEL   31
    1   1H    LYS   1           HT1      LYS   1  -7.660  -0.979 -10.303
    2   2H    LYS   1           HT2      LYS   1  -6.722  -2.393 -10.362
    3   3H    LYS   1           HT3      LYS   1  -7.217  -1.764  -8.864
    4    HA   LYS   1           HA       LYS   1  -9.052  -2.779 -10.961
    5   1HB   LYS   1           HB1      LYS   1  -7.825  -4.675 -10.039
    6   2HB   LYS   1           HB2      LYS   1  -9.387  -4.653  -9.234
    7   1HG   LYS   1           HG1      LYS   1  -8.336  -3.365  -7.349
    8   2HG   LYS   1           HG2      LYS   1  -6.776  -3.556  -8.139
    9   1HD   LYS   1           HD1      LYS   1  -8.584  -5.841  -7.270
   10   2HD   LYS   1           HD2      LYS   1  -7.154  -5.300  -6.398
   11   1HE   LYS   1           HE1      LYS   1  -6.197  -6.989  -7.665
   12   2HE   LYS   1           HE2      LYS   1  -6.012  -5.655  -8.797
   13   1HZ   LYS   1           HZ1      LYS   1  -7.330  -6.665 -10.225
   14   2HZ   LYS   1           HZ2      LYS   1  -8.568  -6.819  -9.074
   15   3HZ   LYS   1           HZ3      LYS   1  -7.372  -8.018  -9.199
   16    OH   TYR   2           OH       TYR   2  -7.537   2.814  -8.411
   17    H    TYR   2           HN       TYR   2 -11.201  -2.645 -10.417
   18    HA   TYR   2           HA       TYR   2 -11.953  -1.612  -7.761
   19   1HB   TYR   2           HB1      TYR   2 -13.124   0.344  -8.718
   20   2HB   TYR   2           HB2      TYR   2 -12.578  -0.089 -10.333
   21    HD1  TYR   2           HD2      TYR   2 -11.402   0.950  -6.969
   22    HD2  TYR   2           HD1      TYR   2 -10.388   0.515 -11.074
   23    HE1  TYR   2           HE2      TYR   2  -9.351   2.238  -6.597
   24    HE2  TYR   2           HE1      TYR   2  -8.324   1.786 -10.700
   25    HH   TYR   2           HH       TYR   2  -6.809   2.192  -8.340
   26    H    ILE   3           HN       ILE   3 -12.789  -3.926  -8.197
   27    HA   ILE   3           HA       ILE   3 -15.597  -3.654  -9.186
   28    HB   ILE   3           HB       ILE   3 -13.571  -5.869  -9.775
   29   1HG1  ILE   3          HG11      ILE   3 -14.098  -3.660 -11.228
   30   2HG1  ILE   3          HG12      ILE   3 -15.388  -4.693 -11.827
   31   1HG2  ILE   3          HG21      ILE   3 -16.615  -5.827  -9.924
   32   2HG2  ILE   3          HG22      ILE   3 -15.583  -7.065  -9.216
   33   3HG2  ILE   3          HG23      ILE   3 -15.675  -6.891 -10.965
   34   1HD1  ILE   3           HD1      ILE   3 -13.395  -5.013 -13.210
   35   2HD1  ILE   3           HD2      ILE   3 -13.695  -6.478 -12.281
   36   3HD1  ILE   3           HD3      ILE   3 -12.427  -5.363 -11.782
   37    H    CYS   4           HN       CYS   4 -16.803  -3.915  -7.395
   38    HA   CYS   4           HA       CYS   4 -15.905  -5.170  -5.028
   39   1HB   CYS   4           HB1      CYS   4 -18.672  -4.666  -6.132
   40   2HB   CYS   4           HB2      CYS   4 -17.839  -3.765  -4.894
   41    H    GLU   5           HN       GLU   5 -15.526  -7.201  -4.588
   42    HA   GLU   5           HA       GLU   5 -16.130  -9.307  -6.436
   43   1HB   GLU   5           HB1      GLU   5 -15.357 -10.730  -4.356
   44   2HB   GLU   5           HB2      GLU   5 -14.995  -9.168  -3.632
   45   1HG   GLU   5           HG1      GLU   5 -12.973  -9.890  -4.715
   46   2HG   GLU   5           HG2      GLU   5 -13.659  -8.636  -5.745
   47    H    GLU   6           HN       GLU   6 -17.979  -7.866  -3.976
   48    HA   GLU   6           HA       GLU   6 -19.556 -10.281  -3.493
   49   1HB   GLU   6           HB1      GLU   6 -20.198  -7.483  -2.505
   50   2HB   GLU   6           HB2      GLU   6 -18.958  -8.460  -1.729
   51   1HG   GLU   6           HG1      GLU   6 -21.784  -9.452  -2.191
   52   2HG   GLU   6           HG2      GLU   6 -21.281  -8.654  -0.704
   53    H    CYS   7           HN       CYS   7 -20.558  -6.955  -4.240
   54    HA   CYS   7           HA       CYS   7 -22.978  -7.913  -5.525
   55   1HB   CYS   7           HB1      CYS   7 -23.506  -5.625  -5.822
   56   2HB   CYS   7           HB2      CYS   7 -21.837  -5.149  -5.904
   57    H    GLY   8           HN       GLY   8 -19.887  -6.613  -6.641
   58   1HA   GLY   8           HA1      GLY   8 -20.532  -7.658  -9.353
   59   2HA   GLY   8           HA2      GLY   8 -18.914  -7.295  -8.763
   60    H    ILE   9           HN       ILE   9 -20.191  -4.755  -7.576
   61    HA   ILE   9           HA       ILE   9 -21.095  -3.137  -9.712
   62    HB   ILE   9           HB       ILE   9 -21.018  -2.751  -7.066
   63   1HG1  ILE   9          HG11      ILE   9 -20.766  -0.617  -9.209
   64   2HG1  ILE   9          HG12      ILE   9 -21.134  -0.232  -7.533
   65   1HG2  ILE   9          HG21      ILE   9 -18.407  -2.637  -7.242
   66   2HG2  ILE   9          HG22      ILE   9 -19.192  -1.370  -6.319
   67   3HG2  ILE   9          HG23      ILE   9 -18.644  -1.046  -7.956
   68   1HD1  ILE   9           HD1      ILE   9 -22.952  -1.068  -9.554
   69   2HD1  ILE   9           HD2      ILE   9 -23.303  -0.780  -7.854
   70   3HD1  ILE   9           HD3      ILE   9 -22.852  -2.390  -8.399
   71    NH1  ARG  10           NH1      ARG  10 -16.284  -2.614 -18.228
   72    NH2  ARG  10           NH2      ARG  10 -15.430  -4.415 -17.110
   73    H    ARG  10           HN       ARG  10 -20.098  -1.844 -11.156
   74    HA   ARG  10           HA       ARG  10 -17.143  -2.183 -11.402
   75   1HB   ARG  10           HB1      ARG  10 -19.184  -1.289 -13.496
   76   2HB   ARG  10           HB2      ARG  10 -18.682  -2.959 -13.281
   77   1HG   ARG  10           HG1      ARG  10 -16.274  -1.509 -13.439
   78   2HG   ARG  10           HG2      ARG  10 -17.309  -0.789 -14.664
   79   1HD   ARG  10           HD1      ARG  10 -17.832  -3.164 -15.447
   80   2HD   ARG  10           HD2      ARG  10 -16.531  -3.707 -14.389
   81    HE   ARG  10           HE       ARG  10 -15.284  -1.772 -15.863
   82   1HH1  ARG  10          HH11      ARG  10 -16.618  -1.672 -18.205
   83   2HH1  ARG  10          HH12      ARG  10 -16.264  -3.117 -19.092
   84   1HH2  ARG  10          HH21      ARG  10 -15.124  -4.822 -16.250
   85   2HH2  ARG  10          HH22      ARG  10 -15.396  -4.948 -17.955
   86    H    ABA  11           HN       ABU  11 -16.133  -0.490 -10.512
   87    HA   ABA  11           HA       ABU  11 -17.011   2.241 -11.349
   88   1HB   ABA  11           HB1      ABU  11 -16.212   2.887  -8.927
   89   2HB   ABA  11           HB2      ABU  11 -16.432   1.187  -8.566
   90   1HG   ABA  11           HG1      ABU  11 -18.555   3.035  -9.692
   91   2HG   ABA  11           HG2      ABU  11 -18.484   2.439  -8.036
   92   3HG   ABA  11           HG3      ABU  11 -18.773   1.320  -9.363
   93    H    LYS  12           HN       LYS  12 -15.256   1.943 -12.877
   94    HA   LYS  12           HA       LYS  12 -12.600   1.380 -12.383
   95   1HB   LYS  12           HB1      LYS  12 -12.099   2.997 -14.257
   96   2HB   LYS  12           HB2      LYS  12 -13.749   3.600 -14.134
   97   1HG   LYS  12           HG1      LYS  12 -14.535   1.208 -14.498
   98   2HG   LYS  12           HG2      LYS  12 -12.867   0.796 -14.878
   99   1HD   LYS  12           HD1      LYS  12 -13.096   2.903 -16.504
  100   2HD   LYS  12           HD2      LYS  12 -14.803   2.481 -16.420
  101   1HE   LYS  12           HE1      LYS  12 -12.548   0.600 -17.195
  102   2HE   LYS  12           HE2      LYS  12 -13.719   1.309 -18.300
  103   1HZ   LYS  12           HZ1      LYS  12 -14.456  -0.854 -17.796
  104   2HZ   LYS  12           HZ2      LYS  12 -15.471   0.203 -16.937
  105   3HZ   LYS  12           HZ3      LYS  12 -14.234  -0.633 -16.127
  106    H    LYS  13           HN       LYS  13 -14.330   4.198 -11.275
  107    HA   LYS  13           HA       LYS  13 -11.811   5.577 -10.640
  108   1HB   LYS  13           HB1      LYS  13 -13.325   7.402  -9.818
  109   2HB   LYS  13           HB2      LYS  13 -14.703   6.336 -10.036
  110   1HG   LYS  13           HG1      LYS  13 -14.656   7.685 -12.003
  111   2HG   LYS  13           HG2      LYS  13 -14.000   6.132 -12.494
  112   1HD   LYS  13           HD1      LYS  13 -11.820   7.724 -11.523
  113   2HD   LYS  13           HD2      LYS  13 -12.750   8.709 -12.641
  114   1HE   LYS  13           HE1      LYS  13 -12.662   6.858 -14.307
  115   2HE   LYS  13           HE2      LYS  13 -11.670   5.925 -13.193
  116   1HZ   LYS  13           HZ1      LYS  13 -10.187   6.964 -14.644
  117   2HZ   LYS  13           HZ2      LYS  13 -10.113   7.889 -13.222
  118   3HZ   LYS  13           HZ3      LYS  13 -10.993   8.457 -14.559
  119    HA   PRO  14           HA       PRO  14 -11.545   3.929  -6.515
  120   1HB   PRO  14           HB1      PRO  14  -9.577   4.939  -5.873
  121   2HB   PRO  14           HB2      PRO  14 -10.510   6.321  -5.297
  122   1HG   PRO  14           HG1      PRO  14  -8.730   6.304  -7.512
  123   2HG   PRO  14           HG2      PRO  14  -9.862   7.592  -7.098
  124   1HD   PRO  14           HD1      PRO  14 -10.997   7.089  -9.026
  125   2HD   PRO  14           HD2      PRO  14 -10.017   5.628  -9.263
  126    H    SER  15           HN       SER  15 -12.137   7.421  -6.091
  127    HA   SER  15           HA       SER  15 -13.668   7.504  -3.851
  128   1HB   SER  15           HB1      SER  15 -13.247   9.510  -5.290
  129   2HB   SER  15           HB2      SER  15 -14.983   9.390  -4.944
  130    HG   SER  15           HG1      SER  15 -14.040   9.500  -7.282
  131    H    MET  16           HN       MET  16 -14.919   6.542  -7.023
  132    HA   MET  16           HA       MET  16 -17.612   6.146  -6.111
  133   1HB   MET  16           HB1      MET  16 -17.640   4.613  -8.234
  134   2HB   MET  16           HB2      MET  16 -15.984   5.153  -8.475
  135   1HG   MET  16           HG1      MET  16 -18.528   6.714  -8.576
  136   2HG   MET  16           HG2      MET  16 -17.191   6.719  -9.694
  137   1HE   MET  16           HE1      MET  16 -18.987   9.057  -8.656
  138   2HE   MET  16           HE2      MET  16 -18.321  10.070  -7.375
  139   3HE   MET  16           HE3      MET  16 -19.040   8.509  -6.980
  140    H    LEU  17           HN       LEU  17 -14.973   3.813  -6.745
  141    HA   LEU  17           HA       LEU  17 -16.482   1.626  -5.606
  142   1HB   LEU  17           HB1      LEU  17 -13.449   1.754  -5.915
  143   2HB   LEU  17           HB2      LEU  17 -14.490   1.541  -7.302
  144    HG   LEU  17           HG       LEU  17 -13.497  -0.610  -6.271
  145   1HD1  LEU  17          HD11      LEU  17 -13.968   0.073  -3.897
  146   2HD1  LEU  17          HD12      LEU  17 -14.523  -1.536  -4.325
  147   3HD1  LEU  17          HD13      LEU  17 -15.676  -0.220  -4.222
  148   1HD2  LEU  17          HD21      LEU  17 -15.378  -0.739  -7.833
  149   2HD2  LEU  17          HD22      LEU  17 -16.517  -0.428  -6.535
  150   3HD2  LEU  17          HD23      LEU  17 -15.587  -1.915  -6.547
  151    H    LYS  18           HN       LYS  18 -13.522   3.267  -4.501
  152    HA   LYS  18           HA       LYS  18 -13.131   2.286  -2.005
  153   1HB   LYS  18           HB1      LYS  18 -13.080   5.124  -3.058
  154   2HB   LYS  18           HB2      LYS  18 -11.734   4.111  -2.552
  155   1HG   LYS  18           HG1      LYS  18 -12.750   4.282  -0.170
  156   2HG   LYS  18           HG2      LYS  18 -13.704   5.615  -0.812
  157   1HD   LYS  18           HD1      LYS  18 -11.155   6.201  -1.732
  158   2HD   LYS  18           HD2      LYS  18 -10.846   5.531  -0.135
  159   1HE   LYS  18           HE1      LYS  18 -12.520   7.096   0.828
  160   2HE   LYS  18           HE2      LYS  18 -12.790   7.777  -0.772
  161   1HZ   LYS  18           HZ1      LYS  18 -11.266   9.192   0.235
  162   2HZ   LYS  18           HZ2      LYS  18 -10.309   8.220  -0.776
  163   3HZ   LYS  18           HZ3      LYS  18 -10.357   7.919   0.895
  164    H    LYS  19           HN       LYS  19 -15.755   4.480  -2.879
  165    HA   LYS  19           HA       LYS  19 -16.741   4.625  -0.166
  166   1HB   LYS  19           HB1      LYS  19 -18.860   5.466  -1.568
  167   2HB   LYS  19           HB2      LYS  19 -17.705   5.503  -2.894
  168   1HG   LYS  19           HG1      LYS  19 -16.193   6.912  -1.468
  169   2HG   LYS  19           HG2      LYS  19 -17.455   6.958  -0.242
  170   1HD   LYS  19           HD1      LYS  19 -19.006   7.855  -2.081
  171   2HD   LYS  19           HD2      LYS  19 -17.554   8.087  -3.050
  172   1HE   LYS  19           HE1      LYS  19 -17.705  10.160  -1.996
  173   2HE   LYS  19           HE2      LYS  19 -16.665   9.297  -0.871
  174   1HZ   LYS  19           HZ1      LYS  19 -18.171   9.524   0.705
  175   2HZ   LYS  19           HZ2      LYS  19 -19.370   8.797  -0.253
  176   3HZ   LYS  19           HZ3      LYS  19 -19.110  10.473  -0.345
  177    H    HIS  20           HN       HIS  20 -17.658   2.922  -3.123
  178    HA   HIS  20           HA       HIS  20 -19.974   1.628  -2.159
  179   1HB   HIS  20           HB1      HIS  20 -17.857   0.616  -4.099
  180   2HB   HIS  20           HB2      HIS  20 -19.283   1.548  -4.547
  181    HD1  HIS  20           HD1      HIS  20 -21.251   0.086  -5.022
  182    HD2  HIS  20           HD2      HIS  20 -18.456  -1.936  -2.863
  183    HE1  HIS  20           HE1      HIS  20 -22.119  -2.194  -4.817
  184    H    ILE  21           HN       ILE  21 -16.612   0.444  -2.218
  185    HA   ILE  21           HA       ILE  21 -17.188  -1.995  -0.886
  186    HB   ILE  21           HB       ILE  21 -15.026  -1.500  -2.047
  187   1HG1  ILE  21          HG11      ILE  21 -15.139  -2.569   0.732
  188   2HG1  ILE  21          HG12      ILE  21 -13.542  -2.210   0.096
  189   1HG2  ILE  21          HG21      ILE  21 -14.793   0.832  -1.186
  190   2HG2  ILE  21          HG22      ILE  21 -13.339  -0.099  -0.892
  191   3HG2  ILE  21          HG23      ILE  21 -14.464   0.214   0.424
  192   1HD1  ILE  21           HD1      ILE  21 -13.859  -3.664  -1.777
  193   2HD1  ILE  21           HD2      ILE  21 -15.588  -3.795  -1.475
  194   3HD1  ILE  21           HD3      ILE  21 -14.442  -4.562  -0.380
  195    NH1  ARG  22           NH1      ARG  22 -14.280   6.428   4.411
  196    NH2  ARG  22           NH2      ARG  22 -14.871   5.286   6.300
  197    H    ARG  22           HN       ARG  22 -16.554   1.248   0.376
  198    HA   ARG  22           HA       ARG  22 -16.355   0.360   3.139
  199   1HB   ARG  22           HB1      ARG  22 -17.018   2.890   3.512
  200   2HB   ARG  22           HB2      ARG  22 -16.868   3.022   1.764
  201   1HG   ARG  22           HG1      ARG  22 -14.557   2.211   1.869
  202   2HG   ARG  22           HG2      ARG  22 -14.700   1.953   3.604
  203   1HD   ARG  22           HD1      ARG  22 -15.480   4.666   2.817
  204   2HD   ARG  22           HD2      ARG  22 -13.812   4.297   2.384
  205    HE   ARG  22           HE       ARG  22 -13.798   3.442   4.924
  206   1HH1  ARG  22          HH11      ARG  22 -13.968   6.409   3.461
  207   2HH1  ARG  22          HH12      ARG  22 -14.452   7.304   4.863
  208   1HH2  ARG  22          HH21      ARG  22 -15.000   4.411   6.767
  209   2HH2  ARG  22          HH22      ARG  22 -15.052   6.143   6.784
  210    H    THR  23           HN       THR  23 -19.001   0.776   0.992
  211    HA   THR  23           HA       THR  23 -20.979   1.378   3.013
  212    HB   THR  23           HB       THR  23 -21.343   0.012   0.274
  213    HG1  THR  23           HG1      THR  23 -20.869   2.580   1.233
  214   1HG2  THR  23          HG21      THR  23 -23.519  -0.097   1.258
  215   2HG2  THR  23          HG22      THR  23 -23.549   1.557   0.658
  216   3HG2  THR  23          HG23      THR  23 -23.194   1.239   2.353
  217    H    HIS  24           HN       HIS  24 -19.462  -1.569   1.927
  218    HA   HIS  24           HA       HIS  24 -21.505  -3.345   2.974
  219   1HB   HIS  24           HB1      HIS  24 -19.462  -4.999   2.952
  220   2HB   HIS  24           HB2      HIS  24 -18.571  -3.668   2.219
  221    HD1  HIS  24           HD1      HIS  24 -21.686  -5.641   1.517
  222    HD2  HIS  24           HD2      HIS  24 -18.938  -3.399  -0.492
  223    HE1  HIS  24           HE1      HIS  24 -22.235  -5.900  -0.876
  224    H    THR  25           HN       THR  25 -19.979  -1.127   4.622
  225    HA   THR  25           HA       THR  25 -19.087  -2.824   6.879
  226    HB   THR  25           HB       THR  25 -18.358  -0.542   7.784
  227    HG1  THR  25           HG1      THR  25 -19.799   0.106   5.478
  228   1HG2  THR  25          HG21      THR  25 -17.670  -1.107   4.855
  229   2HG2  THR  25          HG22      THR  25 -16.719  -1.618   6.244
  230   3HG2  THR  25          HG23      THR  25 -16.828   0.090   5.832
  231    H    ASP  26           HN       ASP  26 -20.149   0.167   7.836
  232    HA   ASP  26           HA       ASP  26 -22.913  -0.650   8.427
  233   1HB   ASP  26           HB1      ASP  26 -22.569  -0.200  10.890
  234   2HB   ASP  26           HB2      ASP  26 -20.845   0.005  10.593
  235    H    VAL  27           HN       VAL  27 -21.561   1.305   6.855
  236    HA   VAL  27           HA       VAL  27 -22.113   3.838   8.285
  237    HB   VAL  27           HB       VAL  27 -19.998   3.639   7.035
  238   1HG1  VAL  27          HG11      VAL  27 -20.813   1.934   5.405
  239   2HG1  VAL  27          HG12      VAL  27 -19.958   3.252   4.624
  240   3HG1  VAL  27          HG13      VAL  27 -21.714   3.187   4.576
  241   1HG2  VAL  27          HG21      VAL  27 -21.849   5.713   6.748
  242   2HG2  VAL  27          HG22      VAL  27 -21.287   5.414   5.107
  243   3HG2  VAL  27          HG23      VAL  27 -20.131   5.801   6.376
  244    NH1  ARG  28           NH2      ARG  28 -27.634  -1.559   2.292
  245    NH2  ARG  28           NH1      ARG  28 -26.522  -2.835   3.826
  246    H    ARG  28           HN       ARG  28 -24.396   2.438   7.829
  247    HA   ARG  28           HA       ARG  28 -25.709   3.866   5.550
  248   1HB   ARG  28           HB1      ARG  28 -27.440   1.975   5.852
  249   2HB   ARG  28           HB2      ARG  28 -26.283   1.221   6.942
  250   1HG   ARG  28           HG1      ARG  28 -24.599   1.542   4.962
  251   2HG   ARG  28           HG2      ARG  28 -26.046   1.706   3.980
  252   1HD   ARG  28           HD1      ARG  28 -26.709  -0.503   5.421
  253   2HD   ARG  28           HD2      ARG  28 -24.959  -0.696   5.350
  254    HE   ARG  28           HE       ARG  28 -25.419  -0.251   2.761
  255   1HH1  ARG  28          HH21      ARG  28 -27.744  -0.680   1.827
  256   2HH1  ARG  28          HH22      ARG  28 -28.239  -2.323   2.066
  257   1HH2  ARG  28          HH11      ARG  28 -25.797  -2.914   4.511
  258   2HH2  ARG  28          HH12      ARG  28 -27.108  -3.621   3.626
  259    HA   PRO  29           HA       PRO  29 -27.465   5.637   9.470
  260   1HB   PRO  29           HB1      PRO  29 -26.822   7.833   9.301
  261   2HB   PRO  29           HB2      PRO  29 -28.009   8.089   8.022
  262   1HG   PRO  29           HG1      PRO  29 -25.123   7.885   7.765
  263   2HG   PRO  29           HG2      PRO  29 -26.303   8.217   6.496
  264   1HD   PRO  29           HD1      PRO  29 -26.107   6.093   5.697
  265   2HD   PRO  29           HD2      PRO  29 -24.818   5.803   6.876
  266    OH   TYR  30           OH       TYR  30 -29.104  10.635   3.136
  267    H    TYR  30           HN       TYR  30 -28.687   5.447   6.208
  268    HA   TYR  30           HA       TYR  30 -31.395   6.282   6.929
  269   1HB   TYR  30           HB1      TYR  30 -31.947   5.409   4.623
  270   2HB   TYR  30           HB2      TYR  30 -30.314   4.774   4.494
  271    HD1  TYR  30           HD1      TYR  30 -32.052   7.991   5.331
  272    HD2  TYR  30           HD2      TYR  30 -28.704   6.141   3.469
  273    HE1  TYR  30           HE1      TYR  30 -31.272  10.180   4.550
  274    HE2  TYR  30           HE2      TYR  30 -27.923   8.329   2.695
  275    HH   TYR  30           HH       TYR  30 -29.738  10.968   2.496
  276    H    HIS  31           HN       HIS  31 -32.008   4.940   8.657
  277    HA   HIS  31           HA       HIS  31 -32.148   2.012   8.108
  278   1HB   HIS  31           HB1      HIS  31 -32.489   1.765  10.501
  279   2HB   HIS  31           HB2      HIS  31 -32.879   3.473  10.686
  280    HD1  HIS  31           HD1      HIS  31 -29.972   1.316  10.004
  281    HD2  HIS  31           HD2      HIS  31 -30.711   5.178  10.994
  282    HE1  HIS  31           HE1      HIS  31 -27.793   2.255  10.513
  283    H    CYS  32           HN       CYS  32 -34.052   0.941   7.834
  284    HA   CYS  32           HA       CYS  32 -36.395   2.363   7.093
  285   1HB   CYS  32           HB1      CYS  32 -35.832  -0.496   7.933
  286   2HB   CYS  32           HB2      CYS  32 -36.235   0.104   6.345
  287    H    THR  33           HN       THR  33 -38.418   2.572   8.173
  288    HA   THR  33           HA       THR  33 -38.080   3.134  11.032
  289    HB   THR  33           HB       THR  33 -40.697   3.297   9.444
  290    HG1  THR  33           HG1      THR  33 -39.786   5.487   9.084
  291   1HG2  THR  33          HG21      THR  33 -40.657   3.871  11.949
  292   2HG2  THR  33          HG22      THR  33 -41.040   5.261  10.939
  293   3HG2  THR  33          HG23      THR  33 -39.419   5.071  11.599
  294    OH   TYR  34           OH       TYR  34 -44.762   2.420   9.215
  295    H    TYR  34           HN       TYR  34 -38.281   0.334   9.699
  296    HA   TYR  34           HA       TYR  34 -39.995  -0.784  11.853
  297   1HB   TYR  34           HB1      TYR  34 -41.060  -2.350  10.225
  298   2HB   TYR  34           HB2      TYR  34 -40.163  -1.608   8.909
  299    HD1  TYR  34           HD2      TYR  34 -40.610   0.836   8.358
  300    HD2  TYR  34           HD1      TYR  34 -43.078  -1.370  11.029
  301    HE1  TYR  34           HE2      TYR  34 -42.404   2.482   8.063
  302    HE2  TYR  34           HE1      TYR  34 -44.870   0.278  10.731
  303    HH   TYR  34           HH       TYR  34 -45.602   1.957   9.263
  304    H    CYS  35           HN       CYS  35 -38.208  -1.942   9.009
  305    HA   CYS  35           HA       CYS  35 -37.199  -4.280  10.339
  306   1HB   CYS  35           HB1      CYS  35 -35.792  -4.522   8.361
  307   2HB   CYS  35           HB2      CYS  35 -35.981  -2.839   7.960
  308    H    ASN  36           HN       ASN  36 -34.662  -4.567   9.966
  309    HA   ASN  36           HA       ASN  36 -33.374  -2.431  11.614
  310   1HB   ASN  36           HB1      ASN  36 -32.278  -5.243  11.319
  311   2HB   ASN  36           HB2      ASN  36 -33.651  -4.980  12.392
  312   1HD2  ASN  36          HD21      ASN  36 -30.382  -5.218  12.505
  313   2HD2  ASN  36          HD22      ASN  36 -30.044  -4.169  13.796
  314    H    PHE  37           HN       PHE  37 -33.697  -3.274   8.571
  315    HA   PHE  37           HA       PHE  37 -30.880  -3.406   7.754
  316   1HB   PHE  37           HB1      PHE  37 -33.167  -2.827   5.859
  317   2HB   PHE  37           HB2      PHE  37 -33.071  -4.424   6.600
  318    HD1  PHE  37           HD2      PHE  37 -30.902  -5.748   6.339
  319    HD2  PHE  37           HD1      PHE  37 -31.716  -2.240   4.069
  320    HE1  PHE  37           HE2      PHE  37 -29.176  -6.395   4.714
  321    HE2  PHE  37           HE1      PHE  37 -29.987  -2.889   2.449
  322    HZ   PHE  37           HZ       PHE  37 -28.716  -4.965   2.772
  323    H    SER  38           HN       SER  38 -30.015  -1.825   6.200
  324    HA   SER  38           HA       SER  38 -31.292   0.823   6.294
  325   1HB   SER  38           HB1      SER  38 -28.428   0.411   7.274
  326   2HB   SER  38           HB2      SER  38 -29.814   0.628   8.356
  327    HG   SER  38           HG1      SER  38 -29.399   2.676   7.985
  328    H    PHE  39           HN       PHE  39 -29.989   2.436   5.033
  329    HA   PHE  39           HA       PHE  39 -28.450   1.117   2.847
  330   1HB   PHE  39           HB1      PHE  39 -29.799   2.250   1.200
  331   2HB   PHE  39           HB2      PHE  39 -30.514   3.306   2.416
  332    HD1  PHE  39           HD2      PHE  39 -32.061   2.318   4.142
  333    HD2  PHE  39           HD1      PHE  39 -30.715   0.046   0.805
  334    HE1  PHE  39           HE2      PHE  39 -33.860   0.695   4.525
  335    HE2  PHE  39           HE1      PHE  39 -32.522  -1.576   1.189
  336    HZ   PHE  39           HZ       PHE  39 -34.087  -1.257   3.059
  337    H    LYS  40           HN       LYS  40 -27.148   2.598   1.608
  338    HA   LYS  40           HA       LYS  40 -25.954   4.659   3.332
  339   1HB   LYS  40           HB1      LYS  40 -25.283   3.536   0.568
  340   2HB   LYS  40           HB2      LYS  40 -24.485   3.151   2.077
  341   1HG   LYS  40           HG1      LYS  40 -24.439   5.851   0.681
  342   2HG   LYS  40           HG2      LYS  40 -23.103   4.721   0.810
  343   1HD   LYS  40           HD1      LYS  40 -23.482   4.904   3.373
  344   2HD   LYS  40           HD2      LYS  40 -24.367   6.371   2.987
  345   1HE   LYS  40           HE1      LYS  40 -22.006   6.898   3.440
  346   2HE   LYS  40           HE2      LYS  40 -22.386   7.221   1.754
  347   1HZ   LYS  40           HZ1      LYS  40 -20.511   5.401   2.851
  348   2HZ   LYS  40           HZ2      LYS  40 -20.711   5.900   1.240
  349   3HZ   LYS  40           HZ3      LYS  40 -21.607   4.588   1.839
  350    H    THR  41           HN       THR  41 -28.239   4.482   0.815
  351    HA   THR  41           HA       THR  41 -28.087   7.453   0.483
  352    HB   THR  41           HB       THR  41 -28.505   7.205  -1.890
  353    HG1  THR  41           HG1      THR  41 -29.077   4.948  -2.526
  354   1HG2  THR  41          HG21      THR  41 -27.057   4.566  -1.342
  355   2HG2  THR  41          HG22      THR  41 -26.227   6.088  -1.034
  356   3HG2  THR  41          HG23      THR  41 -26.770   5.696  -2.662
  357    H    LYS  42           HN       LYS  42 -30.080   8.478  -0.017
  358    HA   LYS  42           HA       LYS  42 -32.277   7.358   1.482
  359   1HB   LYS  42           HB1      LYS  42 -31.986   9.874  -0.219
  360   2HB   LYS  42           HB2      LYS  42 -31.885   9.780   1.535
  361   1HG   LYS  42           HG1      LYS  42 -34.286   8.837   1.451
  362   2HG   LYS  42           HG2      LYS  42 -34.322   9.401  -0.217
  363   1HD   LYS  42           HD1      LYS  42 -33.782  11.688   0.532
  364   2HD   LYS  42           HD2      LYS  42 -33.702  11.133   2.200
  365   1HE   LYS  42           HE1      LYS  42 -35.918  12.206   1.456
  366   2HE   LYS  42           HE2      LYS  42 -36.035  10.647   2.261
  367   1HZ   LYS  42           HZ1      LYS  42 -35.799  10.727  -0.662
  368   2HZ   LYS  42           HZ2      LYS  42 -37.297  11.083   0.055
  369   3HZ   LYS  42           HZ3      LYS  42 -36.560   9.578   0.331
  370    H    GLY  43           HN       GLY  43 -31.271   7.340  -1.787
  371   1HA   GLY  43           HA1      GLY  43 -32.274   6.434  -3.709
  372   2HA   GLY  43           HA2      GLY  43 -33.781   7.129  -3.120
  373    H    ASN  44           HN       ASN  44 -31.595   4.484  -2.168
  374    HA   ASN  44           HA       ASN  44 -33.319   2.356  -2.708
  375   1HB   ASN  44           HB1      ASN  44 -32.021   1.262  -0.696
  376   2HB   ASN  44           HB2      ASN  44 -31.144   2.787  -0.636
  377   1HD2  ASN  44          HD21      ASN  44 -30.689   3.482  -3.217
  378   2HD2  ASN  44          HD22      ASN  44 -29.861   2.264  -4.060
  379    H    LEU  45           HN       LEU  45 -33.260   4.509   0.062
  380    HA   LEU  45           HA       LEU  45 -34.893   3.048   1.838
  381   1HB   LEU  45           HB1      LEU  45 -35.192   6.039   1.406
  382   2HB   LEU  45           HB2      LEU  45 -33.691   5.399   2.050
  383    HG   LEU  45           HG       LEU  45 -35.285   6.118   3.845
  384   1HD1  LEU  45          HD11      LEU  45 -37.032   3.773   3.040
  385   2HD1  LEU  45          HD12      LEU  45 -37.342   5.410   2.477
  386   3HD1  LEU  45          HD13      LEU  45 -37.381   5.047   4.197
  387   1HD2  LEU  45          HD21      LEU  45 -34.656   4.407   5.255
  388   2HD2  LEU  45          HD22      LEU  45 -33.654   3.982   3.879
  389   3HD2  LEU  45          HD23      LEU  45 -35.169   3.141   4.150
  390    H    THR  46           HN       THR  46 -35.960   5.625  -0.388
  391    HA   THR  46           HA       THR  46 -38.724   5.196  -0.098
  392    HB   THR  46           HB       THR  46 -37.259   5.974  -2.694
  393    HG1  THR  46           HG1      THR  46 -36.625   7.158  -0.842
  394   1HG2  THR  46          HG21      THR  46 -39.311   7.031  -3.298
  395   2HG2  THR  46          HG22      THR  46 -39.839   7.165  -1.624
  396   3HG2  THR  46          HG23      THR  46 -39.938   5.617  -2.458
  397    H    LYS  47           HN       LYS  47 -36.357   3.495  -2.039
  398    HA   LYS  47           HA       LYS  47 -38.238   2.006  -3.624
  399   1HB   LYS  47           HB1      LYS  47 -35.501   0.989  -2.762
  400   2HB   LYS  47           HB2      LYS  47 -35.651   2.301  -3.925
  401   1HG   LYS  47           HG1      LYS  47 -37.395  -0.018  -4.479
  402   2HG   LYS  47           HG2      LYS  47 -35.673  -0.366  -4.586
  403   1HD   LYS  47           HD1      LYS  47 -35.352   1.474  -6.158
  404   2HD   LYS  47           HD2      LYS  47 -37.031   1.968  -5.974
  405   1HE   LYS  47           HE1      LYS  47 -36.373   0.471  -8.021
  406   2HE   LYS  47           HE2      LYS  47 -37.844   0.094  -7.134
  407   1HZ   LYS  47           HZ1      LYS  47 -36.883  -1.708  -6.120
  408   2HZ   LYS  47           HZ2      LYS  47 -35.298  -1.141  -6.339
  409   3HZ   LYS  47           HZ3      LYS  47 -36.166  -1.765  -7.658
  410    H    HIS  48           HN       HIS  48 -36.872   1.540  -0.428
  411    HA   HIS  48           HA       HIS  48 -37.980  -1.178  -0.241
  412   1HB   HIS  48           HB1      HIS  48 -36.557   0.654   1.752
  413   2HB   HIS  48           HB2      HIS  48 -35.899  -0.776   0.962
  414    HD1  HIS  48           HD1      HIS  48 -37.468  -2.975   1.597
  415    HD2  HIS  48           HD2      HIS  48 -37.525   0.115   4.274
  416    HE1  HIS  48           HE1      HIS  48 -38.298  -3.939   3.685
  417    H    MET  49           HN       MET  49 -38.985   2.036   0.420
  418    HA   MET  49           HA       MET  49 -41.071   1.138   2.314
  419   1HB   MET  49           HB1      MET  49 -41.673   3.696   2.087
  420   2HB   MET  49           HB2      MET  49 -40.129   3.823   1.252
  421   1HG   MET  49           HG1      MET  49 -39.653   4.265   3.529
  422   2HG   MET  49           HG2      MET  49 -39.080   2.648   3.220
  423   1HE   MET  49           HE1      MET  49 -40.057   4.004   6.554
  424   2HE   MET  49           HE2      MET  49 -38.747   3.391   5.545
  425   3HE   MET  49           HE3      MET  49 -39.535   2.326   6.710
  426    H    LYS  50           HN       LYS  50 -40.707   2.090  -1.021
  427    HA   LYS  50           HA       LYS  50 -43.458   2.608  -1.594
  428   1HB   LYS  50           HB1      LYS  50 -41.570   1.263  -3.560
  429   2HB   LYS  50           HB2      LYS  50 -41.288   2.929  -3.067
  430   1HG   LYS  50           HG1      LYS  50 -44.066   2.205  -3.895
  431   2HG   LYS  50           HG2      LYS  50 -42.853   2.317  -5.165
  432   1HD   LYS  50           HD1      LYS  50 -42.265   4.588  -4.449
  433   2HD   LYS  50           HD2      LYS  50 -43.391   4.479  -3.101
  434   1HE   LYS  50           HE1      LYS  50 -45.173   4.950  -4.423
  435   2HE   LYS  50           HE2      LYS  50 -44.648   3.819  -5.664
  436   1HZ   LYS  50           HZ1      LYS  50 -44.706   6.205  -6.337
  437   2HZ   LYS  50           HZ2      LYS  50 -43.221   5.425  -6.596
  438   3HZ   LYS  50           HZ3      LYS  50 -43.408   6.479  -5.277
  439    H    SER  51           HN       SER  51 -41.628  -0.344  -1.264
  440    HA   SER  51           HA       SER  51 -43.478  -2.108  -2.540
  441   1HB   SER  51           HB1      SER  51 -41.454  -2.507  -0.277
  442   2HB   SER  51           HB2      SER  51 -41.277  -2.978  -1.978
  443    HG   SER  51           HG1      SER  51 -42.153  -4.781  -1.328
  444    H    LYS  52           HN       LYS  52 -45.031  -3.507  -1.597
  445    HA   LYS  52           HA       LYS  52 -46.687  -2.185   0.377
  446   1HB   LYS  52           HB1      LYS  52 -47.728  -3.545  -1.381
  447   2HB   LYS  52           HB2      LYS  52 -48.064  -4.318   0.163
  448   1HG   LYS  52           HG1      LYS  52 -46.109  -5.829  -0.200
  449   2HG   LYS  52           HG2      LYS  52 -45.860  -5.091  -1.778
  450   1HD   LYS  52           HD1      LYS  52 -47.232  -6.775  -2.497
  451   2HD   LYS  52           HD2      LYS  52 -48.511  -5.705  -1.935
  452   1HE   LYS  52           HE1      LYS  52 -47.251  -8.026  -0.452
  453   2HE   LYS  52           HE2      LYS  52 -48.937  -7.836  -0.918
  454   1HZ   LYS  52           HZ1      LYS  52 -48.729  -7.350   1.382
  455   2HZ   LYS  52           HZ2      LYS  52 -49.025  -5.886   0.575
  456   3HZ   LYS  52           HZ3      LYS  52 -47.457  -6.260   1.108
  457    H    ALA  53           HN       ALA  53 -43.897  -3.329   1.045
  458    HA   ALA  53           HA       ALA  53 -44.106  -5.473   2.850
  459   1HB   ALA  53           HB1      ALA  53 -42.367  -2.961   2.947
  460   2HB   ALA  53           HB2      ALA  53 -41.924  -4.524   2.268
  461   3HB   ALA  53           HB3      ALA  53 -42.121  -4.344   4.008
  462    H    HIS  54           HN       HIS  54 -43.492  -2.318   4.270
  463    HA   HIS  54           HA       HIS  54 -45.967  -2.530   5.866
  464   1HB   HIS  54           HB1      HIS  54 -44.638  -3.578   7.455
  465   2HB   HIS  54           HB2      HIS  54 -44.263  -1.913   7.872
  466    HD1  HIS  54           HD1      HIS  54 -42.746  -4.901   6.474
  467    HD2  HIS  54           HD2      HIS  54 -41.665  -0.980   6.904
  468    HE1  HIS  54           HE1      HIS  54 -40.319  -4.854   6.169
  469    H    SER  55           HN       SER  55 -46.613  -0.673   4.784
  470    HA   SER  55           HA       SER  55 -45.486   1.794   5.966
  471   1HB   SER  55           HB1      SER  55 -45.687   1.187   2.972
  472   2HB   SER  55           HB2      SER  55 -44.273   1.775   3.868
  473    HG   SER  55           HG1      SER  55 -45.527   3.431   2.743
  474    H    LYS  56           HN       LYS  56 -47.665   1.205   7.001
  475    HA   LYS  56           HA       LYS  56 -50.048   1.745   5.415
  476   1HB   LYS  56           HB1      LYS  56 -51.209   1.587   7.605
  477   2HB   LYS  56           HB2      LYS  56 -49.668   1.684   8.449
  478   1HG   LYS  56           HG1      LYS  56 -48.948  -0.405   7.239
  479   2HG   LYS  56           HG2      LYS  56 -50.575  -0.528   6.578
  480   1HD   LYS  56           HD1      LYS  56 -50.845  -1.832   8.473
  481   2HD   LYS  56           HD2      LYS  56 -51.245  -0.259   9.153
  482   1HE   LYS  56           HE1      LYS  56 -49.649  -0.987  10.684
  483   2HE   LYS  56           HE2      LYS  56 -48.627  -0.117   9.547
  484   1HZ   LYS  56           HZ1      LYS  56 -48.517  -2.812  10.257
  485   2HZ   LYS  56           HZ2      LYS  56 -47.533  -1.973   9.156
  486   3HZ   LYS  56           HZ3      LYS  56 -48.952  -2.734   8.618
  487    H    LYS  57           HN       LYS  57 -48.399   3.858   5.002
  488    HA   LYS  57           HA       LYS  57 -48.590   6.049   6.740
  489   1HB   LYS  57           HB1      LYS  57 -48.860   6.369   3.735
  490   2HB   LYS  57           HB2      LYS  57 -47.360   5.755   4.422
  491   1HG   LYS  57           HG1      LYS  57 -47.238   7.769   5.888
  492   2HG   LYS  57           HG2      LYS  57 -48.696   8.391   5.123
  493   1HD   LYS  57           HD1      LYS  57 -47.444   8.137   2.891
  494   2HD   LYS  57           HD2      LYS  57 -45.989   7.913   3.856
  495   1HE   LYS  57           HE1      LYS  57 -47.665  10.359   3.490
  496   2HE   LYS  57           HE2      LYS  57 -45.917  10.212   3.614
  497   1HZ   LYS  57           HZ1      LYS  57 -45.997  10.101   5.898
  498   2HZ   LYS  57           HZ2      LYS  57 -47.626   9.623   5.937
  499   3HZ   LYS  57                 LYS  57 -47.220  11.227   5.555
   
  Start of MODEL          32
 Raw file had 499 H/Q atoms
  Start of MODEL   32
    1   1H    LYS   1           HT1      LYS   1 -14.673 -11.742  -7.756
    2   2H    LYS   1           HT2      LYS   1 -13.526 -12.291  -6.630
    3   3H    LYS   1           HT3      LYS   1 -13.285 -12.564  -8.289
    4    HA   LYS   1           HA       LYS   1 -11.952 -10.717  -7.235
    5   1HB   LYS   1           HB1      LYS   1 -12.180  -9.327  -9.249
    6   2HB   LYS   1           HB2      LYS   1 -13.790  -9.966  -9.561
    7   1HG   LYS   1           HG1      LYS   1 -12.984 -12.020 -10.291
    8   2HG   LYS   1           HG2      LYS   1 -11.517 -11.905  -9.326
    9   1HD   LYS   1           HD1      LYS   1 -11.074 -11.609 -11.768
   10   2HD   LYS   1           HD2      LYS   1 -10.619 -10.193 -10.829
   11   1HE   LYS   1           HE1      LYS   1 -12.011  -9.823 -12.996
   12   2HE   LYS   1           HE2      LYS   1 -12.504  -8.963 -11.542
   13   1HZ   LYS   1           HZ1      LYS   1 -13.652 -11.603 -11.927
   14   2HZ   LYS   1           HZ2      LYS   1 -14.164 -10.399 -13.009
   15   3HZ   LYS   1           HZ3      LYS   1 -14.365 -10.179 -11.337
   16    OH   TYR   2           OH       TYR   2  -8.661  -5.060  -7.046
   17    H    TYR   2           HN       TYR   2 -13.571  -8.309  -8.524
   18    HA   TYR   2           HA       TYR   2 -14.389  -7.279  -5.894
   19   1HB   TYR   2           HB1      TYR   2 -14.782  -5.171  -7.171
   20   2HB   TYR   2           HB2      TYR   2 -14.485  -6.030  -8.679
   21    HD1  TYR   2           HD2      TYR   2 -12.908  -5.008  -5.477
   22    HD2  TYR   2           HD1      TYR   2 -12.254  -6.450  -9.423
   23    HE1  TYR   2           HE2      TYR   2 -10.504  -4.586  -5.233
   24    HE2  TYR   2           HE1      TYR   2  -9.850  -6.041  -9.175
   25    HH   TYR   2           HH       TYR   2  -8.195  -5.673  -7.620
   26    H    ILE   3           HN       ILE   3 -16.011  -9.336  -6.417
   27    HA   ILE   3           HA       ILE   3 -18.586  -8.037  -7.221
   28    HB   ILE   3           HB       ILE   3 -17.945 -11.017  -7.349
   29   1HG1  ILE   3          HG11      ILE   3 -16.397  -9.834  -8.839
   30   2HG1  ILE   3          HG12      ILE   3 -17.730  -8.924  -9.543
   31   1HG2  ILE   3          HG21      ILE   3 -19.970  -9.418  -8.969
   32   2HG2  ILE   3          HG22      ILE   3 -20.368  -9.986  -7.350
   33   3HG2  ILE   3          HG23      ILE   3 -19.978 -11.144  -8.618
   34   1HD1  ILE   3           HD1      ILE   3 -18.663 -10.863 -10.557
   35   2HD1  ILE   3           HD2      ILE   3 -17.714 -11.949  -9.546
   36   3HD1  ILE   3           HD3      ILE   3 -16.930 -11.026 -10.825
   37    H    CYS   4           HN       CYS   4 -19.812  -7.696  -5.460
   38    HA   CYS   4           HA       CYS   4 -19.285  -8.957  -2.963
   39   1HB   CYS   4           HB1      CYS   4 -21.745  -7.536  -4.007
   40   2HB   CYS   4           HB2      CYS   4 -20.489  -6.855  -3.013
   41    H    GLU   5           HN       GLU   5 -19.492 -11.018  -2.603
   42    HA   GLU   5           HA       GLU   5 -21.087 -12.813  -4.102
   43   1HB   GLU   5           HB1      GLU   5 -20.739 -14.278  -1.938
   44   2HB   GLU   5           HB2      GLU   5 -19.752 -12.932  -1.382
   45   1HG   GLU   5           HG1      GLU   5 -19.336 -14.637  -3.852
   46   2HG   GLU   5           HG2      GLU   5 -18.240 -14.426  -2.490
   47    H    GLU   6           HN       GLU   6 -21.962 -10.669  -1.562
   48    HA   GLU   6           HA       GLU   6 -24.299 -12.208  -0.777
   49   1HB   GLU   6           HB1      GLU   6 -23.861  -9.280  -0.144
   50   2HB   GLU   6           HB2      GLU   6 -22.887 -10.507   0.657
   51   1HG   GLU   6           HG1      GLU   6 -24.917 -11.621   1.480
   52   2HG   GLU   6           HG2      GLU   6 -25.926 -10.459   0.621
   53    H    CYS   7           HN       CYS   7 -24.018  -8.872  -2.003
   54    HA   CYS   7           HA       CYS   7 -26.749  -8.981  -3.018
   55   1HB   CYS   7           HB1      CYS   7 -26.350  -6.732  -3.774
   56   2HB   CYS   7           HB2      CYS   7 -24.627  -6.960  -3.790
   57    H    GLY   8           HN       GLY   8 -23.558  -8.651  -4.525
   58   1HA   GLY   8           HA1      GLY   8 -24.686  -9.909  -6.994
   59   2HA   GLY   8           HA2      GLY   8 -23.022 -10.127  -6.458
   60    H    ILE   9           HN       ILE   9 -23.151  -7.151  -5.643
   61    HA   ILE   9           HA       ILE   9 -23.476  -5.642  -8.029
   62    HB   ILE   9           HB       ILE   9 -23.249  -4.847  -5.533
   63   1HG1  ILE   9          HG11      ILE   9 -22.220  -3.520  -8.013
   64   2HG1  ILE   9          HG12      ILE   9 -21.969  -2.709  -6.471
   65   1HG2  ILE   9          HG21      ILE   9 -20.329  -4.554  -6.384
   66   2HG2  ILE   9          HG22      ILE   9 -20.869  -5.933  -5.434
   67   3HG2  ILE   9          HG23      ILE   9 -21.019  -4.310  -4.787
   68   1HD1  ILE   9           HD1      ILE   9 -24.683  -3.826  -7.138
   69   2HD1  ILE   9           HD2      ILE   9 -24.193  -2.273  -7.808
   70   3HD1  ILE   9           HD3      ILE   9 -24.269  -2.495  -6.063
   71    NH1  ARG  10           NH2      ARG  10 -20.340  -9.154 -15.571
   72    NH2  ARG  10           NH1      ARG  10 -19.608 -10.819 -14.188
   73    H    ARG  10           HN       ARG  10 -22.185  -5.317  -9.731
   74    HA   ARG  10           HA       ARG  10 -19.517  -6.662  -9.695
   75   1HB   ARG  10           HB1      ARG  10 -21.084  -5.664 -12.113
   76   2HB   ARG  10           HB2      ARG  10 -21.324  -7.269 -11.434
   77   1HG   ARG  10           HG1      ARG  10 -18.489  -6.640 -11.820
   78   2HG   ARG  10           HG2      ARG  10 -19.396  -6.568 -13.326
   79   1HD   ARG  10           HD1      ARG  10 -19.639  -8.896 -11.399
   80   2HD   ARG  10           HD2      ARG  10 -18.459  -8.870 -12.707
   81    HE   ARG  10           HE       ARG  10 -21.407  -8.675 -13.192
   82   1HH1  ARG  10          HH21      ARG  10 -20.747  -8.247 -15.678
   83   2HH1  ARG  10          HH22      ARG  10 -20.088  -9.687 -16.379
   84   1HH2  ARG  10          HH11      ARG  10 -19.467 -11.161 -13.260
   85   2HH2  ARG  10          HH12      ARG  10 -19.344 -11.380 -14.973
   86    H    ABA  11           HN       ABU  11 -18.048  -5.192  -9.047
   87    HA   ABA  11           HA       ABU  11 -18.009  -2.576 -10.520
   88   1HB   ABA  11           HB1      ABU  11 -16.932  -1.636  -8.496
   89   2HB   ABA  11           HB2      ABU  11 -16.993  -3.198  -7.713
   90   1HG   ABA  11           HG1      ABU  11 -18.893  -1.991  -6.889
   91   2HG   ABA  11           HG2      ABU  11 -19.531  -3.128  -8.073
   92   3HG   ABA  11           HG3      ABU  11 -19.320  -1.432  -8.503
   93    H    LYS  12           HN       LYS  12 -16.565  -2.932 -12.071
   94    HA   LYS  12           HA       LYS  12 -14.291  -4.610 -11.878
   95   1HB   LYS  12           HB1      LYS  12 -13.594  -3.490 -13.982
   96   2HB   LYS  12           HB2      LYS  12 -14.758  -2.203 -13.691
   97   1HG   LYS  12           HG1      LYS  12 -16.606  -3.834 -13.785
   98   2HG   LYS  12           HG2      LYS  12 -15.454  -5.140 -14.033
   99   1HD   LYS  12           HD1      LYS  12 -14.665  -3.974 -16.116
  100   2HD   LYS  12           HD2      LYS  12 -15.946  -2.788 -15.889
  101   1HE   LYS  12           HE1      LYS  12 -16.201  -5.734 -16.504
  102   2HE   LYS  12           HE2      LYS  12 -16.902  -4.372 -17.369
  103   1HZ   LYS  12           HZ1      LYS  12 -18.105  -3.965 -15.135
  104   2HZ   LYS  12           HZ2      LYS  12 -17.751  -5.600 -14.841
  105   3HZ   LYS  12           HZ3      LYS  12 -18.680  -5.162 -16.193
  106    H    LYS  13           HN       LYS  13 -14.696  -2.091  -9.956
  107    HA   LYS  13           HA       LYS  13 -11.789  -1.498  -9.948
  108   1HB   LYS  13           HB1      LYS  13 -12.472   0.933  -9.364
  109   2HB   LYS  13           HB2      LYS  13 -14.087   0.488  -9.906
  110   1HG   LYS  13           HG1      LYS  13 -13.156  -0.175 -12.109
  111   2HG   LYS  13           HG2      LYS  13 -11.549   0.286 -11.565
  112   1HD   LYS  13           HD1      LYS  13 -13.672   2.349 -11.248
  113   2HD   LYS  13           HD2      LYS  13 -13.195   1.981 -12.899
  114   1HE   LYS  13           HE1      LYS  13 -11.171   2.550 -10.721
  115   2HE   LYS  13           HE2      LYS  13 -11.856   3.823 -11.722
  116   1HZ   LYS  13           HZ1      LYS  13 -11.108   1.963 -13.533
  117   2HZ   LYS  13           HZ2      LYS  13  -9.876   1.851 -12.368
  118   3HZ   LYS  13           HZ3      LYS  13 -10.209   3.341 -13.110
  119    HA   PRO  14           HA       PRO  14 -12.136  -2.231  -5.585
  120   1HB   PRO  14           HB1      PRO  14  -9.904  -1.979  -5.050
  121   2HB   PRO  14           HB2      PRO  14 -10.215  -0.271  -4.744
  122   1HG   PRO  14           HG1      PRO  14  -8.618  -1.321  -6.836
  123   2HG   PRO  14           HG2      PRO  14  -9.182   0.346  -6.700
  124   1HD   PRO  14           HD1      PRO  14 -10.446  -0.026  -8.577
  125   2HD   PRO  14           HD2      PRO  14 -10.090  -1.764  -8.512
  126    H    SER  15           HN       SER  15 -11.249   1.209  -5.759
  127    HA   SER  15           HA       SER  15 -12.558   2.335  -3.698
  128   1HB   SER  15           HB1      SER  15 -11.471   3.476  -5.817
  129   2HB   SER  15           HB2      SER  15 -12.771   4.364  -5.001
  130    HG   SER  15           HG1      SER  15 -14.117   3.882  -6.575
  131    H    MET  16           HN       MET  16 -14.243   1.318  -6.647
  132    HA   MET  16           HA       MET  16 -16.832   2.176  -5.721
  133   1HB   MET  16           HB1      MET  16 -17.548   0.395  -7.533
  134   2HB   MET  16           HB2      MET  16 -15.821   0.283  -7.863
  135   1HG   MET  16           HG1      MET  16 -15.745   2.735  -8.180
  136   2HG   MET  16           HG2      MET  16 -17.463   2.819  -7.902
  137   1HE   MET  16           HE1      MET  16 -19.063   1.481  -9.047
  138   2HE   MET  16           HE2      MET  16 -19.128   1.263 -10.797
  139   3HE   MET  16           HE3      MET  16 -19.210   2.885 -10.107
  140    H    LEU  17           HN       LEU  17 -15.318  -1.062  -5.900
  141    HA   LEU  17           HA       LEU  17 -17.458  -2.357  -4.488
  142   1HB   LEU  17           HB1      LEU  17 -14.548  -3.263  -4.478
  143   2HB   LEU  17           HB2      LEU  17 -15.509  -3.373  -5.932
  144    HG   LEU  17           HG       LEU  17 -15.445  -5.519  -4.600
  145   1HD1  LEU  17          HD11      LEU  17 -15.487  -4.281  -2.370
  146   2HD1  LEU  17          HD12      LEU  17 -16.499  -5.712  -2.491
  147   3HD1  LEU  17          HD13      LEU  17 -17.222  -4.118  -2.606
  148   1HD2  LEU  17          HD21      LEU  17 -18.290  -4.497  -4.590
  149   2HD2  LEU  17          HD22      LEU  17 -17.696  -6.103  -4.978
  150   3HD2  LEU  17          HD23      LEU  17 -17.435  -4.776  -6.094
  151    H    LYS  18           HN       LYS  18 -14.179  -1.440  -3.460
  152    HA   LYS  18           HA       LYS  18 -14.081  -2.017  -0.828
  153   1HB   LYS  18           HB1      LYS  18 -13.097   0.438  -0.545
  154   2HB   LYS  18           HB2      LYS  18 -13.345   0.543  -2.282
  155   1HG   LYS  18           HG1      LYS  18 -11.902  -1.362  -2.673
  156   2HG   LYS  18           HG2      LYS  18 -11.796  -1.700  -0.950
  157   1HD   LYS  18           HD1      LYS  18 -11.048   1.058  -1.557
  158   2HD   LYS  18           HD2      LYS  18 -10.039  -0.096  -2.420
  159   1HE   LYS  18           HE1      LYS  18  -9.611  -1.293  -0.272
  160   2HE   LYS  18           HE2      LYS  18 -10.563  -0.076   0.572
  161   1HZ   LYS  18           HZ1      LYS  18  -8.943   1.558  -0.547
  162   2HZ   LYS  18           HZ2      LYS  18  -7.946   0.198  -0.739
  163   3HZ   LYS  18           HZ3      LYS  18  -8.426   0.685   0.815
  164    H    LYS  19           HN       LYS  19 -15.756   0.895  -2.032
  165    HA   LYS  19           HA       LYS  19 -16.785   1.576   0.545
  166   1HB   LYS  19           HB1      LYS  19 -18.576   2.710  -1.208
  167   2HB   LYS  19           HB2      LYS  19 -17.212   2.428  -2.284
  168   1HG   LYS  19           HG1      LYS  19 -15.720   3.615  -0.695
  169   2HG   LYS  19           HG2      LYS  19 -17.093   3.909   0.367
  170   1HD   LYS  19           HD1      LYS  19 -18.037   4.826  -2.057
  171   2HD   LYS  19           HD2      LYS  19 -16.336   5.269  -2.135
  172   1HE   LYS  19           HE1      LYS  19 -16.629   6.223   0.230
  173   2HE   LYS  19           HE2      LYS  19 -18.361   6.039  -0.017
  174   1HZ   LYS  19           HZ1      LYS  19 -16.507   7.657  -1.672
  175   2HZ   LYS  19           HZ2      LYS  19 -17.687   8.245  -0.601
  176   3HZ   LYS  19           HZ3      LYS  19 -18.155   7.423  -2.012
  177    H    HIS  20           HN       HIS  20 -18.043  -0.325  -2.145
  178    HA   HIS  20           HA       HIS  20 -20.693  -0.636  -1.146
  179   1HB   HIS  20           HB1      HIS  20 -19.010  -2.567  -2.803
  180   2HB   HIS  20           HB2      HIS  20 -20.056  -1.312  -3.463
  181    HD1  HIS  20           HD1      HIS  20 -22.386  -2.138  -3.823
  182    HD2  HIS  20           HD2      HIS  20 -20.427  -4.524  -1.174
  183    HE1  HIS  20           HE1      HIS  20 -23.952  -3.943  -3.287
  184    H    ILE  21           HN       ILE  21 -17.871  -2.812  -0.848
  185    HA   ILE  21           HA       ILE  21 -19.163  -4.716   0.779
  186    HB   ILE  21           HB       ILE  21 -16.655  -4.566  -0.252
  187   1HG1  ILE  21          HG11      ILE  21 -17.483  -6.092   2.246
  188   2HG1  ILE  21          HG12      ILE  21 -16.028  -6.442   1.324
  189   1HG2  ILE  21          HG21      ILE  21 -16.122  -2.793   1.589
  190   2HG2  ILE  21          HG22      ILE  21 -14.984  -4.111   1.428
  191   3HG2  ILE  21          HG23      ILE  21 -16.165  -4.122   2.730
  192   1HD1  ILE  21           HD1      ILE  21 -17.280  -7.755  -0.028
  193   2HD1  ILE  21           HD2      ILE  21 -18.127  -6.315  -0.579
  194   3HD1  ILE  21           HD3      ILE  21 -18.760  -7.242   0.775
  195    NH1  ARG  22           NH1      ARG  22 -13.601  -0.274   5.623
  196    NH2  ARG  22           NH2      ARG  22 -12.259  -0.787   3.845
  197    H    ARG  22           HN       ARG  22 -17.873  -1.561   1.556
  198    HA   ARG  22           HA       ARG  22 -18.016  -1.972   4.444
  199   1HB   ARG  22           HB1      ARG  22 -17.956   0.670   4.330
  200   2HB   ARG  22           HB2      ARG  22 -17.678   0.429   2.610
  201   1HG   ARG  22           HG1      ARG  22 -15.702  -0.935   3.078
  202   2HG   ARG  22           HG2      ARG  22 -16.005  -0.827   4.808
  203   1HD   ARG  22           HD1      ARG  22 -15.429   1.452   4.896
  204   2HD   ARG  22           HD2      ARG  22 -15.718   1.690   3.174
  205    HE   ARG  22           HE       ARG  22 -13.435   1.209   2.907
  206   1HH1  ARG  22          HH11      ARG  22 -14.361   0.258   5.996
  207   2HH1  ARG  22          HH12      ARG  22 -13.115  -0.928   6.203
  208   1HH2  ARG  22          HH21      ARG  22 -12.014  -0.638   2.887
  209   2HH2  ARG  22          HH22      ARG  22 -11.750  -1.449   4.395
  210    H    THR  23           HN       THR  23 -20.293  -1.189   1.971
  211    HA   THR  23           HA       THR  23 -22.135   0.186   3.730
  212    HB   THR  23           HB       THR  23 -22.889  -1.358   1.173
  213    HG1  THR  23           HG1      THR  23 -21.182  -0.126   0.612
  214   1HG2  THR  23          HG21      THR  23 -24.898  -0.256   1.826
  215   2HG2  THR  23          HG22      THR  23 -24.106   1.111   1.057
  216   3HG2  THR  23          HG23      THR  23 -24.051   0.934   2.804
  217    H    HIS  24           HN       HIS  24 -21.037  -2.836   3.980
  218    HA   HIS  24           HA       HIS  24 -23.693  -4.003   4.744
  219   1HB   HIS  24           HB1      HIS  24 -22.161  -6.140   4.942
  220   2HB   HIS  24           HB2      HIS  24 -20.978  -5.189   4.052
  221    HD1  HIS  24           HD1      HIS  24 -24.609  -6.078   3.583
  222    HD2  HIS  24           HD2      HIS  24 -21.260  -5.427   1.351
  223    HE1  HIS  24           HE1      HIS  24 -25.267  -6.529   1.245
  224    H    THR  25           HN       THR  25 -21.409  -2.221   6.145
  225    HA   THR  25           HA       THR  25 -21.150  -3.837   8.615
  226    HB   THR  25           HB       THR  25 -19.807  -1.584   9.236
  227    HG1  THR  25           HG1      THR  25 -20.835  -1.206   6.813
  228   1HG2  THR  25          HG21      THR  25 -18.765  -3.180   6.851
  229   2HG2  THR  25          HG22      THR  25 -18.806  -3.898   8.458
  230   3HG2  THR  25          HG23      THR  25 -17.818  -2.473   8.156
  231    H    ASP  26           HN       ASP  26 -21.327  -0.374   8.697
  232    HA   ASP  26           HA       ASP  26 -24.091  -0.336   9.639
  233   1HB   ASP  26           HB1      ASP  26 -23.233   0.775  11.870
  234   2HB   ASP  26           HB2      ASP  26 -21.710  -0.030  11.500
  235    H    VAL  27           HN       VAL  27 -22.233   0.878   7.702
  236    HA   VAL  27           HA       VAL  27 -22.340   3.727   8.500
  237    HB   VAL  27           HB       VAL  27 -20.231   2.929   7.556
  238   1HG1  VAL  27          HG11      VAL  27 -21.968   1.888   5.312
  239   2HG1  VAL  27          HG12      VAL  27 -20.982   0.946   6.423
  240   3HG1  VAL  27          HG13      VAL  27 -20.213   1.973   5.218
  241   1HG2  VAL  27          HG21      VAL  27 -19.927   4.753   6.229
  242   2HG2  VAL  27          HG22      VAL  27 -21.630   5.088   6.524
  243   3HG2  VAL  27          HG23      VAL  27 -21.142   4.214   5.074
  244    NH1  ARG  28           NH1      ARG  28 -27.257  -2.666   5.201
  245    NH2  ARG  28           NH2      ARG  28 -27.658  -1.813   7.283
  246    H    ARG  28           HN       ARG  28 -24.797   2.742   8.187
  247    HA   ARG  28           HA       ARG  28 -25.738   3.974   5.646
  248   1HB   ARG  28           HB1      ARG  28 -27.596   2.154   5.838
  249   2HB   ARG  28           HB2      ARG  28 -26.504   1.364   6.971
  250   1HG   ARG  28           HG1      ARG  28 -24.723   1.733   5.057
  251   2HG   ARG  28           HG2      ARG  28 -26.141   1.842   4.027
  252   1HD   ARG  28           HD1      ARG  28 -25.088  -0.503   5.550
  253   2HD   ARG  28           HD2      ARG  28 -25.836  -0.446   3.956
  254    HE   ARG  28           HE       ARG  28 -27.913   0.208   5.609
  255   1HH1  ARG  28          HH11      ARG  28 -27.037  -2.507   4.238
  256   2HH1  ARG  28          HH12      ARG  28 -27.391  -3.599   5.536
  257   1HH2  ARG  28          HH21      ARG  28 -27.738  -1.015   7.881
  258   2HH2  ARG  28          HH22      ARG  28 -27.799  -2.732   7.653
  259    HA   PRO  29           HA       PRO  29 -27.687   5.975   9.370
  260   1HB   PRO  29           HB1      PRO  29 -27.144   8.183   9.083
  261   2HB   PRO  29           HB2      PRO  29 -28.123   8.284   7.620
  262   1HG   PRO  29           HG1      PRO  29 -25.211   8.005   7.854
  263   2HG   PRO  29           HG2      PRO  29 -26.169   8.352   6.412
  264   1HD   PRO  29           HD1      PRO  29 -26.023   6.192   5.717
  265   2HD   PRO  29           HD2      PRO  29 -24.874   5.892   7.033
  266    OH   TYR  30           OH       TYR  30 -29.198  10.778   3.143
  267    H    TYR  30           HN       TYR  30 -28.829   5.473   6.112
  268    HA   TYR  30           HA       TYR  30 -31.560   6.328   6.825
  269   1HB   TYR  30           HB1      TYR  30 -32.110   5.557   4.499
  270   2HB   TYR  30           HB2      TYR  30 -30.495   4.898   4.337
  271    HD1  TYR  30           HD1      TYR  30 -32.252   8.098   5.139
  272    HD2  TYR  30           HD2      TYR  30 -28.782   6.284   3.472
  273    HE1  TYR  30           HE1      TYR  30 -31.445  10.297   4.414
  274    HE2  TYR  30           HE2      TYR  30 -27.973   8.487   2.765
  275    HH   TYR  30           HH       TYR  30 -28.890  11.247   3.923
  276    H    HIS  31           HN       HIS  31 -31.854   4.862   8.619
  277    HA   HIS  31           HA       HIS  31 -32.044   1.981   7.947
  278   1HB   HIS  31           HB1      HIS  31 -32.289   1.644  10.346
  279   2HB   HIS  31           HB2      HIS  31 -32.676   3.341  10.603
  280    HD1  HIS  31           HD1      HIS  31 -29.812   1.165   9.947
  281    HD2  HIS  31           HD2      HIS  31 -30.486   5.101  10.657
  282    HE1  HIS  31           HE1      HIS  31 -27.616   2.106  10.371
  283    H    CYS  32           HN       CYS  32 -33.950   0.810   7.918
  284    HA   CYS  32           HA       CYS  32 -36.350   2.254   7.290
  285   1HB   CYS  32           HB1      CYS  32 -35.732  -0.645   7.966
  286   2HB   CYS  32           HB2      CYS  32 -36.151   0.027   6.411
  287    H    THR  33           HN       THR  33 -38.055   2.843   8.551
  288    HA   THR  33           HA       THR  33 -37.655   3.106  11.377
  289    HB   THR  33           HB       THR  33 -40.393   3.197  10.003
  290    HG1  THR  33           HG1      THR  33 -38.562   4.219   8.853
  291   1HG2  THR  33          HG21      THR  33 -39.751   3.784  12.587
  292   2HG2  THR  33          HG22      THR  33 -40.885   4.794  11.695
  293   3HG2  THR  33          HG23      THR  33 -39.201   5.285  11.846
  294    OH   TYR  34           OH       TYR  34 -44.408   2.604   9.165
  295    H    TYR  34           HN       TYR  34 -38.490   0.412   9.607
  296    HA   TYR  34           HA       TYR  34 -39.840  -0.837  11.970
  297   1HB   TYR  34           HB1      TYR  34 -40.983  -2.334  10.389
  298   2HB   TYR  34           HB2      TYR  34 -40.043  -1.698   9.045
  299    HD1  TYR  34           HD2      TYR  34 -40.270   0.867   8.588
  300    HD2  TYR  34           HD1      TYR  34 -43.054  -1.342  10.924
  301    HE1  TYR  34           HE2      TYR  34 -41.955   2.608   8.224
  302    HE2  TYR  34           HE1      TYR  34 -44.740   0.402  10.559
  303    HH   TYR  34           HH       TYR  34 -44.606   2.635   8.226
  304    H    CYS  35           HN       CYS  35 -38.285  -2.146   9.061
  305    HA   CYS  35           HA       CYS  35 -37.159  -4.392  10.392
  306   1HB   CYS  35           HB1      CYS  35 -35.783  -4.654   8.407
  307   2HB   CYS  35           HB2      CYS  35 -35.948  -2.973   7.999
  308    H    ASN  36           HN       ASN  36 -34.578  -4.571   9.827
  309    HA   ASN  36           HA       ASN  36 -33.308  -2.471  11.537
  310   1HB   ASN  36           HB1      ASN  36 -32.478  -5.395  11.163
  311   2HB   ASN  36           HB2      ASN  36 -33.436  -4.818  12.525
  312   1HD2  ASN  36          HD21      ASN  36 -31.120  -5.914  13.328
  313   2HD2  ASN  36          HD22      ASN  36 -29.951  -4.746  13.717
  314    H    PHE  37           HN       PHE  37 -33.632  -3.462   8.472
  315    HA   PHE  37           HA       PHE  37 -30.826  -3.405   7.645
  316   1HB   PHE  37           HB1      PHE  37 -33.130  -2.996   5.731
  317   2HB   PHE  37           HB2      PHE  37 -32.970  -4.566   6.519
  318    HD1  PHE  37           HD2      PHE  37 -30.680  -5.749   6.356
  319    HD2  PHE  37           HD1      PHE  37 -31.752  -2.443   3.897
  320    HE1  PHE  37           HE2      PHE  37 -28.906  -6.352   4.768
  321    HE2  PHE  37           HE1      PHE  37 -29.976  -3.051   2.309
  322    HZ   PHE  37           HZ       PHE  37 -28.553  -5.004   2.746
  323    H    SER  38           HN       SER  38 -30.030  -1.813   6.112
  324    HA   SER  38           HA       SER  38 -31.469   0.750   6.079
  325   1HB   SER  38           HB1      SER  38 -28.639   0.528   7.221
  326   2HB   SER  38           HB2      SER  38 -30.089   0.726   8.216
  327    HG   SER  38           HG1      SER  38 -30.044   2.755   7.705
  328    H    PHE  39           HN       PHE  39 -30.148   2.410   4.870
  329    HA   PHE  39           HA       PHE  39 -28.470   1.117   2.775
  330   1HB   PHE  39           HB1      PHE  39 -29.791   2.158   1.056
  331   2HB   PHE  39           HB2      PHE  39 -30.573   3.235   2.212
  332    HD1  PHE  39           HD2      PHE  39 -32.104   2.223   3.960
  333    HD2  PHE  39           HD1      PHE  39 -30.699  -0.029   0.640
  334    HE1  PHE  39           HE2      PHE  39 -33.862   0.563   4.351
  335    HE2  PHE  39           HE1      PHE  39 -32.456  -1.701   1.039
  336    HZ   PHE  39           HZ       PHE  39 -34.036  -1.407   2.904
  337    H    LYS  40           HN       LYS  40 -27.055   2.571   1.690
  338    HA   LYS  40           HA       LYS  40 -26.103   4.688   3.460
  339   1HB   LYS  40           HB1      LYS  40 -25.172   3.863   0.667
  340   2HB   LYS  40           HB2      LYS  40 -24.584   3.137   2.144
  341   1HG   LYS  40           HG1      LYS  40 -24.378   6.125   1.721
  342   2HG   LYS  40           HG2      LYS  40 -23.168   5.045   1.065
  343   1HD   LYS  40           HD1      LYS  40 -22.863   4.089   3.379
  344   2HD   LYS  40           HD2      LYS  40 -23.944   5.339   3.983
  345   1HE   LYS  40           HE1      LYS  40 -21.142   5.555   3.088
  346   2HE   LYS  40           HE2      LYS  40 -22.040   6.564   4.215
  347   1HZ   LYS  40           HZ1      LYS  40 -22.062   6.690   1.258
  348   2HZ   LYS  40           HZ2      LYS  40 -21.554   7.887   2.351
  349   3HZ   LYS  40           HZ3      LYS  40 -23.202   7.498   2.223
  350    H    THR  41           HN       THR  41 -28.125   4.426   0.703
  351    HA   THR  41           HA       THR  41 -28.077   7.403   0.385
  352    HB   THR  41           HB       THR  41 -28.572   7.072  -1.955
  353    HG1  THR  41           HG1      THR  41 -29.006   4.352  -1.668
  354   1HG2  THR  41          HG21      THR  41 -27.148   4.438  -1.311
  355   2HG2  THR  41          HG22      THR  41 -26.285   5.966  -1.180
  356   3HG2  THR  41          HG23      THR  41 -26.928   5.450  -2.735
  357    H    LYS  42           HN       LYS  42 -30.060   8.447  -0.060
  358    HA   LYS  42           HA       LYS  42 -32.240   7.381   1.517
  359   1HB   LYS  42           HB1      LYS  42 -32.192   9.862  -0.263
  360   2HB   LYS  42           HB2      LYS  42 -31.591   9.847   1.391
  361   1HG   LYS  42           HG1      LYS  42 -33.839   9.093   2.172
  362   2HG   LYS  42           HG2      LYS  42 -34.428   9.206   0.518
  363   1HD   LYS  42           HD1      LYS  42 -33.080  11.658   1.182
  364   2HD   LYS  42           HD2      LYS  42 -34.248  11.296   2.448
  365   1HE   LYS  42           HE1      LYS  42 -34.821  11.404  -0.535
  366   2HE   LYS  42           HE2      LYS  42 -35.331  12.590   0.660
  367   1HZ   LYS  42           HZ1      LYS  42 -36.839  11.135   1.592
  368   2HZ   LYS  42           HZ2      LYS  42 -36.088   9.757   0.945
  369   3HZ   LYS  42           HZ3      LYS  42 -36.976  10.793  -0.066
  370    H    GLY  43           HN       GLY  43 -31.326   7.364  -1.781
  371   1HA   GLY  43           HA1      GLY  43 -32.413   6.531  -3.690
  372   2HA   GLY  43           HA2      GLY  43 -33.896   7.213  -3.027
  373    H    ASN  44           HN       ASN  44 -31.681   4.550  -2.200
  374    HA   ASN  44           HA       ASN  44 -33.379   2.420  -2.750
  375   1HB   ASN  44           HB1      ASN  44 -32.095   1.317  -0.733
  376   2HB   ASN  44           HB2      ASN  44 -31.236   2.850  -0.645
  377   1HD2  ASN  44          HD21      ASN  44 -29.536   0.913  -1.261
  378   2HD2  ASN  44          HD22      ASN  44 -29.195   0.823  -2.921
  379    H    LEU  45           HN       LEU  45 -33.262   4.421   0.158
  380    HA   LEU  45           HA       LEU  45 -35.004   2.953   1.803
  381   1HB   LEU  45           HB1      LEU  45 -35.132   5.980   1.538
  382   2HB   LEU  45           HB2      LEU  45 -33.689   5.218   2.178
  383    HG   LEU  45           HG       LEU  45 -35.320   5.969   3.956
  384   1HD1  LEU  45          HD11      LEU  45 -37.081   3.681   3.037
  385   2HD1  LEU  45          HD12      LEU  45 -37.367   5.349   2.557
  386   3HD1  LEU  45          HD13      LEU  45 -37.429   4.897   4.255
  387   1HD2  LEU  45          HD21      LEU  45 -35.190   2.964   4.101
  388   2HD2  LEU  45          HD22      LEU  45 -34.877   4.156   5.351
  389   3HD2  LEU  45          HD23      LEU  45 -33.702   3.893   4.077
  390    H    THR  46           HN       THR  46 -35.881   5.659  -0.343
  391    HA   THR  46           HA       THR  46 -38.659   5.487  -0.107
  392    HB   THR  46           HB       THR  46 -37.116   6.017  -2.719
  393    HG1  THR  46           HG1      THR  46 -36.844   7.100  -0.389
  394   1HG2  THR  46          HG21      THR  46 -39.794   6.963  -1.543
  395   2HG2  THR  46          HG22      THR  46 -39.580   6.069  -3.044
  396   3HG2  THR  46          HG23      THR  46 -39.029   7.738  -2.928
  397    H    LYS  47           HN       LYS  47 -36.462   3.468  -1.937
  398    HA   LYS  47           HA       LYS  47 -38.555   2.124  -3.432
  399   1HB   LYS  47           HB1      LYS  47 -36.342   0.381  -3.248
  400   2HB   LYS  47           HB2      LYS  47 -35.638   1.990  -3.147
  401   1HG   LYS  47           HG1      LYS  47 -37.060   2.609  -5.174
  402   2HG   LYS  47           HG2      LYS  47 -37.422   0.895  -5.336
  403   1HD   LYS  47           HD1      LYS  47 -34.980   0.414  -5.451
  404   2HD   LYS  47           HD2      LYS  47 -34.655   2.142  -5.363
  405   1HE   LYS  47           HE1      LYS  47 -36.438   2.138  -7.393
  406   2HE   LYS  47           HE2      LYS  47 -35.753   0.533  -7.616
  407   1HZ   LYS  47           HZ1      LYS  47 -34.674   2.927  -8.429
  408   2HZ   LYS  47           HZ2      LYS  47 -33.923   1.404  -8.454
  409   3HZ   LYS  47           HZ3      LYS  47 -33.712   2.432  -7.120
  410    H    HIS  48           HN       HIS  48 -36.617   1.187  -0.574
  411    HA   HIS  48           HA       HIS  48 -37.915  -1.332  -0.203
  412   1HB   HIS  48           HB1      HIS  48 -36.549   0.560   1.776
  413   2HB   HIS  48           HB2      HIS  48 -35.850  -0.866   1.016
  414    HD1  HIS  48           HD1      HIS  48 -37.450  -3.076   1.647
  415    HD2  HIS  48           HD2      HIS  48 -37.461   0.017   4.323
  416    HE1  HIS  48           HE1      HIS  48 -38.274  -4.033   3.742
  417    H    MET  49           HN       MET  49 -39.048   1.834   0.249
  418    HA   MET  49           HA       MET  49 -41.089   0.994   2.224
  419   1HB   MET  49           HB1      MET  49 -41.780   3.506   1.838
  420   2HB   MET  49           HB2      MET  49 -40.252   3.635   0.974
  421   1HG   MET  49           HG1      MET  49 -39.471   4.133   3.053
  422   2HG   MET  49           HG2      MET  49 -39.347   2.397   3.147
  423   1HE   MET  49           HE1      MET  49 -40.825   1.547   6.277
  424   2HE   MET  49           HE2      MET  49 -39.271   1.923   5.533
  425   3HE   MET  49           HE3      MET  49 -40.436   0.912   4.677
  426    H    LYS  50           HN       LYS  50 -40.846   2.116  -1.120
  427    HA   LYS  50           HA       LYS  50 -43.543   2.396  -1.773
  428   1HB   LYS  50           HB1      LYS  50 -41.451   0.984  -3.498
  429   2HB   LYS  50           HB2      LYS  50 -41.543   2.732  -3.318
  430   1HG   LYS  50           HG1      LYS  50 -43.907   2.644  -4.149
  431   2HG   LYS  50           HG2      LYS  50 -43.708   0.919  -4.435
  432   1HD   LYS  50           HD1      LYS  50 -41.915   1.337  -6.030
  433   2HD   LYS  50           HD2      LYS  50 -41.933   3.057  -5.657
  434   1HE   LYS  50           HE1      LYS  50 -44.366   3.080  -6.408
  435   2HE   LYS  50           HE2      LYS  50 -44.118   1.443  -7.003
  436   1HZ   LYS  50           HZ1      LYS  50 -42.507   2.184  -8.527
  437   2HZ   LYS  50           HZ2      LYS  50 -42.416   3.723  -7.815
  438   3HZ   LYS  50           HZ3      LYS  50 -43.812   3.262  -8.665
  439    H    SER  51           HN       SER  51 -41.651  -0.599  -1.627
  440    HA   SER  51           HA       SER  51 -43.562  -2.398  -2.616
  441   1HB   SER  51           HB1      SER  51 -41.760  -2.903  -0.188
  442   2HB   SER  51           HB2      SER  51 -41.185  -2.967  -1.865
  443    HG   SER  51           HG1      SER  51 -41.890  -5.009  -1.349
  444    H    LYS  52           HN       LYS  52 -45.098  -3.753  -1.565
  445    HA   LYS  52           HA       LYS  52 -46.789  -2.330   0.286
  446   1HB   LYS  52           HB1      LYS  52 -48.055  -4.531   0.326
  447   2HB   LYS  52           HB2      LYS  52 -46.751  -5.256  -0.605
  448   1HG   LYS  52           HG1      LYS  52 -47.178  -3.856  -2.491
  449   2HG   LYS  52           HG2      LYS  52 -48.194  -2.770  -1.549
  450   1HD   LYS  52           HD1      LYS  52 -49.562  -4.279  -2.966
  451   2HD   LYS  52           HD2      LYS  52 -49.862  -4.563  -1.255
  452   1HE   LYS  52           HE1      LYS  52 -47.707  -6.147  -2.616
  453   2HE   LYS  52           HE2      LYS  52 -49.386  -6.596  -2.896
  454   1HZ   LYS  52           HZ1      LYS  52 -49.723  -6.899  -0.579
  455   2HZ   LYS  52           HZ2      LYS  52 -48.193  -6.268  -0.204
  456   3HZ   LYS  52           HZ3      LYS  52 -48.322  -7.757  -1.010
  457    H    ALA  53           HN       ALA  53 -43.909  -3.537   0.934
  458    HA   ALA  53           HA       ALA  53 -44.011  -5.350   3.022
  459   1HB   ALA  53           HB1      ALA  53 -42.048  -4.032   3.993
  460   2HB   ALA  53           HB2      ALA  53 -42.375  -2.778   2.801
  461   3HB   ALA  53           HB3      ALA  53 -41.883  -4.385   2.275
  462    H    HIS  54           HN       HIS  54 -43.310  -2.185   4.247
  463    HA   HIS  54           HA       HIS  54 -45.854  -2.082   5.738
  464   1HB   HIS  54           HB1      HIS  54 -44.704  -3.290   7.379
  465   2HB   HIS  54           HB2      HIS  54 -44.221  -1.660   7.834
  466    HD1  HIS  54           HD1      HIS  54 -42.838  -4.772   6.628
  467    HD2  HIS  54           HD2      HIS  54 -41.549  -0.899   6.865
  468    HE1  HIS  54           HE1      HIS  54 -40.404  -4.873   6.362
  469    H    SER  55           HN       SER  55 -46.177  -0.155   4.569
  470    HA   SER  55           HA       SER  55 -44.923   2.168   5.857
  471   1HB   SER  55           HB1      SER  55 -43.324   1.902   4.047
  472   2HB   SER  55           HB2      SER  55 -44.458   3.125   3.442
  473    HG   SER  55           HG1      SER  55 -44.316   0.370   2.873
  474    H    LYS  56           HN       LYS  56 -47.083   0.980   3.329
  475    HA   LYS  56           HA       LYS  56 -48.823   3.371   3.764
  476   1HB   LYS  56           HB1      LYS  56 -49.861   2.681   1.584
  477   2HB   LYS  56           HB2      LYS  56 -48.777   1.295   1.518
  478   1HG   LYS  56           HG1      LYS  56 -46.857   3.007   1.729
  479   2HG   LYS  56           HG2      LYS  56 -48.065   4.231   1.354
  480   1HD   LYS  56           HD1      LYS  56 -48.622   3.048  -0.743
  481   2HD   LYS  56           HD2      LYS  56 -47.432   1.808  -0.365
  482   1HE   LYS  56           HE1      LYS  56 -45.661   3.577  -0.327
  483   2HE   LYS  56           HE2      LYS  56 -46.869   4.756  -0.822
  484   1HZ   LYS  56           HZ1      LYS  56 -47.289   3.267  -2.778
  485   2HZ   LYS  56           HZ2      LYS  56 -45.884   2.419  -2.341
  486   3HZ   LYS  56           HZ3      LYS  56 -45.787   4.061  -2.764
  487    H    LYS  57           HN       LYS  57 -48.742   1.154   5.619
  488    HA   LYS  57           HA       LYS  57 -51.557   0.704   5.866
  489   1HB   LYS  57           HB1      LYS  57 -50.051  -1.880   5.447
  490   2HB   LYS  57           HB2      LYS  57 -50.584  -0.988   4.027
  491   1HG   LYS  57           HG1      LYS  57 -52.306  -2.613   4.697
  492   2HG   LYS  57           HG2      LYS  57 -52.903  -0.973   4.921
  493   1HD   LYS  57           HD1      LYS  57 -52.664  -1.075   7.266
  494   2HD   LYS  57           HD2      LYS  57 -51.528  -2.417   7.186
  495   1HE   LYS  57           HE1      LYS  57 -53.313  -3.922   6.431
  496   2HE   LYS  57           HE2      LYS  57 -54.457  -2.585   6.400
  497   1HZ   LYS  57           HZ1      LYS  57 -53.332  -2.571   8.918
  498   2HZ   LYS  57           HZ2      LYS  57 -53.664  -4.201   8.578
  499   3HZ   LYS  57                 LYS  57 -54.907  -3.046   8.496
   
  Start of MODEL          33
 Raw file had 499 H/Q atoms
  Start of MODEL   33
    1   1H    LYS   1           HT1      LYS   1  -8.857  -6.491  -9.950
    2   2H    LYS   1           HT2      LYS   1  -9.205  -5.071 -10.813
    3   3H    LYS   1           HT3      LYS   1 -10.321  -5.674  -9.685
    4    HA   LYS   1           HA       LYS   1  -8.121  -5.421  -8.170
    5   1HB   LYS   1           HB1      LYS   1  -7.226  -3.159  -8.678
    6   2HB   LYS   1           HB2      LYS   1  -8.294  -3.025 -10.069
    7   1HG   LYS   1           HG1      LYS   1  -7.155  -4.792 -11.228
    8   2HG   LYS   1           HG2      LYS   1  -6.272  -5.262  -9.780
    9   1HD   LYS   1           HD1      LYS   1  -5.921  -2.432 -10.552
   10   2HD   LYS   1           HD2      LYS   1  -5.282  -3.586 -11.718
   11   1HE   LYS   1           HE1      LYS   1  -3.846  -4.587 -10.103
   12   2HE   LYS   1           HE2      LYS   1  -4.703  -3.841  -8.761
   13   1HZ   LYS   1           HZ1      LYS   1  -3.900  -1.692  -9.456
   14   2HZ   LYS   1           HZ2      LYS   1  -3.119  -2.378 -10.800
   15   3HZ   LYS   1           HZ3      LYS   1  -2.593  -2.750  -9.230
   16    OH   TYR   2           OH       TYR   2  -7.932   1.069  -8.320
   17    H    TYR   2           HN       TYR   2 -11.171  -5.082  -8.876
   18    HA   TYR   2           HA       TYR   2 -11.706  -3.486  -6.469
   19   1HB   TYR   2           HB1      TYR   2 -13.247  -1.933  -7.699
   20   2HB   TYR   2           HB2      TYR   2 -12.729  -2.648  -9.225
   21    HD1  TYR   2           HD2      TYR   2 -11.492  -0.800  -6.238
   22    HD2  TYR   2           HD1      TYR   2 -10.691  -1.957 -10.252
   23    HE1  TYR   2           HE2      TYR   2  -9.555   0.701  -6.284
   24    HE2  TYR   2           HE1      TYR   2  -8.752  -0.457 -10.298
   25    HH   TYR   2           HH       TYR   2  -8.251   1.967  -8.211
   26    H    ILE   3           HN       ILE   3 -12.141  -6.157  -6.925
   27    HA   ILE   3           HA       ILE   3 -15.081  -6.361  -7.390
   28    HB   ILE   3           HB       ILE   3 -12.864  -8.470  -7.338
   29   1HG1  ILE   3          HG11      ILE   3 -14.616  -7.345  -9.562
   30   2HG1  ILE   3          HG12      ILE   3 -13.597  -8.765  -9.747
   31   1HG2  ILE   3          HG21      ILE   3 -15.900  -8.660  -7.617
   32   2HG2  ILE   3          HG22      ILE   3 -14.873  -9.518  -6.472
   33   3HG2  ILE   3          HG23      ILE   3 -14.838  -9.946  -8.178
   34   1HD1  ILE   3           HD1      ILE   3 -12.827  -5.900  -9.594
   35   2HD1  ILE   3           HD2      ILE   3 -12.055  -7.222 -10.455
   36   3HD1  ILE   3           HD3      ILE   3 -11.771  -7.012  -8.734
   37    H    CYS   4           HN       CYS   4 -16.131  -6.072  -5.466
   38    HA   CYS   4           HA       CYS   4 -15.023  -6.482  -2.922
   39   1HB   CYS   4           HB1      CYS   4 -17.884  -6.750  -3.875
   40   2HB   CYS   4           HB2      CYS   4 -17.159  -5.368  -3.103
   41    H    GLU   5           HN       GLU   5 -14.162  -8.233  -2.128
   42    HA   GLU   5           HA       GLU   5 -14.462 -10.840  -3.147
   43   1HB   GLU   5           HB1      GLU   5 -13.547 -11.486  -0.794
   44   2HB   GLU   5           HB2      GLU   5 -13.559  -9.759  -0.453
   45   1HG   GLU   5           HG1      GLU   5 -12.100  -9.347  -2.398
   46   2HG   GLU   5           HG2      GLU   5 -12.115 -11.066  -2.787
   47    H    GLU   6           HN       GLU   6 -16.527  -9.074  -1.022
   48    HA   GLU   6           HA       GLU   6 -17.796 -11.489   0.011
   49   1HB   GLU   6           HB1      GLU   6 -18.896  -8.680   0.282
   50   2HB   GLU   6           HB2      GLU   6 -17.495  -9.176   1.222
   51   1HG   GLU   6           HG1      GLU   6 -18.799 -11.106   2.107
   52   2HG   GLU   6           HG2      GLU   6 -20.207 -10.546   1.209
   53    H    CYS   7           HN       CYS   7 -19.173  -8.624  -1.597
   54    HA   CYS   7           HA       CYS   7 -21.406 -10.225  -2.579
   55   1HB   CYS   7           HB1      CYS   7 -22.253  -8.179  -3.451
   56   2HB   CYS   7           HB2      CYS   7 -20.671  -7.470  -3.572
   57    H    GLY   8           HN       GLY   8 -18.748  -8.424  -4.102
   58   1HA   GLY   8           HA1      GLY   8 -18.990 -10.246  -6.465
   59   2HA   GLY   8           HA2      GLY   8 -17.477  -9.524  -5.931
   60    H    ILE   9           HN       ILE   9 -19.369  -7.059  -5.384
   61    HA   ILE   9           HA       ILE   9 -20.341  -6.067  -7.808
   62    HB   ILE   9           HB       ILE   9 -20.465  -5.030  -5.430
   63   1HG1  ILE   9          HG11      ILE   9 -20.117  -3.581  -8.024
   64   2HG1  ILE   9          HG12      ILE   9 -20.215  -2.618  -6.553
   65   1HG2  ILE   9          HG21      ILE   9 -17.837  -4.978  -5.359
   66   2HG2  ILE   9          HG22      ILE   9 -18.684  -3.566  -4.760
   67   3HG2  ILE   9          HG23      ILE   9 -17.973  -3.543  -6.364
   68   1HD1  ILE   9           HD1      ILE   9 -22.211  -4.820  -7.086
   69   2HD1  ILE   9           HD2      ILE   9 -22.439  -3.215  -7.774
   70   3HD1  ILE   9           HD3      ILE   9 -22.376  -3.423  -6.027
   71    NH1  ARG  10           NH2      ARG  10 -15.868  -7.416 -15.491
   72    NH2  ARG  10           NH1      ARG  10 -14.250  -5.817 -15.695
   73    H    ARG  10           HN       ARG  10 -19.417  -5.475  -9.659
   74    HA   ARG  10           HA       ARG  10 -16.447  -5.313  -9.742
   75   1HB   ARG  10           HB1      ARG  10 -18.467  -5.444 -12.030
   76   2HB   ARG  10           HB2      ARG  10 -17.716  -6.860 -11.303
   77   1HG   ARG  10           HG1      ARG  10 -15.633  -4.998 -11.914
   78   2HG   ARG  10           HG2      ARG  10 -16.656  -5.136 -13.340
   79   1HD   ARG  10           HD1      ARG  10 -16.494  -7.637 -13.152
   80   2HD   ARG  10           HD2      ARG  10 -15.351  -7.423 -11.825
   81    HE   ARG  10           HE       ARG  10 -13.706  -6.776 -13.409
   82   1HH1  ARG  10          HH21      ARG  10 -16.363  -8.065 -14.913
   83   2HH1  ARG  10          HH22      ARG  10 -16.099  -7.334 -16.460
   84   1HH2  ARG  10          HH11      ARG  10 -13.531  -5.267 -15.269
   85   2HH2  ARG  10          HH12      ARG  10 -14.452  -5.709 -16.667
   86    H    ABA  11           HN       ABU  11 -15.834  -3.268  -9.270
   87    HA   ABA  11           HA       ABU  11 -16.990  -1.094 -10.988
   88   1HB   ABA  11           HB1      ABU  11 -16.780   0.437  -9.103
   89   2HB   ABA  11           HB2      ABU  11 -15.959  -0.768  -8.141
   90   1HG   ABA  11           HG1      ABU  11 -18.050  -2.186  -8.265
   91   2HG   ABA  11           HG2      ABU  11 -18.853  -0.828  -9.046
   92   3HG   ABA  11           HG3      ABU  11 -18.266  -0.673  -7.393
   93    H    LYS  12           HN       LYS  12 -15.339  -1.149 -12.459
   94    HA   LYS  12           HA       LYS  12 -12.605  -1.430 -12.024
   95   1HB   LYS  12           HB1      LYS  12 -12.351  -0.110 -14.153
   96   2HB   LYS  12           HB2      LYS  12 -14.040   0.367 -14.029
   97   1HG   LYS  12           HG1      LYS  12 -14.746  -1.977 -14.149
   98   2HG   LYS  12           HG2      LYS  12 -13.068  -2.506 -14.165
   99   1HD   LYS  12           HD1      LYS  12 -12.717  -1.228 -16.281
  100   2HD   LYS  12           HD2      LYS  12 -14.424  -0.796 -16.276
  101   1HE   LYS  12           HE1      LYS  12 -14.251  -2.718 -17.692
  102   2HE   LYS  12           HE2      LYS  12 -14.920  -3.304 -16.174
  103   1HZ   LYS  12           HZ1      LYS  12 -13.109  -4.689 -17.069
  104   2HZ   LYS  12           HZ2      LYS  12 -12.789  -4.093 -15.511
  105   3HZ   LYS  12           HZ3      LYS  12 -12.038  -3.388 -16.861
  106    H    LYS  13           HN       LYS  13 -14.579   1.263 -11.123
  107    HA   LYS  13           HA       LYS  13 -12.177   2.976 -10.840
  108   1HB   LYS  13           HB1      LYS  13 -13.933   4.754 -10.271
  109   2HB   LYS  13           HB2      LYS  13 -15.156   3.540 -10.631
  110   1HG   LYS  13           HG1      LYS  13 -14.987   4.328 -12.766
  111   2HG   LYS  13           HG2      LYS  13 -13.539   3.330 -12.833
  112   1HD   LYS  13           HD1      LYS  13 -12.278   5.357 -11.888
  113   2HD   LYS  13           HD2      LYS  13 -13.725   6.294 -12.245
  114   1HE   LYS  13           HE1      LYS  13 -12.123   4.667 -14.247
  115   2HE   LYS  13           HE2      LYS  13 -12.139   6.421 -14.127
  116   1HZ   LYS  13           HZ1      LYS  13 -13.992   6.520 -15.301
  117   2HZ   LYS  13           HZ2      LYS  13 -14.774   5.378 -14.317
  118   3HZ   LYS  13           HZ3      LYS  13 -13.821   4.861 -15.624
  119    HA   PRO  14           HA       PRO  14 -11.966   2.197  -6.444
  120   1HB   PRO  14           HB1      PRO  14 -10.025   3.378  -6.031
  121   2HB   PRO  14           HB2      PRO  14 -11.013   4.806  -5.727
  122   1HG   PRO  14           HG1      PRO  14  -9.215   4.450  -7.894
  123   2HG   PRO  14           HG2      PRO  14 -10.406   5.743  -7.733
  124   1HD   PRO  14           HD1      PRO  14 -11.509   4.839  -9.526
  125   2HD   PRO  14           HD2      PRO  14 -10.447   3.419  -9.500
  126    H    SER  15           HN       SER  15 -12.720   5.656  -6.903
  127    HA   SER  15           HA       SER  15 -14.238   6.284  -4.755
  128   1HB   SER  15           HB1      SER  15 -13.932   7.693  -6.889
  129   2HB   SER  15           HB2      SER  15 -15.568   7.786  -6.207
  130    HG   SER  15           HG1      SER  15 -15.690   7.253  -8.401
  131    H    MET  16           HN       MET  16 -15.459   4.355  -7.466
  132    HA   MET  16           HA       MET  16 -18.093   4.050  -6.315
  133   1HB   MET  16           HB1      MET  16 -18.077   2.025  -8.004
  134   2HB   MET  16           HB2      MET  16 -16.513   2.659  -8.503
  135   1HG   MET  16           HG1      MET  16 -17.781   3.896  -9.918
  136   2HG   MET  16           HG2      MET  16 -17.892   4.944  -8.529
  137   1HE   MET  16           HE1      MET  16 -19.297   2.199 -10.551
  138   2HE   MET  16           HE2      MET  16 -19.961   3.604 -11.383
  139   3HE   MET  16           HE3      MET  16 -21.040   2.458 -10.590
  140    H    LEU  17           HN       LEU  17 -15.301   1.805  -6.563
  141    HA   LEU  17           HA       LEU  17 -16.530  -0.215  -4.946
  142   1HB   LEU  17           HB1      LEU  17 -13.532   0.276  -5.084
  143   2HB   LEU  17           HB2      LEU  17 -14.389  -0.314  -6.489
  144    HG   LEU  17           HG       LEU  17 -13.356  -2.152  -5.104
  145   1HD1  LEU  17          HD11      LEU  17 -15.494  -1.557  -3.051
  146   2HD1  LEU  17          HD12      LEU  17 -13.849  -0.952  -2.904
  147   3HD1  LEU  17          HD13      LEU  17 -14.152  -2.683  -2.932
  148   1HD2  LEU  17          HD21      LEU  17 -15.116  -3.659  -5.420
  149   2HD2  LEU  17          HD22      LEU  17 -15.569  -2.353  -6.499
  150   3HD2  LEU  17          HD23      LEU  17 -16.347  -2.505  -4.935
  151    H    LYS  18           HN       LYS  18 -13.929   2.075  -4.185
  152    HA   LYS  18           HA       LYS  18 -13.522   1.752  -1.530
  153   1HB   LYS  18           HB1      LYS  18 -13.350   4.295  -1.363
  154   2HB   LYS  18           HB2      LYS  18 -14.052   4.391  -2.974
  155   1HG   LYS  18           HG1      LYS  18 -11.833   4.344  -3.586
  156   2HG   LYS  18           HG2      LYS  18 -12.096   2.609  -3.480
  157   1HD   LYS  18           HD1      LYS  18 -11.315   2.660  -1.114
  158   2HD   LYS  18           HD2      LYS  18 -11.002   4.384  -1.271
  159   1HE   LYS  18           HE1      LYS  18  -9.265   4.041  -2.852
  160   2HE   LYS  18           HE2      LYS  18  -9.778   2.391  -3.184
  161   1HZ   LYS  18           HZ1      LYS  18  -8.219   3.441  -0.954
  162   2HZ   LYS  18           HZ2      LYS  18  -8.059   1.978  -1.802
  163   3HZ   LYS  18           HZ3      LYS  18  -9.274   2.151  -0.627
  164    H    LYS  19           HN       LYS  19 -16.283   3.562  -2.852
  165    HA   LYS  19           HA       LYS  19 -17.449   4.063  -0.294
  166   1HB   LYS  19           HB1      LYS  19 -19.526   4.533  -1.688
  167   2HB   LYS  19           HB2      LYS  19 -18.654   3.940  -3.097
  168   1HG   LYS  19           HG1      LYS  19 -18.076   6.151  -3.312
  169   2HG   LYS  19           HG2      LYS  19 -16.834   5.713  -2.146
  170   1HD   LYS  19           HD1      LYS  19 -18.380   6.372  -0.302
  171   2HD   LYS  19           HD2      LYS  19 -19.560   6.882  -1.504
  172   1HE   LYS  19           HE1      LYS  19 -18.516   8.870  -1.716
  173   2HE   LYS  19           HE2      LYS  19 -17.023   8.055  -2.163
  174   1HZ   LYS  19           HZ1      LYS  19 -16.914   9.504  -0.146
  175   2HZ   LYS  19           HZ2      LYS  19 -16.365   7.913   0.072
  176   3HZ   LYS  19           HZ3      LYS  19 -17.897   8.369   0.646
  177    H    HIS  20           HN       HIS  20 -17.942   1.566  -2.739
  178    HA   HIS  20           HA       HIS  20 -20.137   0.251  -1.514
  179   1HB   HIS  20           HB1      HIS  20 -17.861  -0.872  -3.197
  180   2HB   HIS  20           HB2      HIS  20 -19.405  -0.294  -3.815
  181    HD1  HIS  20           HD1      HIS  20 -21.115  -2.121  -3.920
  182    HD2  HIS  20           HD2      HIS  20 -18.097  -3.133  -1.386
  183    HE1  HIS  20           HE1      HIS  20 -21.619  -4.404  -3.182
  184    H    ILE  21           HN       ILE  21 -16.639  -0.401  -1.217
  185    HA   ILE  21           HA       ILE  21 -16.911  -2.590   0.548
  186    HB   ILE  21           HB       ILE  21 -14.761  -1.440  -0.635
  187   1HG1  ILE  21          HG11      ILE  21 -14.719  -2.977   1.992
  188   2HG1  ILE  21          HG12      ILE  21 -13.316  -2.750   0.958
  189   1HG2  ILE  21          HG21      ILE  21 -14.993   0.510   1.091
  190   2HG2  ILE  21          HG22      ILE  21 -13.401  -0.182   0.907
  191   3HG2  ILE  21          HG23      ILE  21 -14.401  -0.623   2.285
  192   1HD1  ILE  21           HD1      ILE  21 -15.613  -4.572   0.628
  193   2HD1  ILE  21           HD2      ILE  21 -13.988  -4.691  -0.036
  194   3HD1  ILE  21           HD3      ILE  21 -15.195  -3.695  -0.837
  195    NH1  ARG  22           NH2      ARG  22 -17.679   6.080   5.235
  196    NH2  ARG  22           NH1      ARG  22 -15.540   6.856   5.447
  197    H    ARG  22           HN       ARG  22 -17.072   0.859   1.156
  198    HA   ARG  22           HA       ARG  22 -16.910   0.570   4.063
  199   1HB   ARG  22           HB1      ARG  22 -17.961   2.967   3.905
  200   2HB   ARG  22           HB2      ARG  22 -17.786   2.788   2.164
  201   1HG   ARG  22           HG1      ARG  22 -15.397   2.549   2.343
  202   2HG   ARG  22           HG2      ARG  22 -15.478   2.380   4.092
  203   1HD   ARG  22           HD1      ARG  22 -16.612   4.861   2.841
  204   2HD   ARG  22           HD2      ARG  22 -14.863   4.721   3.010
  205    HE   ARG  22           HE       ARG  22 -15.658   4.083   5.520
  206   1HH1  ARG  22          HH21      ARG  22 -18.298   5.324   5.021
  207   2HH1  ARG  22          HH22      ARG  22 -18.048   6.972   5.496
  208   1HH2  ARG  22          HH11      ARG  22 -14.556   6.683   5.392
  209   2HH2  ARG  22          HH12      ARG  22 -15.874   7.761   5.712
  210    H    THR  23           HN       THR  23 -19.516   0.427   1.724
  211    HA   THR  23           HA       THR  23 -21.603   0.911   3.626
  212    HB   THR  23           HB       THR  23 -21.884  -0.949   1.190
  213    HG1  THR  23           HG1      THR  23 -20.626   1.075   0.916
  214   1HG2  THR  23          HG21      THR  23 -23.915   0.942   1.112
  215   2HG2  THR  23          HG22      THR  23 -23.697   0.827   2.852
  216   3HG2  THR  23          HG23      THR  23 -24.114  -0.604   1.924
  217    H    HIS  24           HN       HIS  24 -19.368  -1.516   3.632
  218    HA   HIS  24           HA       HIS  24 -21.246  -3.613   4.599
  219   1HB   HIS  24           HB1      HIS  24 -18.884  -4.789   4.972
  220   2HB   HIS  24           HB2      HIS  24 -18.288  -3.492   3.944
  221    HD1  HIS  24           HD1      HIS  24 -20.932  -6.161   3.751
  222    HD2  HIS  24           HD2      HIS  24 -18.556  -3.964   1.277
  223    HE1  HIS  24           HE1      HIS  24 -21.275  -7.098   1.487
  224    H    THR  25           HN       THR  25 -19.789  -0.964   5.897
  225    HA   THR  25           HA       THR  25 -19.072  -2.242   8.464
  226    HB   THR  25           HB       THR  25 -18.582   0.314   8.988
  227    HG1  THR  25           HG1      THR  25 -18.312   0.871   6.428
  228   1HG2  THR  25          HG21      THR  25 -16.613   0.324   7.283
  229   2HG2  THR  25          HG22      THR  25 -17.221  -1.235   6.735
  230   3HG2  THR  25          HG23      THR  25 -16.636  -1.048   8.385
  231    H    ASP  26           HN       ASP  26 -20.364   0.902   8.520
  232    HA   ASP  26           HA       ASP  26 -23.078   0.116   9.207
  233   1HB   ASP  26           HB1      ASP  26 -22.764   1.236  11.563
  234   2HB   ASP  26           HB2      ASP  26 -21.042   0.956  11.312
  235    H    VAL  27           HN       VAL  27 -21.577   1.838   7.438
  236    HA   VAL  27           HA       VAL  27 -22.269   4.552   8.370
  237    HB   VAL  27           HB       VAL  27 -20.115   4.235   7.259
  238   1HG1  VAL  27          HG11      VAL  27 -20.520   2.219   6.030
  239   2HG1  VAL  27          HG12      VAL  27 -20.093   3.450   4.850
  240   3HG1  VAL  27          HG13      VAL  27 -21.774   2.983   5.065
  241   1HG2  VAL  27          HG21      VAL  27 -21.446   5.460   4.941
  242   2HG2  VAL  27          HG22      VAL  27 -20.254   6.147   6.039
  243   3HG2  VAL  27          HG23      VAL  27 -21.957   6.140   6.483
  244    NH1  ARG  28           NH2      ARG  28 -25.407  -2.635   6.128
  245    NH2  ARG  28           NH1      ARG  28 -23.201  -2.243   6.579
  246    H    ARG  28           HN       ARG  28 -24.502   3.023   8.081
  247    HA   ARG  28           HA       ARG  28 -25.788   4.084   5.601
  248   1HB   ARG  28           HB1      ARG  28 -27.429   2.140   6.056
  249   2HB   ARG  28           HB2      ARG  28 -26.250   1.556   7.223
  250   1HG   ARG  28           HG1      ARG  28 -24.550   1.781   5.253
  251   2HG   ARG  28           HG2      ARG  28 -25.981   1.802   4.232
  252   1HD   ARG  28           HD1      ARG  28 -25.576  -0.489   4.320
  253   2HD   ARG  28           HD2      ARG  28 -26.650  -0.312   5.707
  254    HE   ARG  28           HE       ARG  28 -24.059   0.099   6.702
  255   1HH1  ARG  28          HH21      ARG  28 -26.314  -2.273   5.917
  256   2HH1  ARG  28          HH22      ARG  28 -25.267  -3.622   6.206
  257   1HH2  ARG  28          HH11      ARG  28 -22.456  -1.588   6.705
  258   2HH2  ARG  28          HH12      ARG  28 -23.024  -3.224   6.664
  259    HA   PRO  29           HA       PRO  29 -27.721   6.132   9.302
  260   1HB   PRO  29           HB1      PRO  29 -27.156   8.330   8.970
  261   2HB   PRO  29           HB2      PRO  29 -28.268   8.424   7.605
  262   1HG   PRO  29           HG1      PRO  29 -25.362   8.291   7.543
  263   2HG   PRO  29           HG2      PRO  29 -26.469   8.485   6.184
  264   1HD   PRO  29           HD1      PRO  29 -26.181   6.310   5.577
  265   2HD   PRO  29           HD2      PRO  29 -24.957   6.155   6.847
  266    OH   TYR  30           OH       TYR  30 -28.969  10.426   2.851
  267    H    TYR  30           HN       TYR  30 -28.772   5.340   6.142
  268    HA   TYR  30           HA       TYR  30 -31.546   6.212   6.668
  269   1HB   TYR  30           HB1      TYR  30 -31.972   5.306   4.377
  270   2HB   TYR  30           HB2      TYR  30 -30.349   4.633   4.334
  271    HD1  TYR  30           HD1      TYR  30 -31.994   7.914   5.092
  272    HD2  TYR  30           HD2      TYR  30 -28.728   5.923   3.233
  273    HE1  TYR  30           HE1      TYR  30 -31.141  10.066   4.284
  274    HE2  TYR  30           HE2      TYR  30 -27.874   8.075   2.430
  275    HH   TYR  30           HH       TYR  30 -28.151  10.613   3.317
  276    H    HIS  31           HN       HIS  31 -32.165   4.933   8.409
  277    HA   HIS  31           HA       HIS  31 -32.204   1.978   7.956
  278   1HB   HIS  31           HB1      HIS  31 -32.498   1.798  10.388
  279   2HB   HIS  31           HB2      HIS  31 -32.749   3.536  10.526
  280    HD1  HIS  31           HD1      HIS  31 -30.077   1.102   9.996
  281    HD2  HIS  31           HD2      HIS  31 -30.425   5.123  10.397
  282    HE1  HIS  31           HE1      HIS  31 -27.803   1.898  10.284
  283    H    CYS  32           HN       CYS  32 -34.105   0.856   7.878
  284    HA   CYS  32           HA       CYS  32 -36.502   2.312   7.261
  285   1HB   CYS  32           HB1      CYS  32 -35.903  -0.589   7.941
  286   2HB   CYS  32           HB2      CYS  32 -36.295   0.088   6.380
  287    H    THR  33           HN       THR  33 -38.503   2.309   8.455
  288    HA   THR  33           HA       THR  33 -37.996   2.633  11.355
  289    HB   THR  33           HB       THR  33 -40.404   3.336   9.571
  290    HG1  THR  33           HG1      THR  33 -39.090   5.261  10.951
  291   1HG2  THR  33          HG21      THR  33 -39.909   3.453  12.559
  292   2HG2  THR  33          HG22      THR  33 -41.441   3.268  11.713
  293   3HG2  THR  33          HG23      THR  33 -40.679   4.852  11.818
  294    OH   TYR  34           OH       TYR  34 -44.622   2.587   9.255
  295    H    TYR  34           HN       TYR  34 -38.379   0.021   9.789
  296    HA   TYR  34           HA       TYR  34 -40.244  -1.170  11.781
  297   1HB   TYR  34           HB1      TYR  34 -41.305  -2.519   9.967
  298   2HB   TYR  34           HB2      TYR  34 -40.292  -1.722   8.771
  299    HD1  TYR  34           HD2      TYR  34 -40.536   0.806   8.472
  300    HD2  TYR  34           HD1      TYR  34 -43.324  -1.497  10.711
  301    HE1  TYR  34           HE2      TYR  34 -42.192   2.602   8.258
  302    HE2  TYR  34           HE1      TYR  34 -44.977   0.302  10.496
  303    HH   TYR  34           HH       TYR  34 -45.054   2.689  10.106
  304    H    CYS  35           HN       CYS  35 -37.937  -1.759   9.185
  305    HA   CYS  35           HA       CYS  35 -37.228  -4.379  10.342
  306   1HB   CYS  35           HB1      CYS  35 -35.883  -4.630   8.317
  307   2HB   CYS  35           HB2      CYS  35 -36.050  -2.940   7.940
  308    H    ASN  36           HN       ASN  36 -34.674  -4.691   9.853
  309    HA   ASN  36           HA       ASN  36 -33.319  -2.611  11.526
  310   1HB   ASN  36           HB1      ASN  36 -32.721  -5.598  11.201
  311   2HB   ASN  36           HB2      ASN  36 -33.485  -4.863  12.607
  312   1HD2  ASN  36          HD21      ASN  36 -31.597  -2.437  12.175
  313   2HD2  ASN  36          HD22      ASN  36 -30.130  -2.948  12.859
  314    H    PHE  37           HN       PHE  37 -33.697  -3.320   8.479
  315    HA   PHE  37           HA       PHE  37 -30.885  -3.531   7.644
  316   1HB   PHE  37           HB1      PHE  37 -33.147  -2.867   5.758
  317   2HB   PHE  37           HB2      PHE  37 -33.120  -4.468   6.492
  318    HD1  PHE  37           HD2      PHE  37 -30.978  -5.861   6.253
  319    HD2  PHE  37           HD1      PHE  37 -31.697  -2.349   3.954
  320    HE1  PHE  37           HE2      PHE  37 -29.273  -6.569   4.635
  321    HE2  PHE  37           HE1      PHE  37 -29.990  -3.062   2.337
  322    HZ   PHE  37           HZ       PHE  37 -28.777  -5.170   2.677
  323    H    SER  38           HN       SER  38 -29.842  -1.941   6.346
  324    HA   SER  38           HA       SER  38 -31.084   0.743   6.356
  325   1HB   SER  38           HB1      SER  38 -28.225   0.350   7.317
  326   2HB   SER  38           HB2      SER  38 -29.583   0.328   8.449
  327    HG   SER  38           HG1      SER  38 -29.300   2.338   6.489
  328    H    PHE  39           HN       PHE  39 -30.201   2.186   4.873
  329    HA   PHE  39           HA       PHE  39 -28.461   0.907   2.798
  330   1HB   PHE  39           HB1      PHE  39 -29.797   2.015   1.133
  331   2HB   PHE  39           HB2      PHE  39 -30.503   3.108   2.320
  332    HD1  PHE  39           HD2      PHE  39 -32.051   2.148   4.085
  333    HD2  PHE  39           HD1      PHE  39 -30.771  -0.147   0.739
  334    HE1  PHE  39           HE2      PHE  39 -33.887   0.566   4.470
  335    HE2  PHE  39           HE1      PHE  39 -32.606  -1.733   1.133
  336    HZ   PHE  39           HZ       PHE  39 -34.162  -1.377   3.001
  337    H    LYS  40           HN       LYS  40 -27.079   2.332   1.616
  338    HA   LYS  40           HA       LYS  40 -25.966   4.444   3.319
  339   1HB   LYS  40           HB1      LYS  40 -25.180   3.195   0.649
  340   2HB   LYS  40           HB2      LYS  40 -24.411   2.942   2.197
  341   1HG   LYS  40           HG1      LYS  40 -24.394   5.546   0.623
  342   2HG   LYS  40           HG2      LYS  40 -23.044   4.445   0.812
  343   1HD   LYS  40           HD1      LYS  40 -23.279   4.772   3.327
  344   2HD   LYS  40           HD2      LYS  40 -24.371   6.100   2.969
  345   1HE   LYS  40           HE1      LYS  40 -22.088   6.954   3.258
  346   2HE   LYS  40           HE2      LYS  40 -22.598   7.161   1.588
  347   1HZ   LYS  40           HZ1      LYS  40 -20.311   5.995   2.360
  348   2HZ   LYS  40           HZ2      LYS  40 -21.065   5.742   0.859
  349   3HZ   LYS  40           HZ3      LYS  40 -21.310   4.642   2.129
  350    H    THR  41           HN       THR  41 -28.174   4.188   0.767
  351    HA   THR  41           HA       THR  41 -27.939   7.126   0.243
  352    HB   THR  41           HB       THR  41 -28.473   6.706  -2.070
  353    HG1  THR  41           HG1      THR  41 -30.254   5.370  -1.476
  354   1HG2  THR  41          HG21      THR  41 -26.913   4.974  -2.776
  355   2HG2  THR  41          HG22      THR  41 -27.204   4.017  -1.326
  356   3HG2  THR  41          HG23      THR  41 -26.248   5.493  -1.230
  357    H    LYS  42           HN       LYS  42 -29.881   8.232  -0.211
  358    HA   LYS  42           HA       LYS  42 -32.071   7.327   1.454
  359   1HB   LYS  42           HB1      LYS  42 -31.717   9.768  -0.343
  360   2HB   LYS  42           HB2      LYS  42 -31.470   9.718   1.399
  361   1HG   LYS  42           HG1      LYS  42 -33.921   8.966   1.572
  362   2HG   LYS  42           HG2      LYS  42 -34.076   9.430  -0.118
  363   1HD   LYS  42           HD1      LYS  42 -32.786  11.615   1.010
  364   2HD   LYS  42           HD2      LYS  42 -33.912  11.127   2.271
  365   1HE   LYS  42           HE1      LYS  42 -35.127  12.639   0.866
  366   2HE   LYS  42           HE2      LYS  42 -35.703  11.031   0.448
  367   1HZ   LYS  42           HZ1      LYS  42 -33.470  12.270  -1.025
  368   2HZ   LYS  42           HZ2      LYS  42 -35.083  12.618  -1.428
  369   3HZ   LYS  42           HZ3      LYS  42 -34.510  11.022  -1.517
  370    H    GLY  43           HN       GLY  43 -31.206   7.044  -1.816
  371   1HA   GLY  43           HA1      GLY  43 -32.383   6.253  -3.692
  372   2HA   GLY  43           HA2      GLY  43 -33.823   7.006  -3.010
  373    H    ASN  44           HN       ASN  44 -31.679   4.250  -2.316
  374    HA   ASN  44           HA       ASN  44 -33.481   2.189  -2.693
  375   1HB   ASN  44           HB1      ASN  44 -32.148   1.085  -0.701
  376   2HB   ASN  44           HB2      ASN  44 -31.225   2.582  -0.695
  377   1HD2  ASN  44          HD21      ASN  44 -31.648   2.848  -3.707
  378   2HD2  ASN  44          HD22      ASN  44 -30.550   1.749  -4.390
  379    H    LEU  45           HN       LEU  45 -33.300   4.407   0.002
  380    HA   LEU  45           HA       LEU  45 -34.956   3.008   1.836
  381   1HB   LEU  45           HB1      LEU  45 -35.034   6.024   1.434
  382   2HB   LEU  45           HB2      LEU  45 -33.583   5.258   2.057
  383    HG   LEU  45           HG       LEU  45 -35.059   6.084   3.885
  384   1HD1  LEU  45          HD11      LEU  45 -37.261   5.283   4.237
  385   2HD1  LEU  45          HD12      LEU  45 -37.069   3.963   3.097
  386   3HD1  LEU  45          HD13      LEU  45 -37.193   5.613   2.510
  387   1HD2  LEU  45          HD21      LEU  45 -35.271   3.108   4.140
  388   2HD2  LEU  45          HD22      LEU  45 -34.607   4.290   5.258
  389   3HD2  LEU  45          HD23      LEU  45 -33.677   3.782   3.858
  390    H    THR  46           HN       THR  46 -35.873   5.641  -0.385
  391    HA   THR  46           HA       THR  46 -38.654   5.460  -0.021
  392    HB   THR  46           HB       THR  46 -37.181   6.064  -2.657
  393    HG1  THR  46           HG1      THR  46 -37.048   7.142  -0.245
  394   1HG2  THR  46          HG21      THR  46 -39.870   6.899  -1.429
  395   2HG2  THR  46          HG22      THR  46 -39.640   6.067  -2.964
  396   3HG2  THR  46          HG23      THR  46 -39.143   7.747  -2.790
  397    H    LYS  47           HN       LYS  47 -36.496   3.497  -1.955
  398    HA   LYS  47           HA       LYS  47 -38.597   2.165  -3.436
  399   1HB   LYS  47           HB1      LYS  47 -35.755   1.248  -2.781
  400   2HB   LYS  47           HB2      LYS  47 -36.203   2.222  -4.178
  401   1HG   LYS  47           HG1      LYS  47 -37.890   0.287  -4.679
  402   2HG   LYS  47           HG2      LYS  47 -36.878  -0.657  -3.591
  403   1HD   LYS  47           HD1      LYS  47 -34.895  -0.123  -4.966
  404   2HD   LYS  47           HD2      LYS  47 -35.899   0.835  -6.049
  405   1HE   LYS  47           HE1      LYS  47 -37.299  -1.256  -6.422
  406   2HE   LYS  47           HE2      LYS  47 -36.060  -2.151  -5.552
  407   1HZ   LYS  47           HZ1      LYS  47 -36.072  -1.569  -8.218
  408   2HZ   LYS  47           HZ2      LYS  47 -34.753  -2.150  -7.320
  409   3HZ   LYS  47           HZ3      LYS  47 -34.942  -0.480  -7.570
  410    H    HIS  48           HN       HIS  48 -36.743   1.321  -0.519
  411    HA   HIS  48           HA       HIS  48 -38.011  -1.245  -0.192
  412   1HB   HIS  48           HB1      HIS  48 -36.582   0.614   1.770
  413   2HB   HIS  48           HB2      HIS  48 -35.912  -0.807   0.973
  414    HD1  HIS  48           HD1      HIS  48 -37.260  -3.061   1.690
  415    HD2  HIS  48           HD2      HIS  48 -37.684   0.096   4.252
  416    HE1  HIS  48           HE1      HIS  48 -38.095  -4.028   3.776
  417    H    MET  49           HN       MET  49 -39.047   1.963   0.446
  418    HA   MET  49           HA       MET  49 -41.078   1.071   2.402
  419   1HB   MET  49           HB1      MET  49 -41.731   3.612   2.125
  420   2HB   MET  49           HB2      MET  49 -40.209   3.744   1.250
  421   1HG   MET  49           HG1      MET  49 -39.774   4.265   3.551
  422   2HG   MET  49           HG2      MET  49 -39.050   2.720   3.194
  423   1HE   MET  49           HE1      MET  49 -38.835   3.524   5.691
  424   2HE   MET  49           HE2      MET  49 -39.852   2.825   6.950
  425   3HE   MET  49           HE3      MET  49 -40.296   4.363   6.211
  426    H    LYS  50           HN       LYS  50 -40.919   2.397  -0.880
  427    HA   LYS  50           HA       LYS  50 -43.659   2.667  -1.404
  428   1HB   LYS  50           HB1      LYS  50 -41.793   1.419  -3.446
  429   2HB   LYS  50           HB2      LYS  50 -41.529   3.078  -2.921
  430   1HG   LYS  50           HG1      LYS  50 -43.832   3.666  -3.574
  431   2HG   LYS  50           HG2      LYS  50 -44.131   2.002  -4.061
  432   1HD   LYS  50           HD1      LYS  50 -42.577   2.139  -5.863
  433   2HD   LYS  50           HD2      LYS  50 -41.860   3.618  -5.235
  434   1HE   LYS  50           HE1      LYS  50 -43.348   4.144  -7.119
  435   2HE   LYS  50           HE2      LYS  50 -44.007   4.807  -5.629
  436   1HZ   LYS  50           HZ1      LYS  50 -44.821   2.237  -6.868
  437   2HZ   LYS  50           HZ2      LYS  50 -45.691   3.694  -6.957
  438   3HZ   LYS  50           HZ3      LYS  50 -45.480   2.921  -5.460
  439    H    SER  51           HN       SER  51 -41.668  -0.247  -1.472
  440    HA   SER  51           HA       SER  51 -43.508  -2.027  -2.643
  441   1HB   SER  51           HB1      SER  51 -41.434  -2.434  -0.429
  442   2HB   SER  51           HB2      SER  51 -41.270  -2.838  -2.149
  443    HG   SER  51           HG1      SER  51 -42.483  -4.551  -1.875
  444    H    LYS  52           HN       LYS  52 -44.809  -3.691  -1.575
  445    HA   LYS  52           HA       LYS  52 -46.667  -2.483   0.284
  446   1HB   LYS  52           HB1      LYS  52 -47.684  -4.827   0.249
  447   2HB   LYS  52           HB2      LYS  52 -46.320  -5.343  -0.732
  448   1HG   LYS  52           HG1      LYS  52 -48.163  -4.793  -2.226
  449   2HG   LYS  52           HG2      LYS  52 -46.909  -3.575  -2.413
  450   1HD   LYS  52           HD1      LYS  52 -48.232  -1.914  -1.578
  451   2HD   LYS  52           HD2      LYS  52 -48.885  -2.939  -0.309
  452   1HE   LYS  52           HE1      LYS  52 -49.699  -3.046  -3.232
  453   2HE   LYS  52           HE2      LYS  52 -50.635  -2.292  -1.948
  454   1HZ   LYS  52           HZ1      LYS  52 -51.554  -4.389  -2.163
  455   2HZ   LYS  52           HZ2      LYS  52 -50.508  -4.568  -0.838
  456   3HZ   LYS  52           HZ3      LYS  52 -50.050  -5.151  -2.365
  457    H    ALA  53           HN       ALA  53 -43.681  -3.421   0.912
  458    HA   ALA  53           HA       ALA  53 -43.657  -5.304   2.959
  459   1HB   ALA  53           HB1      ALA  53 -42.064  -2.894   2.255
  460   2HB   ALA  53           HB2      ALA  53 -41.506  -4.501   2.707
  461   3HB   ALA  53           HB3      ALA  53 -41.961  -3.345   3.954
  462    H    HIS  54           HN       HIS  54 -43.576  -1.870   3.835
  463    HA   HIS  54           HA       HIS  54 -45.942  -1.981   5.432
  464   1HB   HIS  54           HB1      HIS  54 -44.850  -3.232   7.062
  465   2HB   HIS  54           HB2      HIS  54 -44.388  -1.624   7.596
  466    HD1  HIS  54           HD1      HIS  54 -42.960  -4.708   6.428
  467    HD2  HIS  54           HD2      HIS  54 -41.678  -0.832   6.670
  468    HE1  HIS  54           HE1      HIS  54 -40.515  -4.814   6.267
  469    H    SER  55           HN       SER  55 -46.535   0.000   4.916
  470    HA   SER  55           HA       SER  55 -44.865   2.242   5.836
  471   1HB   SER  55           HB1      SER  55 -45.283   3.418   3.586
  472   2HB   SER  55           HB2      SER  55 -45.862   1.862   2.960
  473    HG   SER  55           HG1      SER  55 -43.543   2.265   2.722
  474    H    LYS  56           HN       LYS  56 -46.333   2.819   7.317
  475    HA   LYS  56           HA       LYS  56 -49.177   2.937   6.843
  476   1HB   LYS  56           HB1      LYS  56 -49.250   4.004   9.064
  477   2HB   LYS  56           HB2      LYS  56 -47.529   4.362   8.987
  478   1HG   LYS  56           HG1      LYS  56 -47.045   1.919   8.887
  479   2HG   LYS  56           HG2      LYS  56 -48.765   1.584   9.032
  480   1HD   LYS  56           HD1      LYS  56 -47.426   3.344  11.080
  481   2HD   LYS  56           HD2      LYS  56 -47.241   1.599  11.194
  482   1HE   LYS  56           HE1      LYS  56 -50.017   2.559  10.727
  483   2HE   LYS  56           HE2      LYS  56 -49.329   2.960  12.293
  484   1HZ   LYS  56           HZ1      LYS  56 -49.301   0.228  11.154
  485   2HZ   LYS  56           HZ2      LYS  56 -50.515   0.801  12.194
  486   3HZ   LYS  56           HZ3      LYS  56 -48.911   0.692  12.740
  487    H    LYS  57           HN       LYS  57 -48.471   4.244   4.750
  488    HA   LYS  57           HA       LYS  57 -47.830   6.964   4.855
  489   1HB   LYS  57           HB1      LYS  57 -48.054   5.611   2.751
  490   2HB   LYS  57           HB2      LYS  57 -48.973   7.108   2.650
  491   1HG   LYS  57           HG1      LYS  57 -50.995   6.026   2.674
  492   2HG   LYS  57           HG2      LYS  57 -50.438   4.800   3.807
  493   1HD   LYS  57           HD1      LYS  57 -50.872   3.787   1.605
  494   2HD   LYS  57           HD2      LYS  57 -49.154   3.709   1.976
  495   1HE   LYS  57           HE1      LYS  57 -48.637   5.482   0.487
  496   2HE   LYS  57           HE2      LYS  57 -50.306   6.031   0.425
  497   1HZ   LYS  57           HZ1      LYS  57 -50.838   3.869  -0.662
  498   2HZ   LYS  57           HZ2      LYS  57 -49.169   3.579  -0.781
  499   3HZ   LYS  57                 LYS  57 -49.859   4.909  -1.582
   
  Start of MODEL          34
 Raw file had 499 H/Q atoms
  Start of MODEL   34
    1   1H    LYS   1           HT1      LYS   1 -10.884 -10.490 -10.089
    2   2H    LYS   1           HT2      LYS   1 -10.797  -9.383  -8.803
    3   3H    LYS   1           HT3      LYS   1 -11.269  -8.856 -10.347
    4    HA   LYS   1           HA       LYS   1 -13.295 -10.044 -10.253
    5   1HB   LYS   1           HB1      LYS   1 -13.684 -11.772  -8.761
    6   2HB   LYS   1           HB2      LYS   1 -12.924 -10.914  -7.425
    7   1HG   LYS   1           HG1      LYS   1 -10.705 -11.492  -8.240
    8   2HG   LYS   1           HG2      LYS   1 -11.383 -12.196  -9.705
    9   1HD   LYS   1           HD1      LYS   1 -12.434 -13.974  -8.461
   10   2HD   LYS   1           HD2      LYS   1 -12.073 -13.194  -6.926
   11   1HE   LYS   1           HE1      LYS   1  -9.776 -13.689  -7.068
   12   2HE   LYS   1           HE2      LYS   1  -9.837 -13.919  -8.811
   13   1HZ   LYS   1           HZ1      LYS   1 -10.988 -15.959  -8.537
   14   2HZ   LYS   1           HZ2      LYS   1 -11.183 -15.706  -6.869
   15   3HZ   LYS   1           HZ3      LYS   1  -9.636 -15.996  -7.509
   16    OH   TYR   2           OH       TYR   2  -8.953  -5.297  -8.523
   17    H    TYR   2           HN       TYR   2 -14.820  -8.596  -9.844
   18    HA   TYR   2           HA       TYR   2 -14.779  -7.128  -7.264
   19   1HB   TYR   2           HB1      TYR   2 -15.064  -4.961  -8.465
   20   2HB   TYR   2           HB2      TYR   2 -14.876  -5.791 -10.008
   21    HD1  TYR   2           HD2      TYR   2 -13.143  -4.948  -6.844
   22    HD2  TYR   2           HD1      TYR   2 -12.699  -6.388 -10.818
   23    HE1  TYR   2           HE2      TYR   2 -10.710  -4.703  -6.661
   24    HE2  TYR   2           HE1      TYR   2 -10.265  -6.163 -10.630
   25    HH   TYR   2           HH       TYR   2  -8.762  -4.806  -7.721
   26    H    ILE   3           HN       ILE   3 -16.609  -8.782  -7.260
   27    HA   ILE   3           HA       ILE   3 -19.075  -7.357  -8.118
   28    HB   ILE   3           HB       ILE   3 -18.735 -10.378  -8.382
   29   1HG1  ILE   3          HG11      ILE   3 -17.101  -9.341  -9.873
   30   2HG1  ILE   3          HG12      ILE   3 -18.318  -8.229 -10.490
   31   1HG2  ILE   3          HG21      ILE   3 -20.809 -10.252  -9.560
   32   2HG2  ILE   3          HG22      ILE   3 -20.604  -8.541  -9.927
   33   3HG2  ILE   3          HG23      ILE   3 -21.027  -9.048  -8.294
   34   1HD1  ILE   3           HD1      ILE   3 -17.805 -10.387 -11.868
   35   2HD1  ILE   3           HD2      ILE   3 -19.489  -9.942 -11.616
   36   3HD1  ILE   3           HD3      ILE   3 -18.759 -11.210 -10.638
   37    H    CYS   4           HN       CYS   4 -20.363  -7.108  -6.403
   38    HA   CYS   4           HA       CYS   4 -19.769  -8.376  -3.912
   39   1HB   CYS   4           HB1      CYS   4 -22.218  -6.903  -4.896
   40   2HB   CYS   4           HB2      CYS   4 -20.923  -6.248  -3.935
   41    H    GLU   5           HN       GLU   5 -20.135 -10.367  -3.379
   42    HA   GLU   5           HA       GLU   5 -21.754 -12.150  -4.902
   43   1HB   GLU   5           HB1      GLU   5 -21.305 -13.743  -3.029
   44   2HB   GLU   5           HB2      GLU   5 -20.714 -12.410  -2.044
   45   1HG   GLU   5           HG1      GLU   5 -18.688 -12.451  -3.061
   46   2HG   GLU   5           HG2      GLU   5 -19.422 -12.466  -4.663
   47    H    GLU   6           HN       GLU   6 -22.582  -9.889  -2.495
   48    HA   GLU   6           HA       GLU   6 -24.976 -11.359  -1.679
   49   1HB   GLU   6           HB1      GLU   6 -24.307  -8.490  -0.950
   50   2HB   GLU   6           HB2      GLU   6 -23.499  -9.835  -0.155
   51   1HG   GLU   6           HG1      GLU   6 -25.702 -10.754   0.516
   52   2HG   GLU   6           HG2      GLU   6 -26.504  -9.399  -0.271
   53    H    CYS   7           HN       CYS   7 -24.540  -7.985  -2.734
   54    HA   CYS   7           HA       CYS   7 -27.258  -7.878  -3.735
   55   1HB   CYS   7           HB1      CYS   7 -26.717  -5.652  -4.428
   56   2HB   CYS   7           HB2      CYS   7 -25.020  -6.008  -4.536
   57    H    GLY   8           HN       GLY   8 -24.063  -8.003  -5.260
   58   1HA   GLY   8           HA1      GLY   8 -25.374  -9.052  -7.730
   59   2HA   GLY   8           HA2      GLY   8 -23.706  -9.375  -7.265
   60    H    ILE   9           HN       ILE   9 -23.639  -6.407  -6.421
   61    HA   ILE   9           HA       ILE   9 -23.970  -4.814  -8.736
   62    HB   ILE   9           HB       ILE   9 -23.520  -4.128  -6.245
   63   1HG1  ILE   9          HG11      ILE   9 -22.539  -2.804  -8.744
   64   2HG1  ILE   9          HG12      ILE   9 -22.106  -2.078  -7.199
   65   1HG2  ILE   9          HG21      ILE   9 -21.234  -5.428  -6.377
   66   2HG2  ILE   9          HG22      ILE   9 -21.224  -3.854  -5.600
   67   3HG2  ILE   9          HG23      ILE   9 -20.645  -4.023  -7.251
   68   1HD1  ILE   9           HD1      ILE   9 -24.389  -1.793  -6.573
   69   2HD1  ILE   9           HD2      ILE   9 -24.951  -2.886  -7.833
   70   3HD1  ILE   9           HD3      ILE   9 -24.323  -1.299  -8.263
   71    NH1  ARG  10           NH2      ARG  10 -18.423  -6.521 -16.136
   72    NH2  ARG  10           NH1      ARG  10 -20.298  -7.669 -16.758
   73    H    ARG  10           HN       ARG  10 -22.704  -4.378 -10.450
   74    HA   ARG  10           HA       ARG  10 -20.191  -5.971 -10.701
   75   1HB   ARG  10           HB1      ARG  10 -21.883  -4.692 -12.894
   76   2HB   ARG  10           HB2      ARG  10 -22.120  -6.342 -12.332
   77   1HG   ARG  10           HG1      ARG  10 -19.317  -5.911 -12.873
   78   2HG   ARG  10           HG2      ARG  10 -20.259  -5.428 -14.277
   79   1HD   ARG  10           HD1      ARG  10 -21.462  -7.616 -14.188
   80   2HD   ARG  10           HD2      ARG  10 -20.429  -8.100 -12.844
   81    HE   ARG  10           HE       ARG  10 -18.789  -8.611 -14.447
   82   1HH1  ARG  10          HH21      ARG  10 -17.741  -6.310 -15.435
   83   2HH1  ARG  10          HH22      ARG  10 -18.368  -6.085 -17.034
   84   1HH2  ARG  10          HH11      ARG  10 -21.021  -8.319 -16.524
   85   2HH2  ARG  10          HH12      ARG  10 -20.274  -7.253 -17.666
   86    H    ABA  11           HN       ABU  11 -18.461  -4.759 -10.263
   87    HA   ABA  11           HA       ABU  11 -18.248  -2.109 -11.626
   88   1HB   ABA  11           HB1      ABU  11 -17.246  -1.165  -9.597
   89   2HB   ABA  11           HB2      ABU  11 -17.318  -2.714  -8.793
   90   1HG   ABA  11           HG1      ABU  11 -19.702  -1.080  -9.706
   91   2HG   ABA  11           HG2      ABU  11 -19.185  -1.312  -8.037
   92   3HG   ABA  11           HG3      ABU  11 -19.801  -2.674  -8.967
   93    H    LYS  12           HN       LYS  12 -16.822  -2.809 -13.142
   94    HA   LYS  12           HA       LYS  12 -14.700  -4.611 -12.800
   95   1HB   LYS  12           HB1      LYS  12 -13.719  -3.390 -14.825
   96   2HB   LYS  12           HB2      LYS  12 -15.026  -2.222 -14.661
   97   1HG   LYS  12           HG1      LYS  12 -16.682  -4.062 -14.880
   98   2HG   LYS  12           HG2      LYS  12 -15.367  -5.215 -15.071
   99   1HD   LYS  12           HD1      LYS  12 -15.414  -2.827 -16.882
  100   2HD   LYS  12           HD2      LYS  12 -16.561  -4.123 -17.195
  101   1HE   LYS  12           HE1      LYS  12 -14.882  -5.683 -17.643
  102   2HE   LYS  12           HE2      LYS  12 -13.684  -4.821 -16.686
  103   1HZ   LYS  12           HZ1      LYS  12 -14.746  -3.426 -19.007
  104   2HZ   LYS  12           HZ2      LYS  12 -13.736  -4.754 -19.320
  105   3HZ   LYS  12           HZ3      LYS  12 -13.168  -3.457 -18.383
  106    H    LYS  13           HN       LYS  13 -14.964  -1.454 -11.512
  107    HA   LYS  13           HA       LYS  13 -12.006  -1.283 -11.220
  108   1HB   LYS  13           HB1      LYS  13 -12.595   1.127 -10.466
  109   2HB   LYS  13           HB2      LYS  13 -14.227   0.777 -11.021
  110   1HG   LYS  13           HG1      LYS  13 -13.432   1.542 -13.027
  111   2HG   LYS  13           HG2      LYS  13 -12.778  -0.087 -13.166
  112   1HD   LYS  13           HD1      LYS  13 -10.667   0.703 -12.089
  113   2HD   LYS  13           HD2      LYS  13 -11.324   2.336 -12.049
  114   1HE   LYS  13           HE1      LYS  13  -9.942   2.158 -14.028
  115   2HE   LYS  13           HE2      LYS  13 -11.619   2.189 -14.557
  116   1HZ   LYS  13           HZ1      LYS  13  -9.705  -0.018 -14.569
  117   2HZ   LYS  13           HZ2      LYS  13 -10.860   0.425 -15.732
  118   3HZ   LYS  13           HZ3      LYS  13 -11.343  -0.392 -14.323
  119    HA   PRO  14           HA       PRO  14 -12.303  -2.255  -6.889
  120   1HB   PRO  14           HB1      PRO  14 -10.046  -2.185  -6.415
  121   2HB   PRO  14           HB2      PRO  14 -10.237  -0.483  -5.995
  122   1HG   PRO  14           HG1      PRO  14  -8.763  -1.495  -8.192
  123   2HG   PRO  14           HG2      PRO  14  -9.220   0.191  -7.944
  124   1HD   PRO  14           HD1      PRO  14 -10.551   0.004  -9.804
  125   2HD   PRO  14           HD2      PRO  14 -10.302  -1.754  -9.845
  126    H    SER  15           HN       SER  15 -11.204   1.134  -6.965
  127    HA   SER  15           HA       SER  15 -12.333   2.260  -4.797
  128   1HB   SER  15           HB1      SER  15 -11.274   3.693  -6.484
  129   2HB   SER  15           HB2      SER  15 -12.933   4.297  -6.305
  130    HG   SER  15           HG1      SER  15 -13.490   3.387  -8.161
  131    H    MET  16           HN       MET  16 -14.219   1.458  -7.689
  132    HA   MET  16           HA       MET  16 -16.698   2.423  -6.573
  133   1HB   MET  16           HB1      MET  16 -17.626   0.809  -8.436
  134   2HB   MET  16           HB2      MET  16 -15.932   0.604  -8.878
  135   1HG   MET  16           HG1      MET  16 -15.811   3.168  -8.863
  136   2HG   MET  16           HG2      MET  16 -17.555   3.142  -8.833
  137   1HE   MET  16           HE1      MET  16 -18.713   2.078 -12.198
  138   2HE   MET  16           HE2      MET  16 -19.051   2.993 -10.729
  139   3HE   MET  16           HE3      MET  16 -18.713   1.265 -10.633
  140    H    LEU  17           HN       LEU  17 -15.369  -0.883  -6.989
  141    HA   LEU  17           HA       LEU  17 -17.525  -2.102  -5.521
  142   1HB   LEU  17           HB1      LEU  17 -14.713  -3.243  -5.751
  143   2HB   LEU  17           HB2      LEU  17 -15.758  -3.184  -7.149
  144    HG   LEU  17           HG       LEU  17 -15.835  -5.398  -5.955
  145   1HD1  LEU  17          HD11      LEU  17 -17.304  -3.970  -3.738
  146   2HD1  LEU  17          HD12      LEU  17 -15.579  -4.301  -3.662
  147   3HD1  LEU  17          HD13      LEU  17 -16.726  -5.626  -3.777
  148   1HD2  LEU  17          HD21      LEU  17 -18.135  -5.737  -6.237
  149   2HD2  LEU  17          HD22      LEU  17 -17.861  -4.307  -7.213
  150   3HD2  LEU  17          HD23      LEU  17 -18.565  -4.151  -5.615
  151    H    LYS  18           HN       LYS  18 -14.107  -1.588  -4.681
  152    HA   LYS  18           HA       LYS  18 -13.959  -2.303  -2.071
  153   1HB   LYS  18           HB1      LYS  18 -12.910   0.147  -3.515
  154   2HB   LYS  18           HB2      LYS  18 -12.012  -1.246  -2.923
  155   1HG   LYS  18           HG1      LYS  18 -12.762  -0.429  -0.557
  156   2HG   LYS  18           HG2      LYS  18 -13.093   1.101  -1.364
  157   1HD   LYS  18           HD1      LYS  18 -10.749   1.073  -2.258
  158   2HD   LYS  18           HD2      LYS  18 -10.440  -0.371  -1.298
  159   1HE   LYS  18           HE1      LYS  18  -9.997   0.941   0.483
  160   2HE   LYS  18           HE2      LYS  18 -11.656   1.524   0.439
  161   1HZ   LYS  18           HZ1      LYS  18 -10.999   3.228  -1.117
  162   2HZ   LYS  18           HZ2      LYS  18  -9.402   2.651  -1.124
  163   3HZ   LYS  18           HZ3      LYS  18 -10.054   3.326   0.291
  164    H    LYS  19           HN       LYS  19 -15.419   0.736  -3.188
  165    HA   LYS  19           HA       LYS  19 -16.137   1.565  -0.535
  166   1HB   LYS  19           HB1      LYS  19 -17.886   2.922  -2.136
  167   2HB   LYS  19           HB2      LYS  19 -16.709   2.431  -3.347
  168   1HG   LYS  19           HG1      LYS  19 -14.893   3.424  -1.994
  169   2HG   LYS  19           HG2      LYS  19 -16.065   3.907  -0.771
  170   1HD   LYS  19           HD1      LYS  19 -17.272   5.213  -2.582
  171   2HD   LYS  19           HD2      LYS  19 -15.909   4.872  -3.644
  172   1HE   LYS  19           HE1      LYS  19 -14.477   5.819  -1.646
  173   2HE   LYS  19           HE2      LYS  19 -15.993   6.567  -1.160
  174   1HZ   LYS  19           HZ1      LYS  19 -15.235   8.172  -2.522
  175   2HZ   LYS  19           HZ2      LYS  19 -15.989   7.216  -3.708
  176   3HZ   LYS  19           HZ3      LYS  19 -14.310   7.109  -3.471
  177    H    HIS  20           HN       HIS  20 -17.798  -0.090  -3.165
  178    HA   HIS  20           HA       HIS  20 -20.386  -0.165  -2.017
  179   1HB   HIS  20           HB1      HIS  20 -18.987  -2.233  -3.764
  180   2HB   HIS  20           HB2      HIS  20 -19.936  -0.876  -4.363
  181    HD1  HIS  20           HD1      HIS  20 -22.356  -1.454  -4.590
  182    HD2  HIS  20           HD2      HIS  20 -20.491  -4.076  -2.102
  183    HE1  HIS  20           HE1      HIS  20 -24.057  -3.106  -3.988
  184    H    ILE  21           HN       ILE  21 -17.813  -2.634  -1.925
  185    HA   ILE  21           HA       ILE  21 -19.188  -4.400  -0.199
  186    HB   ILE  21           HB       ILE  21 -16.810  -4.559  -1.491
  187   1HG1  ILE  21          HG11      ILE  21 -17.567  -6.001   1.077
  188   2HG1  ILE  21          HG12      ILE  21 -16.262  -6.518   0.019
  189   1HG2  ILE  21          HG21      ILE  21 -14.919  -4.343  -0.009
  190   2HG2  ILE  21          HG22      ILE  21 -15.940  -4.225   1.419
  191   3HG2  ILE  21          HG23      ILE  21 -15.855  -2.894   0.280
  192   1HD1  ILE  21           HD1      ILE  21 -18.520  -6.092  -1.660
  193   2HD1  ILE  21           HD2      ILE  21 -19.100  -6.987  -0.261
  194   3HD1  ILE  21           HD3      ILE  21 -17.782  -7.631  -1.233
  195    NH1  ARG  22           NH2      ARG  22 -12.783  -1.952   3.462
  196    NH2  ARG  22           NH1      ARG  22 -11.746  -0.971   1.676
  197    H    ARG  22           HN       ARG  22 -17.425  -1.456   0.485
  198    HA   ARG  22           HA       ARG  22 -17.309  -1.935   3.361
  199   1HB   ARG  22           HB1      ARG  22 -16.920   0.676   3.291
  200   2HB   ARG  22           HB2      ARG  22 -16.873   0.461   1.544
  201   1HG   ARG  22           HG1      ARG  22 -15.066  -1.190   1.768
  202   2HG   ARG  22           HG2      ARG  22 -15.142  -1.063   3.522
  203   1HD   ARG  22           HD1      ARG  22 -14.718   1.475   3.155
  204   2HD   ARG  22           HD2      ARG  22 -14.210   1.011   1.531
  205    HE   ARG  22           HE       ARG  22 -12.503   0.842   3.692
  206   1HH1  ARG  22          HH21      ARG  22 -13.366  -1.862   4.268
  207   2HH1  ARG  22          HH22      ARG  22 -12.411  -2.846   3.209
  208   1HH2  ARG  22          HH11      ARG  22 -11.555  -0.146   1.144
  209   2HH2  ARG  22          HH12      ARG  22 -11.359  -1.849   1.394
  210    H    THR  23           HN       THR  23 -19.748  -0.905   1.198
  211    HA   THR  23           HA       THR  23 -21.225   0.720   3.094
  212    HB   THR  23           HB       THR  23 -22.514  -0.831   0.788
  213    HG1  THR  23           HG1      THR  23 -20.301   0.565   0.689
  214   1HG2  THR  23          HG21      THR  23 -22.778   2.130   1.168
  215   2HG2  THR  23          HG22      THR  23 -23.459   1.179   2.485
  216   3HG2  THR  23          HG23      THR  23 -24.045   0.952   0.840
  217    H    HIS  24           HN       HIS  24 -20.784  -2.669   2.724
  218    HA   HIS  24           HA       HIS  24 -23.327  -3.360   4.052
  219   1HB   HIS  24           HB1      HIS  24 -22.166  -5.693   4.114
  220   2HB   HIS  24           HB2      HIS  24 -20.869  -4.948   3.185
  221    HD1  HIS  24           HD1      HIS  24 -24.598  -5.312   2.850
  222    HD2  HIS  24           HD2      HIS  24 -21.286  -5.021   0.486
  223    HE1  HIS  24           HE1      HIS  24 -25.402  -5.618   0.532
  224    H    THR  25           HN       THR  25 -20.830  -1.807   5.195
  225    HA   THR  25           HA       THR  25 -20.203  -3.444   7.548
  226    HB   THR  25           HB       THR  25 -18.943  -1.241   8.160
  227    HG1  THR  25           HG1      THR  25 -18.919   0.063   6.123
  228   1HG2  THR  25          HG21      THR  25 -17.339  -1.397   6.221
  229   2HG2  THR  25          HG22      THR  25 -18.522  -2.354   5.334
  230   3HG2  THR  25          HG23      THR  25 -17.764  -3.010   6.783
  231    H    ASP  26           HN       ASP  26 -20.614  -0.108   8.038
  232    HA   ASP  26           HA       ASP  26 -23.292  -0.370   9.214
  233   1HB   ASP  26           HB1      ASP  26 -22.473   0.452  11.454
  234   2HB   ASP  26           HB2      ASP  26 -20.815   0.349  10.867
  235    H    VAL  27           HN       VAL  27 -21.874   1.047   7.126
  236    HA   VAL  27           HA       VAL  27 -22.047   3.858   8.061
  237    HB   VAL  27           HB       VAL  27 -20.006   3.179   6.854
  238   1HG1  VAL  27          HG11      VAL  27 -21.847   2.463   4.554
  239   2HG1  VAL  27          HG12      VAL  27 -21.056   1.298   5.601
  240   3HG1  VAL  27          HG13      VAL  27 -20.092   2.336   4.562
  241   1HG2  VAL  27          HG21      VAL  27 -19.905   5.155   5.733
  242   2HG2  VAL  27          HG22      VAL  27 -21.579   5.377   6.229
  243   3HG2  VAL  27          HG23      VAL  27 -21.213   4.699   4.647
  244    NH1  ARG  28           NH1      ARG  28 -27.327  -1.968   3.229
  245    NH2  ARG  28           NH2      ARG  28 -25.263  -2.803   2.714
  246    H    ARG  28           HN       ARG  28 -24.455   2.588   7.880
  247    HA   ARG  28           HA       ARG  28 -25.721   3.901   5.507
  248   1HB   ARG  28           HB1      ARG  28 -27.466   2.001   5.797
  249   2HB   ARG  28           HB2      ARG  28 -26.272   1.212   6.820
  250   1HG   ARG  28           HG1      ARG  28 -24.695   1.766   4.723
  251   2HG   ARG  28           HG2      ARG  28 -26.235   1.686   3.876
  252   1HD   ARG  28           HD1      ARG  28 -26.575  -0.531   5.242
  253   2HD   ARG  28           HD2      ARG  28 -24.824  -0.474   5.430
  254    HE   ARG  28           HE       ARG  28 -24.981  -0.183   2.771
  255   1HH1  ARG  28          HH11      ARG  28 -27.885  -1.201   3.546
  256   2HH1  ARG  28          HH12      ARG  28 -27.760  -2.837   2.993
  257   1HH2  ARG  28          HH21      ARG  28 -24.276  -2.663   2.645
  258   2HH2  ARG  28          HH22      ARG  28 -25.661  -3.687   2.469
  259    HA   PRO  29           HA       PRO  29 -27.487   5.607   9.440
  260   1HB   PRO  29           HB1      PRO  29 -26.979   7.836   9.248
  261   2HB   PRO  29           HB2      PRO  29 -28.150   8.014   7.941
  262   1HG   PRO  29           HG1      PRO  29 -25.239   7.882   7.753
  263   2HG   PRO  29           HG2      PRO  29 -26.401   8.219   6.469
  264   1HD   PRO  29           HD1      PRO  29 -26.207   6.103   5.655
  265   2HD   PRO  29           HD2      PRO  29 -24.889   5.825   6.810
  266    OH   TYR  30           OH       TYR  30 -29.721  10.843   3.213
  267    H    TYR  30           HN       TYR  30 -28.818   5.746   6.155
  268    HA   TYR  30           HA       TYR  30 -31.521   6.306   6.966
  269   1HB   TYR  30           HB1      TYR  30 -32.086   5.370   4.670
  270   2HB   TYR  30           HB2      TYR  30 -30.404   4.883   4.502
  271    HD1  TYR  30           HD1      TYR  30 -32.470   7.906   5.290
  272    HD2  TYR  30           HD2      TYR  30 -28.871   6.411   3.582
  273    HE1  TYR  30           HE1      TYR  30 -31.887  10.165   4.539
  274    HE2  TYR  30           HE2      TYR  30 -28.291   8.671   2.831
  275    HH   TYR  30           HH       TYR  30 -29.746  10.853   2.254
  276    H    HIS  31           HN       HIS  31 -32.173   4.979   8.643
  277    HA   HIS  31           HA       HIS  31 -32.167   2.032   8.158
  278   1HB   HIS  31           HB1      HIS  31 -32.751   1.905  10.597
  279   2HB   HIS  31           HB2      HIS  31 -32.810   3.664  10.668
  280    HD1  HIS  31           HD1      HIS  31 -30.330   1.015   9.935
  281    HD2  HIS  31           HD2      HIS  31 -30.400   4.879  11.162
  282    HE1  HIS  31           HE1      HIS  31 -28.023   1.537  10.477
  283    H    CYS  32           HN       CYS  32 -34.054   0.892   7.870
  284    HA   CYS  32           HA       CYS  32 -36.423   2.256   7.098
  285   1HB   CYS  32           HB1      CYS  32 -35.794  -0.579   7.959
  286   2HB   CYS  32           HB2      CYS  32 -36.257  -0.003   6.379
  287    H    THR  33           HN       THR  33 -38.435   2.504   8.176
  288    HA   THR  33           HA       THR  33 -38.108   3.066  11.034
  289    HB   THR  33           HB       THR  33 -40.641   3.267   9.304
  290    HG1  THR  33           HG1      THR  33 -38.795   4.397   8.508
  291   1HG2  THR  33          HG21      THR  33 -41.538   4.251  11.206
  292   2HG2  THR  33          HG22      THR  33 -40.169   5.357  11.280
  293   3HG2  THR  33          HG23      THR  33 -40.086   3.797  12.091
  294    OH   TYR  34           OH       TYR  34 -44.658   2.417   9.015
  295    H    TYR  34           HN       TYR  34 -38.268   0.259   9.765
  296    HA   TYR  34           HA       TYR  34 -40.008  -0.842  11.900
  297   1HB   TYR  34           HB1      TYR  34 -41.099  -2.400  10.304
  298   2HB   TYR  34           HB2      TYR  34 -40.160  -1.735   8.975
  299    HD1  TYR  34           HD2      TYR  34 -40.536   0.688   8.309
  300    HD2  TYR  34           HD1      TYR  34 -43.103  -1.323  11.038
  301    HE1  TYR  34           HE2      TYR  34 -42.280   2.361   7.902
  302    HE2  TYR  34           HE1      TYR  34 -44.846   0.354  10.628
  303    HH   TYR  34           HH       TYR  34 -44.776   2.498   8.066
  304    H    CYS  35           HN       CYS  35 -38.306  -2.114   9.058
  305    HA   CYS  35           HA       CYS  35 -37.270  -4.413  10.383
  306   1HB   CYS  35           HB1      CYS  35 -35.800  -4.610   8.437
  307   2HB   CYS  35           HB2      CYS  35 -36.006  -2.927   8.054
  308    H    ASN  36           HN       ASN  36 -34.639  -4.523   9.806
  309    HA   ASN  36           HA       ASN  36 -33.416  -2.473  11.607
  310   1HB   ASN  36           HB1      ASN  36 -32.641  -5.417  11.258
  311   2HB   ASN  36           HB2      ASN  36 -33.587  -4.798  12.610
  312   1HD2  ASN  36          HD21      ASN  36 -32.114  -2.294  12.909
  313   2HD2  ASN  36          HD22      ASN  36 -30.576  -2.686  13.512
  314    H    PHE  37           HN       PHE  37 -33.685  -3.375   8.540
  315    HA   PHE  37           HA       PHE  37 -30.870  -3.430   7.747
  316   1HB   PHE  37           HB1      PHE  37 -33.175  -2.853   5.867
  317   2HB   PHE  37           HB2      PHE  37 -33.005  -4.467   6.552
  318    HD1  PHE  37           HD2      PHE  37 -30.763  -5.677   6.239
  319    HD2  PHE  37           HD1      PHE  37 -31.790  -2.161   4.062
  320    HE1  PHE  37           HE2      PHE  37 -29.027  -6.191   4.581
  321    HE2  PHE  37           HE1      PHE  37 -30.052  -2.682   2.408
  322    HZ   PHE  37           HZ       PHE  37 -28.670  -4.696   2.666
  323    H    SER  38           HN       SER  38 -30.084  -1.831   6.104
  324    HA   SER  38           HA       SER  38 -31.325   0.826   6.343
  325   1HB   SER  38           HB1      SER  38 -28.414   0.364   7.146
  326   2HB   SER  38           HB2      SER  38 -29.733   0.530   8.313
  327    HG   SER  38           HG1      SER  38 -29.210   2.366   6.219
  328    H    PHE  39           HN       PHE  39 -30.074   2.460   5.053
  329    HA   PHE  39           HA       PHE  39 -28.649   1.190   2.763
  330   1HB   PHE  39           HB1      PHE  39 -30.064   2.363   1.206
  331   2HB   PHE  39           HB2      PHE  39 -30.716   3.401   2.476
  332    HD1  PHE  39           HD2      PHE  39 -32.217   2.407   4.235
  333    HD2  PHE  39           HD1      PHE  39 -30.996   0.168   0.823
  334    HE1  PHE  39           HE2      PHE  39 -33.970   0.750   4.691
  335    HE2  PHE  39           HE1      PHE  39 -32.762  -1.478   1.277
  336    HZ   PHE  39           HZ       PHE  39 -34.246  -1.190   3.214
  337    H    LYS  40           HN       LYS  40 -27.397   2.706   1.499
  338    HA   LYS  40           HA       LYS  40 -26.136   4.721   3.233
  339   1HB   LYS  40           HB1      LYS  40 -25.533   3.651   0.437
  340   2HB   LYS  40           HB2      LYS  40 -24.712   3.211   1.919
  341   1HG   LYS  40           HG1      LYS  40 -24.658   5.942   0.583
  342   2HG   LYS  40           HG2      LYS  40 -23.328   4.800   0.680
  343   1HD   LYS  40           HD1      LYS  40 -23.793   4.960   3.279
  344   2HD   LYS  40           HD2      LYS  40 -24.509   6.503   2.844
  345   1HE   LYS  40           HE1      LYS  40 -21.661   5.587   2.519
  346   2HE   LYS  40           HE2      LYS  40 -22.263   7.083   3.220
  347   1HZ   LYS  40           HZ1      LYS  40 -21.689   6.437   0.476
  348   2HZ   LYS  40           HZ2      LYS  40 -21.750   7.947   1.250
  349   3HZ   LYS  40           HZ3      LYS  40 -23.181   7.219   0.697
  350    H    THR  41           HN       THR  41 -28.486   4.621   0.757
  351    HA   THR  41           HA       THR  41 -28.336   7.602   0.535
  352    HB   THR  41           HB       THR  41 -28.718   7.467  -1.861
  353    HG1  THR  41           HG1      THR  41 -29.649   5.685  -2.687
  354   1HG2  THR  41          HG21      THR  41 -26.948   5.985  -2.681
  355   2HG2  THR  41          HG22      THR  41 -27.145   4.890  -1.316
  356   3HG2  THR  41          HG23      THR  41 -26.403   6.469  -1.078
  357    H    LYS  42           HN       LYS  42 -30.327   8.637   0.036
  358    HA   LYS  42           HA       LYS  42 -32.540   7.491   1.463
  359   1HB   LYS  42           HB1      LYS  42 -32.479   9.913  -0.394
  360   2HB   LYS  42           HB2      LYS  42 -32.050   9.966   1.310
  361   1HG   LYS  42           HG1      LYS  42 -34.381   8.945   1.747
  362   2HG   LYS  42           HG2      LYS  42 -34.750   9.379   0.082
  363   1HD   LYS  42           HD1      LYS  42 -33.637  11.707   0.964
  364   2HD   LYS  42           HD2      LYS  42 -34.378  11.126   2.451
  365   1HE   LYS  42           HE1      LYS  42 -35.991  12.495   1.215
  366   2HE   LYS  42           HE2      LYS  42 -36.529  10.820   1.227
  367   1HZ   LYS  42           HZ1      LYS  42 -34.954  11.008  -0.990
  368   2HZ   LYS  42           HZ2      LYS  42 -35.806  12.477  -0.977
  369   3HZ   LYS  42           HZ3      LYS  42 -36.651  11.005  -0.962
  370    H    GLY  43           HN       GLY  43 -31.468   7.365  -1.776
  371   1HA   GLY  43           HA1      GLY  43 -32.430   6.424  -3.703
  372   2HA   GLY  43           HA2      GLY  43 -33.979   7.028  -3.116
  373    H    ASN  44           HN       ASN  44 -31.622   4.434  -2.531
  374    HA   ASN  44           HA       ASN  44 -33.327   2.279  -2.875
  375   1HB   ASN  44           HB1      ASN  44 -31.784   1.102  -1.173
  376   2HB   ASN  44           HB2      ASN  44 -31.013   2.667  -0.922
  377   1HD2  ASN  44          HD21      ASN  44 -29.660   0.363  -2.061
  378   2HD2  ASN  44          HD22      ASN  44 -29.238   0.757  -3.657
  379    H    LEU  45           HN       LEU  45 -32.981   4.329  -0.043
  380    HA   LEU  45           HA       LEU  45 -34.489   2.728   1.762
  381   1HB   LEU  45           HB1      LEU  45 -34.131   5.768   1.546
  382   2HB   LEU  45           HB2      LEU  45 -33.165   4.676   2.516
  383    HG   LEU  45           HG       LEU  45 -34.660   5.682   4.070
  384   1HD1  LEU  45          HD11      LEU  45 -37.239   4.972   2.802
  385   2HD1  LEU  45          HD12      LEU  45 -36.328   6.191   1.930
  386   3HD1  LEU  45          HD13      LEU  45 -36.753   6.453   3.612
  387   1HD2  LEU  45          HD21      LEU  45 -34.497   3.134   4.115
  388   2HD2  LEU  45          HD22      LEU  45 -36.090   3.100   3.372
  389   3HD2  LEU  45          HD23      LEU  45 -35.877   3.828   4.957
  390    H    THR  46           HN       THR  46 -35.493   5.404  -0.354
  391    HA   THR  46           HA       THR  46 -38.259   5.305   0.289
  392    HB   THR  46           HB       THR  46 -36.878   6.083  -2.353
  393    HG1  THR  46           HG1      THR  46 -37.222   8.162  -1.295
  394   1HG2  THR  46          HG21      THR  46 -39.676   6.508  -1.190
  395   2HG2  THR  46          HG22      THR  46 -39.261   6.020  -2.830
  396   3HG2  THR  46          HG23      THR  46 -38.989   7.680  -2.310
  397    H    LYS  47           HN       LYS  47 -36.322   3.452  -1.986
  398    HA   LYS  47           HA       LYS  47 -38.512   2.248  -3.387
  399   1HB   LYS  47           HB1      LYS  47 -36.759   0.457  -3.919
  400   2HB   LYS  47           HB2      LYS  47 -35.660   1.300  -2.834
  401   1HG   LYS  47           HG1      LYS  47 -35.069   2.479  -4.696
  402   2HG   LYS  47           HG2      LYS  47 -36.562   3.366  -4.403
  403   1HD   LYS  47           HD1      LYS  47 -37.778   1.725  -5.844
  404   2HD   LYS  47           HD2      LYS  47 -36.247   0.930  -6.190
  405   1HE   LYS  47           HE1      LYS  47 -36.641   2.450  -8.009
  406   2HE   LYS  47           HE2      LYS  47 -35.394   3.188  -7.011
  407   1HZ   LYS  47           HZ1      LYS  47 -37.333   4.627  -7.765
  408   2HZ   LYS  47           HZ2      LYS  47 -36.881   4.708  -6.130
  409   3HZ   LYS  47           HZ3      LYS  47 -38.246   3.808  -6.590
  410    H    HIS  48           HN       HIS  48 -36.730   1.306  -0.475
  411    HA   HIS  48           HA       HIS  48 -38.036  -1.236  -0.171
  412   1HB   HIS  48           HB1      HIS  48 -36.700   0.640   1.844
  413   2HB   HIS  48           HB2      HIS  48 -35.979  -0.772   1.077
  414    HD1  HIS  48           HD1      HIS  48 -37.690  -2.970   1.623
  415    HD2  HIS  48           HD2      HIS  48 -37.517   0.028   4.398
  416    HE1  HIS  48           HE1      HIS  48 -38.496  -3.966   3.706
  417    H    MET  49           HN       MET  49 -38.899   2.030   0.703
  418    HA   MET  49           HA       MET  49 -41.068   1.208   2.475
  419   1HB   MET  49           HB1      MET  49 -41.703   3.718   2.131
  420   2HB   MET  49           HB2      MET  49 -40.225   3.835   1.183
  421   1HG   MET  49           HG1      MET  49 -39.635   4.459   3.397
  422   2HG   MET  49           HG2      MET  49 -38.990   2.860   3.140
  423   1HE   MET  49           HE1      MET  49 -38.782   1.855   5.859
  424   2HE   MET  49           HE2      MET  49 -39.439   3.176   6.824
  425   3HE   MET  49           HE3      MET  49 -38.460   3.527   5.400
  426    H    LYS  50           HN       LYS  50 -40.714   2.034  -0.910
  427    HA   LYS  50           HA       LYS  50 -43.450   2.442  -1.553
  428   1HB   LYS  50           HB1      LYS  50 -41.310   1.085  -3.267
  429   2HB   LYS  50           HB2      LYS  50 -41.479   2.829  -3.100
  430   1HG   LYS  50           HG1      LYS  50 -43.812   2.660  -3.970
  431   2HG   LYS  50           HG2      LYS  50 -43.580   0.930  -4.199
  432   1HD   LYS  50           HD1      LYS  50 -42.953   1.620  -6.305
  433   2HD   LYS  50           HD2      LYS  50 -41.398   1.822  -5.507
  434   1HE   LYS  50           HE1      LYS  50 -42.056   4.202  -4.988
  435   2HE   LYS  50           HE2      LYS  50 -43.495   3.966  -5.972
  436   1HZ   LYS  50           HZ1      LYS  50 -40.788   3.448  -7.032
  437   2HZ   LYS  50           HZ2      LYS  50 -41.487   4.995  -7.080
  438   3HZ   LYS  50           HZ3      LYS  50 -42.231   3.702  -7.891
  439    H    SER  51           HN       SER  51 -41.521  -0.549  -1.650
  440    HA   SER  51           HA       SER  51 -43.394  -2.350  -2.596
  441   1HB   SER  51           HB1      SER  51 -41.820  -3.056  -0.092
  442   2HB   SER  51           HB2      SER  51 -40.960  -2.735  -1.612
  443    HG   SER  51           HG1      SER  51 -42.505  -4.859  -0.910
  444    H    LYS  52           HN       LYS  52 -44.926  -3.748  -1.586
  445    HA   LYS  52           HA       LYS  52 -46.677  -2.355   0.234
  446   1HB   LYS  52           HB1      LYS  52 -47.779  -4.743   0.290
  447   2HB   LYS  52           HB2      LYS  52 -46.570  -5.165  -0.917
  448   1HG   LYS  52           HG1      LYS  52 -47.340  -3.243  -2.314
  449   2HG   LYS  52           HG2      LYS  52 -48.600  -2.918  -1.130
  450   1HD   LYS  52           HD1      LYS  52 -49.809  -4.289  -2.536
  451   2HD   LYS  52           HD2      LYS  52 -49.084  -5.535  -1.526
  452   1HE   LYS  52           HE1      LYS  52 -47.212  -5.738  -3.153
  453   2HE   LYS  52           HE2      LYS  52 -47.980  -4.528  -4.171
  454   1HZ   LYS  52           HZ1      LYS  52 -49.571  -6.843  -3.371
  455   2HZ   LYS  52           HZ2      LYS  52 -48.361  -7.080  -4.540
  456   3HZ   LYS  52           HZ3      LYS  52 -49.599  -5.951  -4.816
  457    H    ALA  53           HN       ALA  53 -43.806  -3.500   0.956
  458    HA   ALA  53           HA       ALA  53 -43.953  -5.354   3.016
  459   1HB   ALA  53           HB1      ALA  53 -41.810  -4.371   2.335
  460   2HB   ALA  53           HB2      ALA  53 -42.022  -4.038   4.051
  461   3HB   ALA  53           HB3      ALA  53 -42.321  -2.773   2.865
  462    H    HIS  54           HN       HIS  54 -43.331  -2.167   4.260
  463    HA   HIS  54           HA       HIS  54 -45.909  -2.114   5.685
  464   1HB   HIS  54           HB1      HIS  54 -44.803  -3.315   7.353
  465   2HB   HIS  54           HB2      HIS  54 -44.335  -1.688   7.828
  466    HD1  HIS  54           HD1      HIS  54 -42.897  -4.805   6.843
  467    HD2  HIS  54           HD2      HIS  54 -41.657  -0.911   6.717
  468    HE1  HIS  54           HE1      HIS  54 -40.463  -4.901   6.605
  469    H    SER  55           HN       SER  55 -46.247  -0.180   4.558
  470    HA   SER  55           HA       SER  55 -45.157   2.155   5.922
  471   1HB   SER  55           HB1      SER  55 -44.521   1.652   2.960
  472   2HB   SER  55           HB2      SER  55 -43.339   1.787   4.278
  473    HG   SER  55           HG1      SER  55 -45.245   3.802   4.046
  474    H    LYS  56           HN       LYS  56 -47.659   1.650   6.065
  475    HA   LYS  56           HA       LYS  56 -49.448   2.203   3.992
  476   1HB   LYS  56           HB1      LYS  56 -50.958   3.085   5.840
  477   2HB   LYS  56           HB2      LYS  56 -49.581   3.020   6.934
  478   1HG   LYS  56           HG1      LYS  56 -49.395   0.528   6.074
  479   2HG   LYS  56           HG2      LYS  56 -51.087   0.758   5.650
  480   1HD   LYS  56           HD1      LYS  56 -49.883   1.214   8.401
  481   2HD   LYS  56           HD2      LYS  56 -50.871  -0.166   7.935
  482   1HE   LYS  56           HE1      LYS  56 -52.633   1.613   7.222
  483   2HE   LYS  56           HE2      LYS  56 -51.692   2.726   8.206
  484   1HZ   LYS  56           HZ1      LYS  56 -53.152   1.940   9.737
  485   2HZ   LYS  56           HZ2      LYS  56 -51.903   0.807   9.941
  486   3HZ   LYS  56           HZ3      LYS  56 -53.273   0.403   9.022
  487    H    LYS  57           HN       LYS  57 -49.228   4.719   6.416
  488    HA   LYS  57           HA       LYS  57 -48.057   6.701   4.725
  489   1HB   LYS  57           HB1      LYS  57 -51.097   6.769   5.026
  490   2HB   LYS  57           HB2      LYS  57 -50.248   6.385   3.534
  491   1HG   LYS  57           HG1      LYS  57 -49.072   8.665   3.823
  492   2HG   LYS  57           HG2      LYS  57 -50.312   9.018   5.020
  493   1HD   LYS  57           HD1      LYS  57 -50.789   8.263   2.116
  494   2HD   LYS  57           HD2      LYS  57 -51.022   9.857   2.825
  495   1HE   LYS  57           HE1      LYS  57 -53.195   9.008   2.917
  496   2HE   LYS  57           HE2      LYS  57 -52.590   8.554   4.505
  497   1HZ   LYS  57           HZ1      LYS  57 -53.708   6.852   2.795
  498   2HZ   LYS  57           HZ2      LYS  57 -52.590   6.393   3.987
  499   3HZ   LYS  57                 LYS  57 -52.072   6.647   2.390
   
  Start of MODEL          35
 Raw file had 499 H/Q atoms
  Start of MODEL   35
    1   1H    LYS   1           HT1      LYS   1 -10.993  -6.650 -11.477
    2   2H    LYS   1           HT2      LYS   1 -11.896  -6.578 -10.041
    3   3H    LYS   1           HT3      LYS   1 -10.746  -5.375 -10.383
    4    HA   LYS   1           HA       LYS   1 -12.007  -4.519 -12.167
    5   1HB   LYS   1           HB1      LYS   1 -14.241  -6.476 -11.612
    6   2HB   LYS   1           HB2      LYS   1 -12.890  -7.020 -12.600
    7   1HG   LYS   1           HG1      LYS   1 -14.099  -4.355 -13.228
    8   2HG   LYS   1           HG2      LYS   1 -14.993  -5.796 -13.698
    9   1HD   LYS   1           HD1      LYS   1 -13.099  -6.625 -14.976
   10   2HD   LYS   1           HD2      LYS   1 -12.074  -5.325 -14.380
   11   1HE   LYS   1           HE1      LYS   1 -14.605  -4.855 -15.981
   12   2HE   LYS   1           HE2      LYS   1 -13.003  -4.940 -16.704
   13   1HZ   LYS   1           HZ1      LYS   1 -12.349  -3.133 -15.139
   14   2HZ   LYS   1           HZ2      LYS   1 -13.988  -2.972 -14.725
   15   3HZ   LYS   1           HZ3      LYS   1 -13.483  -2.680 -16.319
   16    OH   TYR   2           OH       TYR   2 -10.345   0.283 -10.554
   17    H    TYR   2           HN       TYR   2 -14.955  -4.617 -11.587
   18    HA   TYR   2           HA       TYR   2 -15.000  -3.524  -8.823
   19   1HB   TYR   2           HB1      TYR   2 -16.147  -1.465  -9.633
   20   2HB   TYR   2           HB2      TYR   2 -15.979  -2.020 -11.297
   21    HD1  TYR   2           HD2      TYR   2 -14.035  -1.031  -8.282
   22    HD2  TYR   2           HD1      TYR   2 -13.933  -1.693 -12.483
   23    HE1  TYR   2           HE2      TYR   2 -11.806  -0.011  -8.390
   24    HE2  TYR   2           HE1      TYR   2 -11.699  -0.689 -12.588
   25    HH   TYR   2           HH       TYR   2 -10.217   0.629 -11.440
   26    H    ILE   3           HN       ILE   3 -16.106  -5.908  -9.563
   27    HA   ILE   3           HA       ILE   3 -19.036  -5.318  -9.756
   28    HB   ILE   3           HB       ILE   3 -17.418  -7.824 -10.427
   29   1HG1  ILE   3          HG11      ILE   3 -17.811  -5.599 -11.953
   30   2HG1  ILE   3          HG12      ILE   3 -19.229  -6.541 -12.394
   31   1HG2  ILE   3          HG21      ILE   3 -20.424  -7.267 -10.348
   32   2HG2  ILE   3          HG22      ILE   3 -19.557  -8.569  -9.538
   33   3HG2  ILE   3          HG23      ILE   3 -19.746  -8.593 -11.288
   34   1HD1  ILE   3           HD1      ILE   3 -16.325  -7.386 -12.588
   35   2HD1  ILE   3           HD2      ILE   3 -17.477  -7.200 -13.907
   36   3HD1  ILE   3           HD3      ILE   3 -17.662  -8.519 -12.755
   37    H    CYS   4           HN       CYS   4 -19.787  -5.210  -7.676
   38    HA   CYS   4           HA       CYS   4 -18.648  -6.445  -5.440
   39   1HB   CYS   4           HB1      CYS   4 -21.524  -5.760  -6.064
   40   2HB   CYS   4           HB2      CYS   4 -20.408  -4.857  -5.080
   41    H    GLU   5           HN       GLU   5 -18.289  -8.466  -5.013
   42    HA   GLU   5           HA       GLU   5 -19.318 -10.638  -6.521
   43   1HB   GLU   5           HB1      GLU   5 -18.369 -12.011  -4.557
   44   2HB   GLU   5           HB2      GLU   5 -17.969 -10.474  -3.798
   45   1HG   GLU   5           HG1      GLU   5 -16.001 -10.733  -4.953
   46   2HG   GLU   5           HG2      GLU   5 -16.939 -10.061  -6.284
   47    H    GLU   6           HN       GLU   6 -20.718  -8.905  -3.923
   48    HA   GLU   6           HA       GLU   6 -22.450 -11.141  -3.164
   49   1HB   GLU   6           HB1      GLU   6 -22.706  -8.278  -2.192
   50   2HB   GLU   6           HB2      GLU   6 -21.456  -9.339  -1.556
   51   1HG   GLU   6           HG1      GLU   6 -23.215 -10.995  -0.936
   52   2HG   GLU   6           HG2      GLU   6 -24.446  -9.873  -1.509
   53    H    CYS   7           HN       CYS   7 -23.200  -7.745  -3.915
   54    HA   CYS   7           HA       CYS   7 -25.854  -8.481  -4.834
   55   1HB   CYS   7           HB1      CYS   7 -26.171  -6.154  -5.210
   56   2HB   CYS   7           HB2      CYS   7 -24.475  -5.871  -5.464
   57    H    GLY   8           HN       GLY   8 -22.905  -7.306  -6.414
   58   1HA   GLY   8           HA1      GLY   8 -23.924  -8.470  -8.969
   59   2HA   GLY   8           HA2      GLY   8 -22.223  -8.240  -8.581
   60    H    ILE   9           HN       ILE   9 -23.216  -5.533  -7.377
   61    HA   ILE   9           HA       ILE   9 -24.167  -3.951  -9.518
   62    HB   ILE   9           HB       ILE   9 -23.907  -3.385  -6.967
   63   1HG1  ILE   9          HG11      ILE   9 -24.807  -1.850  -8.724
   64   2HG1  ILE   9          HG12      ILE   9 -23.174  -1.279  -9.033
   65   1HG2  ILE   9          HG21      ILE   9 -21.848  -2.283  -6.333
   66   2HG2  ILE   9          HG22      ILE   9 -21.285  -2.180  -7.989
   67   3HG2  ILE   9          HG23      ILE   9 -21.327  -3.730  -7.161
   68   1HD1  ILE   9           HD1      ILE   9 -24.608   0.114  -7.399
   69   2HD1  ILE   9           HD2      ILE   9 -22.988  -0.314  -6.860
   70   3HD1  ILE   9           HD3      ILE   9 -24.381  -1.207  -6.259
   71    NH1  ARG  10           NH1      ARG  10 -22.635  -5.413 -17.246
   72    NH2  ARG  10           NH2      ARG  10 -22.214  -3.508 -18.436
   73    H    ARG  10           HN       ARG  10 -23.216  -3.218 -11.310
   74    HA   ARG  10           HA       ARG  10 -20.274  -3.643 -11.572
   75   1HB   ARG  10           HB1      ARG  10 -22.229  -3.007 -13.816
   76   2HB   ARG  10           HB2      ARG  10 -22.030  -4.650 -13.217
   77   1HG   ARG  10           HG1      ARG  10 -19.543  -4.413 -13.641
   78   2HG   ARG  10           HG2      ARG  10 -19.884  -2.876 -14.427
   79   1HD   ARG  10           HD1      ARG  10 -21.181  -5.496 -15.238
   80   2HD   ARG  10           HD2      ARG  10 -19.744  -4.837 -16.017
   81    HE   ARG  10           HE       ARG  10 -21.601  -2.759 -16.096
   82   1HH1  ARG  10          HH11      ARG  10 -22.546  -5.926 -16.393
   83   2HH1  ARG  10          HH12      ARG  10 -23.116  -5.817 -18.025
   84   1HH2  ARG  10          HH21      ARG  10 -21.811  -2.594 -18.475
   85   2HH2  ARG  10          HH22      ARG  10 -22.687  -3.880 -19.235
   86    H    ABA  11           HN       ABU  11 -19.273  -1.841 -10.892
   87    HA   ABA  11           HA       ABU  11 -20.199   0.773 -12.043
   88   1HB   ABA  11           HB1      ABU  11 -19.030   1.798 -10.101
   89   2HB   ABA  11           HB2      ABU  11 -18.550   0.215  -9.535
   90   1HG   ABA  11           HG1      ABU  11 -21.304   1.431  -9.614
   91   2HG   ABA  11           HG2      ABU  11 -20.490   0.636  -8.270
   92   3HG   ABA  11           HG3      ABU  11 -21.113  -0.319  -9.612
   93    H    LYS  12           HN       LYS  12 -19.006   1.235 -13.748
   94    HA   LYS  12           HA       LYS  12 -16.408   0.212 -14.260
   95   1HB   LYS  12           HB1      LYS  12 -16.409   1.788 -16.148
   96   2HB   LYS  12           HB2      LYS  12 -17.687   2.737 -15.397
   97   1HG   LYS  12           HG1      LYS  12 -19.203   0.767 -15.525
   98   2HG   LYS  12           HG2      LYS  12 -17.927  -0.150 -16.316
   99   1HD   LYS  12           HD1      LYS  12 -17.960   1.276 -18.235
  100   2HD   LYS  12           HD2      LYS  12 -18.925   2.492 -17.404
  101   1HE   LYS  12           HE1      LYS  12 -19.840  -0.310 -18.138
  102   2HE   LYS  12           HE2      LYS  12 -20.341   1.177 -18.933
  103   1HZ   LYS  12           HZ1      LYS  12 -22.028   1.031 -17.487
  104   2HZ   LYS  12           HZ2      LYS  12 -20.930   1.752 -16.410
  105   3HZ   LYS  12           HZ3      LYS  12 -21.164   0.070 -16.384
  106    H    LYS  13           HN       LYS  13 -17.037   2.109 -11.773
  107    HA   LYS  13           HA       LYS  13 -14.395   3.432 -11.988
  108   1HB   LYS  13           HB1      LYS  13 -15.599   5.440 -10.767
  109   2HB   LYS  13           HB2      LYS  13 -17.073   4.713 -11.402
  110   1HG   LYS  13           HG1      LYS  13 -16.168   4.841 -13.692
  111   2HG   LYS  13           HG2      LYS  13 -14.664   5.515 -13.074
  112   1HD   LYS  13           HD1      LYS  13 -15.569   7.590 -12.798
  113   2HD   LYS  13           HD2      LYS  13 -17.078   6.946 -12.163
  114   1HE   LYS  13           HE1      LYS  13 -17.161   8.137 -14.464
  115   2HE   LYS  13           HE2      LYS  13 -17.970   6.581 -14.326
  116   1HZ   LYS  13           HZ1      LYS  13 -16.078   7.250 -16.159
  117   2HZ   LYS  13           HZ2      LYS  13 -16.595   5.675 -15.788
  118   3HZ   LYS  13           HZ3      LYS  13 -15.216   6.315 -15.033
  119    HA   PRO  14           HA       PRO  14 -13.851   1.955  -7.837
  120   1HB   PRO  14           HB1      PRO  14 -11.679   2.697  -7.568
  121   2HB   PRO  14           HB2      PRO  14 -12.333   4.161  -6.834
  122   1HG   PRO  14           HG1      PRO  14 -10.919   4.031  -9.279
  123   2HG   PRO  14           HG2      PRO  14 -11.868   5.407  -8.714
  124   1HD   PRO  14           HD1      PRO  14 -13.287   5.028 -10.476
  125   2HD   PRO  14           HD2      PRO  14 -12.486   3.486 -10.834
  126    H    SER  15           HN       SER  15 -13.855   5.493  -7.460
  127    HA   SER  15           HA       SER  15 -15.026   5.884  -5.064
  128   1HB   SER  15           HB1      SER  15 -14.568   7.659  -6.893
  129   2HB   SER  15           HB2      SER  15 -16.049   7.946  -5.959
  130    HG   SER  15           HG1      SER  15 -17.148   7.598  -7.707
  131    H    MET  16           HN       MET  16 -16.857   4.953  -7.946
  132    HA   MET  16           HA       MET  16 -19.398   4.936  -6.583
  133   1HB   MET  16           HB1      MET  16 -19.945   3.366  -8.637
  134   2HB   MET  16           HB2      MET  16 -18.318   3.781  -9.170
  135   1HG   MET  16           HG1      MET  16 -18.864   6.163  -9.034
  136   2HG   MET  16           HG2      MET  16 -19.907   5.326 -10.152
  137   1HE   MET  16           HE1      MET  16 -22.298   5.618 -10.305
  138   2HE   MET  16           HE2      MET  16 -21.471   7.170 -10.437
  139   3HE   MET  16           HE3      MET  16 -22.974   7.047  -9.522
  140    H    LEU  17           HN       LEU  17 -17.081   2.356  -7.457
  141    HA   LEU  17           HA       LEU  17 -18.653   0.312  -6.136
  142   1HB   LEU  17           HB1      LEU  17 -15.666   0.141  -6.685
  143   2HB   LEU  17           HB2      LEU  17 -16.811   0.062  -8.003
  144    HG   LEU  17           HG       LEU  17 -16.115  -2.207  -7.170
  145   1HD1  LEU  17          HD11      LEU  17 -17.723  -1.619  -4.678
  146   2HD1  LEU  17          HD12      LEU  17 -15.977  -1.412  -4.739
  147   3HD1  LEU  17          HD13      LEU  17 -16.687  -2.996  -5.010
  148   1HD2  LEU  17          HD21      LEU  17 -19.041  -1.928  -6.494
  149   2HD2  LEU  17          HD22      LEU  17 -18.222  -3.187  -7.404
  150   3HD2  LEU  17          HD23      LEU  17 -18.488  -1.612  -8.127
  151    H    LYS  18           HN       LYS  18 -15.460   1.724  -5.391
  152    HA   LYS  18           HA       LYS  18 -14.891   0.719  -2.938
  153   1HB   LYS  18           HB1      LYS  18 -13.990   3.026  -2.319
  154   2HB   LYS  18           HB2      LYS  18 -14.803   3.667  -3.741
  155   1HG   LYS  18           HG1      LYS  18 -13.366   2.569  -5.224
  156   2HG   LYS  18           HG2      LYS  18 -12.979   1.302  -4.079
  157   1HD   LYS  18           HD1      LYS  18 -11.038   2.755  -4.333
  158   2HD   LYS  18           HD2      LYS  18 -11.697   2.965  -2.718
  159   1HE   LYS  18           HE1      LYS  18 -12.959   4.782  -4.624
  160   2HE   LYS  18           HE2      LYS  18 -11.214   4.994  -4.595
  161   1HZ   LYS  18           HZ1      LYS  18 -13.131   5.782  -2.678
  162   2HZ   LYS  18           HZ2      LYS  18 -11.471   6.137  -2.741
  163   3HZ   LYS  18           HZ3      LYS  18 -12.010   4.727  -1.961
  164    H    LYS  19           HN       LYS  19 -17.228   3.345  -3.462
  165    HA   LYS  19           HA       LYS  19 -17.910   3.525  -0.685
  166   1HB   LYS  19           HB1      LYS  19 -20.042   4.647  -1.713
  167   2HB   LYS  19           HB2      LYS  19 -19.260   4.400  -3.269
  168   1HG   LYS  19           HG1      LYS  19 -17.386   5.777  -2.641
  169   2HG   LYS  19           HG2      LYS  19 -17.908   5.832  -0.960
  170   1HD   LYS  19           HD1      LYS  19 -19.761   7.223  -1.456
  171   2HD   LYS  19           HD2      LYS  19 -19.694   6.847  -3.173
  172   1HE   LYS  19           HE1      LYS  19 -17.218   8.043  -2.090
  173   2HE   LYS  19           HE2      LYS  19 -18.618   9.106  -2.044
  174   1HZ   LYS  19           HZ1      LYS  19 -17.797   7.614  -4.465
  175   2HZ   LYS  19           HZ2      LYS  19 -17.279   9.194  -4.124
  176   3HZ   LYS  19           HZ3      LYS  19 -18.930   8.874  -4.355
  177    H    HIS  20           HN       HIS  20 -19.258   1.806  -3.448
  178    HA   HIS  20           HA       HIS  20 -21.583   0.792  -2.173
  179   1HB   HIS  20           HB1      HIS  20 -19.844  -0.465  -4.338
  180   2HB   HIS  20           HB2      HIS  20 -21.213   0.602  -4.628
  181    HD1  HIS  20           HD1      HIS  20 -23.342  -0.675  -4.858
  182    HD2  HIS  20           HD2      HIS  20 -20.551  -2.905  -2.917
  183    HE1  HIS  20           HE1      HIS  20 -24.385  -2.862  -4.503
  184    H    ILE  21           HN       ILE  21 -18.389  -0.757  -2.623
  185    HA   ILE  21           HA       ILE  21 -19.028  -3.091  -1.162
  186    HB   ILE  21           HB       ILE  21 -16.815  -2.336  -2.530
  187   1HG1  ILE  21          HG11      ILE  21 -16.867  -4.272  -0.182
  188   2HG1  ILE  21          HG12      ILE  21 -15.593  -4.226  -1.391
  189   1HG2  ILE  21          HG21      ILE  21 -14.972  -1.750  -1.092
  190   2HG2  ILE  21          HG22      ILE  21 -15.867  -2.155   0.367
  191   3HG2  ILE  21          HG23      ILE  21 -16.278  -0.720  -0.551
  192   1HD1  ILE  21           HD1      ILE  21 -18.240  -5.432  -1.562
  193   2HD1  ILE  21           HD2      ILE  21 -16.859  -5.635  -2.635
  194   3HD1  ILE  21           HD3      ILE  21 -17.979  -4.300  -2.883
  195    NH1  ARG  22           NH2      ARG  22 -16.803   5.457   3.028
  196    NH2  ARG  22           NH1      ARG  22 -14.837   5.147   4.150
  197    H    ARG  22           HN       ARG  22 -18.180   0.117  -0.076
  198    HA   ARG  22           HA       ARG  22 -17.740  -0.709   2.696
  199   1HB   ARG  22           HB1      ARG  22 -18.095   1.883   3.010
  200   2HB   ARG  22           HB2      ARG  22 -18.122   1.942   1.252
  201   1HG   ARG  22           HG1      ARG  22 -15.915   0.813   1.187
  202   2HG   ARG  22           HG2      ARG  22 -15.885   0.784   2.946
  203   1HD   ARG  22           HD1      ARG  22 -16.115   3.321   1.291
  204   2HD   ARG  22           HD2      ARG  22 -14.606   2.718   1.973
  205    HE   ARG  22           HE       ARG  22 -16.328   2.842   4.149
  206   1HH1  ARG  22          HH21      ARG  22 -17.592   5.061   2.555
  207   2HH1  ARG  22          HH22      ARG  22 -16.720   6.449   3.117
  208   1HH2  ARG  22          HH11      ARG  22 -14.152   4.519   4.519
  209   2HH2  ARG  22          HH12      ARG  22 -14.721   6.135   4.259
  210    H    THR  23           HN       THR  23 -20.485  -0.134   0.740
  211    HA   THR  23           HA       THR  23 -22.237   0.718   2.887
  212    HB   THR  23           HB       THR  23 -22.909  -0.617   0.191
  213    HG1  THR  23           HG1      THR  23 -22.216   1.916   1.127
  214   1HG2  THR  23          HG21      THR  23 -24.960   1.081   0.723
  215   2HG2  THR  23          HG22      THR  23 -24.515   0.727   2.389
  216   3HG2  THR  23          HG23      THR  23 -25.011  -0.576   1.314
  217    H    HIS  24           HN       HIS  24 -20.776  -2.242   2.197
  218    HA   HIS  24           HA       HIS  24 -23.010  -3.853   3.298
  219   1HB   HIS  24           HB1      HIS  24 -21.162  -5.711   3.060
  220   2HB   HIS  24           HB2      HIS  24 -20.240  -4.486   2.196
  221    HD1  HIS  24           HD1      HIS  24 -23.631  -6.083   1.923
  222    HD2  HIS  24           HD2      HIS  24 -20.858  -4.280  -0.463
  223    HE1  HIS  24           HE1      HIS  24 -24.467  -6.346  -0.386
  224    H    THR  25           HN       THR  25 -20.984  -1.824   4.697
  225    HA   THR  25           HA       THR  25 -20.107  -3.630   6.884
  226    HB   THR  25           HB       THR  25 -18.975  -1.397   7.645
  227    HG1  THR  25           HG1      THR  25 -19.039  -0.200   5.382
  228   1HG2  THR  25          HG21      THR  25 -18.326  -2.005   4.739
  229   2HG2  THR  25          HG22      THR  25 -17.927  -3.193   5.976
  230   3HG2  THR  25          HG23      THR  25 -17.202  -1.589   6.028
  231    H    ASP  26           HN       ASP  26 -20.723  -0.341   7.577
  232    HA   ASP  26           HA       ASP  26 -23.395  -0.787   8.661
  233   1HB   ASP  26           HB1      ASP  26 -22.728  -0.347  11.020
  234   2HB   ASP  26           HB2      ASP  26 -21.040  -0.220  10.532
  235    H    VAL  27           HN       VAL  27 -21.944   0.932   6.840
  236    HA   VAL  27           HA       VAL  27 -22.199   3.577   8.172
  237    HB   VAL  27           HB       VAL  27 -20.100   3.123   6.962
  238   1HG1  VAL  27          HG11      VAL  27 -20.117   2.648   4.541
  239   2HG1  VAL  27          HG12      VAL  27 -21.877   2.632   4.557
  240   3HG1  VAL  27          HG13      VAL  27 -20.978   1.403   5.434
  241   1HG2  VAL  27          HG21      VAL  27 -20.019   5.234   6.128
  242   2HG2  VAL  27          HG22      VAL  27 -21.724   5.344   6.553
  243   3HG2  VAL  27          HG23      VAL  27 -21.252   4.883   4.922
  244    NH1  ARG  28           NH1      ARG  28 -27.580  -2.377   3.670
  245    NH2  ARG  28           NH2      ARG  28 -27.272  -1.821   1.475
  246    H    ARG  28           HN       ARG  28 -24.573   2.328   7.744
  247    HA   ARG  28           HA       ARG  28 -25.761   3.782   5.414
  248   1HB   ARG  28           HB1      ARG  28 -27.575   1.961   5.677
  249   2HB   ARG  28           HB2      ARG  28 -26.458   1.155   6.771
  250   1HG   ARG  28           HG1      ARG  28 -24.733   1.258   4.915
  251   2HG   ARG  28           HG2      ARG  28 -26.018   1.794   3.847
  252   1HD   ARG  28           HD1      ARG  28 -27.099  -0.429   5.163
  253   2HD   ARG  28           HD2      ARG  28 -25.437  -0.894   4.807
  254    HE   ARG  28           HE       ARG  28 -26.432   0.271   2.451
  255   1HH1  ARG  28          HH11      ARG  28 -27.477  -2.140   4.636
  256   2HH1  ARG  28          HH12      ARG  28 -28.006  -3.243   3.410
  257   1HH2  ARG  28          HH21      ARG  28 -26.937  -1.166   0.796
  258   2HH2  ARG  28          HH22      ARG  28 -27.694  -2.677   1.179
  259    HA   PRO  29           HA       PRO  29 -27.483   5.614   9.314
  260   1HB   PRO  29           HB1      PRO  29 -26.763   7.783   9.157
  261   2HB   PRO  29           HB2      PRO  29 -27.894   8.081   7.838
  262   1HG   PRO  29           HG1      PRO  29 -25.007   7.717   7.681
  263   2HG   PRO  29           HG2      PRO  29 -26.123   8.143   6.383
  264   1HD   PRO  29           HD1      PRO  29 -26.070   6.021   5.563
  265   2HD   PRO  29           HD2      PRO  29 -24.800   5.639   6.741
  266    OH   TYR  30           OH       TYR  30 -29.118  10.712   3.133
  267    H    TYR  30           HN       TYR  30 -28.712   5.262   6.106
  268    HA   TYR  30           HA       TYR  30 -31.380   6.291   6.826
  269   1HB   TYR  30           HB1      TYR  30 -31.970   5.469   4.505
  270   2HB   TYR  30           HB2      TYR  30 -30.345   4.825   4.350
  271    HD1  TYR  30           HD1      TYR  30 -32.088   8.017   5.234
  272    HD2  TYR  30           HD2      TYR  30 -28.698   6.214   3.404
  273    HE1  TYR  30           HE1      TYR  30 -31.309  10.220   4.499
  274    HE2  TYR  30           HE2      TYR  30 -27.914   8.420   2.681
  275    HH   TYR  30           HH       TYR  30 -29.875  11.199   2.801
  276    H    HIS  31           HN       HIS  31 -31.930   4.899   8.567
  277    HA   HIS  31           HA       HIS  31 -32.202   2.008   7.949
  278   1HB   HIS  31           HB1      HIS  31 -32.651   1.763  10.346
  279   2HB   HIS  31           HB2      HIS  31 -32.889   3.498  10.526
  280    HD1  HIS  31           HD1      HIS  31 -30.208   1.050  10.052
  281    HD2  HIS  31           HD2      HIS  31 -30.548   5.047  10.658
  282    HE1  HIS  31           HE1      HIS  31 -27.954   1.798  10.551
  283    H    CYS  32           HN       CYS  32 -34.147   0.928   7.837
  284    HA   CYS  32           HA       CYS  32 -36.438   2.384   6.956
  285   1HB   CYS  32           HB1      CYS  32 -35.918  -0.445   7.892
  286   2HB   CYS  32           HB2      CYS  32 -36.309   0.106   6.286
  287    H    THR  33           HN       THR  33 -38.491   2.639   7.992
  288    HA   THR  33           HA       THR  33 -38.197   3.318  10.829
  289    HB   THR  33           HB       THR  33 -40.727   3.440   9.080
  290    HG1  THR  33           HG1      THR  33 -39.248   5.691   9.519
  291   1HG2  THR  33          HG21      THR  33 -41.069   5.503  10.605
  292   2HG2  THR  33          HG22      THR  33 -39.724   4.919  11.578
  293   3HG2  THR  33          HG23      THR  33 -41.200   3.969  11.455
  294    OH   TYR  34           OH       TYR  34 -44.786   2.610   8.859
  295    H    TYR  34           HN       TYR  34 -38.394   0.469   9.591
  296    HA   TYR  34           HA       TYR  34 -40.129  -0.571  11.765
  297   1HB   TYR  34           HB1      TYR  34 -41.203  -2.175  10.196
  298   2HB   TYR  34           HB2      TYR  34 -40.267  -1.523   8.858
  299    HD1  TYR  34           HD2      TYR  34 -40.663   0.883   8.150
  300    HD2  TYR  34           HD1      TYR  34 -43.208  -1.094  10.925
  301    HE1  TYR  34           HE2      TYR  34 -42.416   2.547   7.730
  302    HE2  TYR  34           HE1      TYR  34 -44.959   0.569  10.502
  303    HH   TYR  34           HH       TYR  34 -44.685   3.313   9.506
  304    H    CYS  35           HN       CYS  35 -38.358  -1.878   8.973
  305    HA   CYS  35           HA       CYS  35 -37.355  -4.155  10.386
  306   1HB   CYS  35           HB1      CYS  35 -35.876  -4.434   8.462
  307   2HB   CYS  35           HB2      CYS  35 -36.063  -2.766   8.014
  308    H    ASN  36           HN       ASN  36 -34.732  -4.306   9.851
  309    HA   ASN  36           HA       ASN  36 -33.513  -2.181  11.566
  310   1HB   ASN  36           HB1      ASN  36 -32.591  -5.086  11.342
  311   2HB   ASN  36           HB2      ASN  36 -33.753  -4.569  12.561
  312   1HD2  ASN  36          HD21      ASN  36 -31.735  -1.961  11.969
  313   2HD2  ASN  36          HD22      ASN  36 -30.602  -2.210  13.209
  314    H    PHE  37           HN       PHE  37 -33.766  -3.200   8.539
  315    HA   PHE  37           HA       PHE  37 -30.943  -3.295   7.778
  316   1HB   PHE  37           HB1      PHE  37 -33.182  -2.798   5.812
  317   2HB   PHE  37           HB2      PHE  37 -33.113  -4.363   6.620
  318    HD1  PHE  37           HD2      PHE  37 -30.923  -5.689   6.485
  319    HD2  PHE  37           HD1      PHE  37 -31.701  -2.301   4.026
  320    HE1  PHE  37           HE2      PHE  37 -29.149  -6.399   4.943
  321    HE2  PHE  37           HE1      PHE  37 -29.924  -3.014   2.487
  322    HZ   PHE  37           HZ       PHE  37 -28.647  -5.063   2.945
  323    H    SER  38           HN       SER  38 -30.194  -1.775   6.020
  324    HA   SER  38           HA       SER  38 -31.448   0.865   6.061
  325   1HB   SER  38           HB1      SER  38 -28.620   0.492   7.159
  326   2HB   SER  38           HB2      SER  38 -30.045   0.776   8.171
  327    HG   SER  38           HG1      SER  38 -29.409   2.790   7.723
  328    H    PHE  39           HN       PHE  39 -30.081   2.452   4.789
  329    HA   PHE  39           HA       PHE  39 -28.489   1.053   2.694
  330   1HB   PHE  39           HB1      PHE  39 -29.787   2.110   0.968
  331   2HB   PHE  39           HB2      PHE  39 -30.512   3.242   2.112
  332    HD1  PHE  39           HD2      PHE  39 -32.080   2.343   3.891
  333    HD2  PHE  39           HD1      PHE  39 -30.769  -0.058   0.624
  334    HE1  PHE  39           HE2      PHE  39 -33.858   0.720   4.369
  335    HE2  PHE  39           HE1      PHE  39 -32.557  -1.674   1.105
  336    HZ   PHE  39           HZ       PHE  39 -34.094  -1.291   2.985
  337    H    LYS  40           HN       LYS  40 -27.083   2.447   1.497
  338    HA   LYS  40           HA       LYS  40 -25.915   4.520   3.192
  339   1HB   LYS  40           HB1      LYS  40 -25.253   3.413   0.424
  340   2HB   LYS  40           HB2      LYS  40 -24.444   3.024   1.927
  341   1HG   LYS  40           HG1      LYS  40 -24.409   5.732   0.537
  342   2HG   LYS  40           HG2      LYS  40 -23.073   4.601   0.649
  343   1HD   LYS  40           HD1      LYS  40 -23.585   4.798   3.257
  344   2HD   LYS  40           HD2      LYS  40 -24.231   6.359   2.770
  345   1HE   LYS  40           HE1      LYS  40 -21.422   5.307   2.379
  346   2HE   LYS  40           HE2      LYS  40 -21.923   6.748   3.253
  347   1HZ   LYS  40           HZ1      LYS  40 -22.366   7.880   1.308
  348   2HZ   LYS  40           HZ2      LYS  40 -22.483   6.465   0.375
  349   3HZ   LYS  40           HZ3      LYS  40 -20.966   7.004   0.913
  350    H    THR  41           HN       THR  41 -28.241   4.428   0.697
  351    HA   THR  41           HA       THR  41 -27.995   7.398   0.377
  352    HB   THR  41           HB       THR  41 -28.602   7.170  -1.968
  353    HG1  THR  41           HG1      THR  41 -30.119   5.720  -2.182
  354   1HG2  THR  41          HG21      THR  41 -26.273   6.113  -1.340
  355   2HG2  THR  41          HG22      THR  41 -26.980   5.571  -2.859
  356   3HG2  THR  41          HG23      THR  41 -27.095   4.557  -1.423
  357    H    LYS  42           HN       LYS  42 -29.950   8.533  -0.014
  358    HA   LYS  42           HA       LYS  42 -32.123   7.552   1.614
  359   1HB   LYS  42           HB1      LYS  42 -32.241   9.963  -0.228
  360   2HB   LYS  42           HB2      LYS  42 -31.301  10.016   1.259
  361   1HG   LYS  42           HG1      LYS  42 -33.176   9.929   2.611
  362   2HG   LYS  42           HG2      LYS  42 -34.099   8.982   1.450
  363   1HD   LYS  42           HD1      LYS  42 -34.986  11.287   1.613
  364   2HD   LYS  42           HD2      LYS  42 -34.339  10.977   0.007
  365   1HE   LYS  42           HE1      LYS  42 -32.338  12.203   0.467
  366   2HE   LYS  42           HE2      LYS  42 -32.663  12.228   2.196
  367   1HZ   LYS  42           HZ1      LYS  42 -34.082  13.707   0.062
  368   2HZ   LYS  42           HZ2      LYS  42 -33.220  14.341   1.381
  369   3HZ   LYS  42           HZ3      LYS  42 -34.701  13.550   1.635
  370    H    GLY  43           HN       GLY  43 -31.299   7.338  -1.677
  371   1HA   GLY  43           HA1      GLY  43 -32.506   6.612  -3.562
  372   2HA   GLY  43           HA2      GLY  43 -33.963   7.227  -2.788
  373    H    ASN  44           HN       ASN  44 -31.635   4.553  -2.504
  374    HA   ASN  44           HA       ASN  44 -33.387   2.442  -2.833
  375   1HB   ASN  44           HB1      ASN  44 -31.788   1.251  -1.100
  376   2HB   ASN  44           HB2      ASN  44 -30.925   2.788  -1.086
  377   1HD2  ASN  44          HD21      ASN  44 -29.252   2.831  -2.565
  378   2HD2  ASN  44          HD22      ASN  44 -29.228   2.009  -4.050
  379    H    LEU  45           HN       LEU  45 -32.949   4.436   0.007
  380    HA   LEU  45           HA       LEU  45 -34.350   2.796   1.860
  381   1HB   LEU  45           HB1      LEU  45 -34.064   5.842   1.657
  382   2HB   LEU  45           HB2      LEU  45 -33.026   4.764   2.561
  383    HG   LEU  45           HG       LEU  45 -34.453   5.705   4.210
  384   1HD1  LEU  45          HD11      LEU  45 -36.227   6.254   2.175
  385   2HD1  LEU  45          HD12      LEU  45 -36.585   6.447   3.882
  386   3HD1  LEU  45          HD13      LEU  45 -37.080   4.990   3.038
  387   1HD2  LEU  45          HD21      LEU  45 -35.603   3.821   5.121
  388   2HD2  LEU  45          HD22      LEU  45 -34.265   3.156   4.192
  389   3HD2  LEU  45          HD23      LEU  45 -35.895   3.123   3.534
  390    H    THR  46           HN       THR  46 -35.503   5.511  -0.128
  391    HA   THR  46           HA       THR  46 -38.245   5.266   0.631
  392    HB   THR  46           HB       THR  46 -37.049   6.296  -2.016
  393    HG1  THR  46           HG1      THR  46 -36.454   7.066   0.260
  394   1HG2  THR  46          HG21      THR  46 -39.491   6.236  -2.225
  395   2HG2  THR  46          HG22      THR  46 -39.119   7.875  -1.700
  396   3HG2  THR  46          HG23      THR  46 -39.707   6.691  -0.537
  397    H    LYS  47           HN       LYS  47 -36.317   3.678  -1.834
  398    HA   LYS  47           HA       LYS  47 -38.489   2.527  -3.298
  399   1HB   LYS  47           HB1      LYS  47 -35.923   0.991  -2.965
  400   2HB   LYS  47           HB2      LYS  47 -35.801   2.603  -3.662
  401   1HG   LYS  47           HG1      LYS  47 -37.916   0.746  -4.706
  402   2HG   LYS  47           HG2      LYS  47 -36.250   0.497  -5.216
  403   1HD   LYS  47           HD1      LYS  47 -36.102   2.713  -6.128
  404   2HD   LYS  47           HD2      LYS  47 -37.611   3.200  -5.364
  405   1HE   LYS  47           HE1      LYS  47 -38.015   2.731  -7.734
  406   2HE   LYS  47           HE2      LYS  47 -38.821   1.514  -6.752
  407   1HZ   LYS  47           HZ1      LYS  47 -36.116   1.125  -7.887
  408   2HZ   LYS  47           HZ2      LYS  47 -37.534   0.662  -8.699
  409   3HZ   LYS  47           HZ3      LYS  47 -37.140  -0.046  -7.206
  410    H    HIS  48           HN       HIS  48 -36.836   1.560  -0.359
  411    HA   HIS  48           HA       HIS  48 -38.046  -1.090  -0.313
  412   1HB   HIS  48           HB1      HIS  48 -36.543   0.604   1.730
  413   2HB   HIS  48           HB2      HIS  48 -35.976  -0.843   0.904
  414    HD1  HIS  48           HD1      HIS  48 -37.525  -3.005   1.581
  415    HD2  HIS  48           HD2      HIS  48 -37.591   0.106   4.231
  416    HE1  HIS  48           HE1      HIS  48 -38.359  -3.954   3.677
  417    H    MET  49           HN       MET  49 -38.807   2.070   1.010
  418    HA   MET  49           HA       MET  49 -40.901   1.107   2.767
  419   1HB   MET  49           HB1      MET  49 -41.562   3.575   2.764
  420   2HB   MET  49           HB2      MET  49 -40.306   3.854   1.564
  421   1HG   MET  49           HG1      MET  49 -38.598   3.080   3.080
  422   2HG   MET  49           HG2      MET  49 -39.789   2.555   4.239
  423   1HE   MET  49           HE1      MET  49 -40.127   3.987   6.479
  424   2HE   MET  49           HE2      MET  49 -41.424   3.967   5.285
  425   3HE   MET  49           HE3      MET  49 -40.986   5.476   6.087
  426    H    LYS  50           HN       LYS  50 -40.746   2.168  -0.567
  427    HA   LYS  50           HA       LYS  50 -43.542   2.526  -1.002
  428   1HB   LYS  50           HB1      LYS  50 -41.755   1.345  -3.138
  429   2HB   LYS  50           HB2      LYS  50 -41.389   2.960  -2.539
  430   1HG   LYS  50           HG1      LYS  50 -43.732   3.651  -3.044
  431   2HG   LYS  50           HG2      LYS  50 -44.044   2.047  -3.701
  432   1HD   LYS  50           HD1      LYS  50 -43.439   3.126  -5.656
  433   2HD   LYS  50           HD2      LYS  50 -41.843   2.619  -5.118
  434   1HE   LYS  50           HE1      LYS  50 -41.810   5.004  -5.718
  435   2HE   LYS  50           HE2      LYS  50 -41.542   4.813  -3.990
  436   1HZ   LYS  50           HZ1      LYS  50 -43.505   6.307  -5.242
  437   2HZ   LYS  50           HZ2      LYS  50 -43.321   6.025  -3.577
  438   3HZ   LYS  50           HZ3      LYS  50 -44.305   5.001  -4.509
  439    H    SER  51           HN       SER  51 -41.474  -0.337  -1.260
  440    HA   SER  51           HA       SER  51 -43.184  -2.175  -2.426
  441   1HB   SER  51           HB1      SER  51 -41.298  -2.481  -0.035
  442   2HB   SER  51           HB2      SER  51 -41.003  -2.959  -1.719
  443    HG   SER  51           HG1      SER  51 -43.213  -4.117  -1.162
  444    H    LYS  52           HN       LYS  52 -44.671  -3.734  -1.566
  445    HA   LYS  52           HA       LYS  52 -46.602  -2.522   0.221
  446   1HB   LYS  52           HB1      LYS  52 -47.289  -4.054  -1.609
  447   2HB   LYS  52           HB2      LYS  52 -47.793  -4.724  -0.061
  448   1HG   LYS  52           HG1      LYS  52 -45.871  -6.220  -0.023
  449   2HG   LYS  52           HG2      LYS  52 -45.207  -5.465  -1.467
  450   1HD   LYS  52           HD1      LYS  52 -46.357  -7.572  -2.046
  451   2HD   LYS  52           HD2      LYS  52 -47.193  -6.197  -2.760
  452   1HE   LYS  52           HE1      LYS  52 -48.029  -7.121  -0.030
  453   2HE   LYS  52           HE2      LYS  52 -48.546  -8.055  -1.427
  454   1HZ   LYS  52           HZ1      LYS  52 -50.192  -6.591  -1.546
  455   2HZ   LYS  52           HZ2      LYS  52 -49.047  -5.510  -2.180
  456   3HZ   LYS  52           HZ3      LYS  52 -49.420  -5.477  -0.523
  457    H    ALA  53           HN       ALA  53 -43.725  -3.737   0.972
  458    HA   ALA  53           HA       ALA  53 -43.991  -5.708   2.912
  459   1HB   ALA  53           HB1      ALA  53 -42.300  -3.160   3.000
  460   2HB   ALA  53           HB2      ALA  53 -41.806  -4.718   2.347
  461   3HB   ALA  53           HB3      ALA  53 -42.060  -4.532   4.078
  462    H    HIS  54           HN       HIS  54 -43.460  -2.499   4.223
  463    HA   HIS  54           HA       HIS  54 -45.999  -2.667   5.732
  464   1HB   HIS  54           HB1      HIS  54 -44.703  -3.605   7.416
  465   2HB   HIS  54           HB2      HIS  54 -44.365  -1.911   7.754
  466    HD1  HIS  54           HD1      HIS  54 -42.772  -4.940   6.545
  467    HD2  HIS  54           HD2      HIS  54 -41.759  -0.987   6.796
  468    HE1  HIS  54           HE1      HIS  54 -40.349  -4.868   6.253
  469    H    SER  55           HN       SER  55 -46.608  -0.885   4.483
  470    HA   SER  55           HA       SER  55 -45.676   1.664   5.631
  471   1HB   SER  55           HB1      SER  55 -44.198   1.723   3.758
  472   2HB   SER  55           HB2      SER  55 -45.641   2.473   3.046
  473    HG   SER  55           HG1      SER  55 -44.692  -0.164   2.832
  474    H    LYS  56           HN       LYS  56 -47.861  -0.097   3.522
  475    HA   LYS  56           HA       LYS  56 -50.005   1.843   4.257
  476   1HB   LYS  56           HB1      LYS  56 -50.863   1.414   1.824
  477   2HB   LYS  56           HB2      LYS  56 -49.245   0.808   1.493
  478   1HG   LYS  56           HG1      LYS  56 -48.554   3.107   2.681
  479   2HG   LYS  56           HG2      LYS  56 -50.141   3.595   2.104
  480   1HD   LYS  56           HD1      LYS  56 -49.384   2.558  -0.165
  481   2HD   LYS  56           HD2      LYS  56 -47.759   2.671   0.500
  482   1HE   LYS  56           HE1      LYS  56 -49.671   4.869  -0.216
  483   2HE   LYS  56           HE2      LYS  56 -47.945   4.752  -0.532
  484   1HZ   LYS  56           HZ1      LYS  56 -48.749   6.361   1.257
  485   2HZ   LYS  56           HZ2      LYS  56 -47.422   5.365   1.618
  486   3HZ   LYS  56           HZ3      LYS  56 -48.961   4.982   2.224
  487    H    LYS  57           HN       LYS  57 -49.552  -0.597   5.503
  488    HA   LYS  57           HA       LYS  57 -50.884  -2.830   4.453
  489   1HB   LYS  57           HB1      LYS  57 -49.632  -2.987   6.548
  490   2HB   LYS  57           HB2      LYS  57 -51.304  -3.402   6.909
  491   1HG   LYS  57           HG1      LYS  57 -51.694  -1.024   7.605
  492   2HG   LYS  57           HG2      LYS  57 -49.982  -0.703   7.353
  493   1HD   LYS  57           HD1      LYS  57 -49.343  -2.224   9.090
  494   2HD   LYS  57           HD2      LYS  57 -50.960  -2.915   9.177
  495   1HE   LYS  57           HE1      LYS  57 -51.856  -0.792  10.017
  496   2HE   LYS  57           HE2      LYS  57 -50.280  -0.032   9.845
  497   1HZ   LYS  57           HZ1      LYS  57 -50.920  -0.849  12.130
  498   2HZ   LYS  57           HZ2      LYS  57 -49.392  -1.319  11.555
  499   3HZ   LYS  57                 LYS  57 -50.683  -2.422  11.534
   
  Start of MODEL          36
 Raw file had 499 H/Q atoms
  Start of MODEL   36
    1   1H    LYS   1           HT1      LYS   1  -9.415  -6.979  -9.822
    2   2H    LYS   1           HT2      LYS   1 -11.054  -6.550  -9.701
    3   3H    LYS   1           HT3      LYS   1 -10.098  -6.655  -8.301
    4    HA   LYS   1           HA       LYS   1  -8.697  -4.836  -9.158
    5   1HB   LYS   1           HB1      LYS   1  -9.054  -4.054 -11.279
    6   2HB   LYS   1           HB2      LYS   1 -10.760  -3.787 -10.941
    7   1HG   LYS   1           HG1      LYS   1 -11.266  -6.129 -11.439
    8   2HG   LYS   1           HG2      LYS   1  -9.555  -6.483 -11.656
    9   1HD   LYS   1           HD1      LYS   1  -9.428  -5.073 -13.605
   10   2HD   LYS   1           HD2      LYS   1 -11.031  -4.410 -13.304
   11   1HE   LYS   1           HE1      LYS   1 -10.954  -6.205 -15.095
   12   2HE   LYS   1           HE2      LYS   1 -12.081  -6.530 -13.783
   13   1HZ   LYS   1           HZ1      LYS   1  -9.418  -7.723 -14.240
   14   2HZ   LYS   1           HZ2      LYS   1 -10.920  -8.506 -14.107
   15   3HZ   LYS   1           HZ3      LYS   1 -10.197  -7.815 -12.734
   16    OH   TYR   2           OH       TYR   2  -7.419   0.199  -7.792
   17    H    TYR   2           HN       TYR   2 -12.227  -4.540  -9.606
   18    HA   TYR   2           HA       TYR   2 -12.493  -3.345  -6.941
   19   1HB   TYR   2           HB1      TYR   2 -13.386  -1.185  -7.832
   20   2HB   TYR   2           HB2      TYR   2 -12.997  -1.706  -9.471
   21    HD1  TYR   2           HD2      TYR   2 -11.497  -0.913  -6.165
   22    HD2  TYR   2           HD1      TYR   2 -10.768  -1.515 -10.310
   23    HE1  TYR   2           HE2      TYR   2  -9.220  -0.038  -5.892
   24    HE2  TYR   2           HE1      TYR   2  -8.490  -0.651 -10.036
   25    HH   TYR   2           HH       TYR   2  -7.369   1.046  -8.241
   26    H    ILE   3           HN       ILE   3 -13.658  -5.607  -7.937
   27    HA   ILE   3           HA       ILE   3 -16.488  -4.780  -8.443
   28    HB   ILE   3           HB       ILE   3 -14.853  -7.213  -9.245
   29   1HG1  ILE   3          HG11      ILE   3 -15.315  -4.970 -10.613
   30   2HG1  ILE   3          HG12      ILE   3 -16.831  -5.784 -10.986
   31   1HG2  ILE   3          HG21      ILE   3 -17.851  -6.913  -8.865
   32   2HG2  ILE   3          HG22      ILE   3 -16.830  -8.291  -8.469
   33   3HG2  ILE   3          HG23      ILE   3 -17.246  -7.957 -10.146
   34   1HD1  ILE   3           HD1      ILE   3 -15.206  -6.380 -12.698
   35   2HD1  ILE   3           HD2      ILE   3 -15.494  -7.800 -11.698
   36   3HD1  ILE   3           HD3      ILE   3 -14.029  -6.849 -11.475
   37    H    CYS   4           HN       CYS   4 -17.448  -4.752  -6.431
   38    HA   CYS   4           HA       CYS   4 -16.658  -6.284  -4.220
   39   1HB   CYS   4           HB1      CYS   4 -19.431  -5.332  -4.995
   40   2HB   CYS   4           HB2      CYS   4 -18.305  -4.511  -3.952
   41    H    GLU   5           HN       GLU   5 -16.352  -8.369  -4.233
   42    HA   GLU   5           HA       GLU   5 -17.587 -10.243  -5.935
   43   1HB   GLU   5           HB1      GLU   5 -16.701 -11.946  -4.343
   44   2HB   GLU   5           HB2      GLU   5 -16.452 -10.691  -3.135
   45   1HG   GLU   5           HG1      GLU   5 -14.336 -11.153  -4.294
   46   2HG   GLU   5           HG2      GLU   5 -14.890  -9.531  -4.702
   47    H    GLU   6           HN       GLU   6 -18.827  -8.721  -3.115
   48    HA   GLU   6           HA       GLU   6 -20.760 -10.817  -2.562
   49   1HB   GLU   6           HB1      GLU   6 -21.022  -8.005  -1.513
   50   2HB   GLU   6           HB2      GLU   6 -19.660  -8.972  -0.967
   51   1HG   GLU   6           HG1      GLU   6 -21.585  -9.246   0.561
   52   2HG   GLU   6           HG2      GLU   6 -21.221 -10.764  -0.255
   53    H    CYS   7           HN       CYS   7 -21.189  -7.367  -3.358
   54    HA   CYS   7           HA       CYS   7 -23.866  -7.930  -4.407
   55   1HB   CYS   7           HB1      CYS   7 -24.018  -5.553  -4.722
   56   2HB   CYS   7           HB2      CYS   7 -22.290  -5.364  -4.740
   57    H    GLY   8           HN       GLY   8 -20.882  -6.556  -5.746
   58   1HA   GLY   8           HA1      GLY   8 -21.726  -7.564  -8.437
   59   2HA   GLY   8           HA2      GLY   8 -20.049  -7.533  -7.900
   60    H    ILE   9           HN       ILE   9 -20.932  -4.862  -6.538
   61    HA   ILE   9           HA       ILE   9 -21.546  -3.004  -8.573
   62    HB   ILE   9           HB       ILE   9 -21.440  -2.715  -5.967
   63   1HG1  ILE   9          HG11      ILE   9 -20.761  -0.732  -8.095
   64   2HG1  ILE   9          HG12      ILE   9 -20.586  -0.220  -6.420
   65   1HG2  ILE   9          HG21      ILE   9 -18.638  -1.704  -6.659
   66   2HG2  ILE   9          HG22      ILE   9 -18.901  -3.321  -6.015
   67   3HG2  ILE   9          HG23      ILE   9 -19.344  -1.918  -5.071
   68   1HD1  ILE   9           HD1      ILE   9 -23.089  -1.512  -7.555
   69   2HD1  ILE   9           HD2      ILE   9 -22.879   0.223  -7.347
   70   3HD1  ILE   9           HD3      ILE   9 -22.899  -0.836  -5.941
   71    NH1  ARG  10           NH2      ARG  10 -20.249  -3.662 -15.170
   72    NH2  ARG  10           NH1      ARG  10 -20.223  -1.378 -15.107
   73    H    ARG  10           HN       ARG  10 -20.377  -2.158 -10.190
   74    HA   ARG  10           HA       ARG  10 -17.472  -2.852 -10.276
   75   1HB   ARG  10           HB1      ARG  10 -19.155  -1.852 -12.603
   76   2HB   ARG  10           HB2      ARG  10 -19.182  -3.545 -12.133
   77   1HG   ARG  10           HG1      ARG  10 -16.633  -3.520 -12.319
   78   2HG   ARG  10           HG2      ARG  10 -16.786  -1.927 -13.054
   79   1HD   ARG  10           HD1      ARG  10 -18.221  -4.392 -14.089
   80   2HD   ARG  10           HD2      ARG  10 -16.674  -3.831 -14.716
   81    HE   ARG  10           HE       ARG  10 -17.789  -1.912 -15.654
   82   1HH1  ARG  10          HH21      ARG  10 -19.744  -4.524 -15.186
   83   2HH1  ARG  10          HH22      ARG  10 -21.250  -3.669 -15.187
   84   1HH2  ARG  10          HH11      ARG  10 -19.698  -0.528 -15.076
   85   2HH2  ARG  10          HH12      ARG  10 -21.223  -1.347 -15.123
   86    H    ABA  11           HN       ABU  11 -16.265  -1.244  -9.530
   87    HA   ABA  11           HA       ABU  11 -16.825   1.513 -10.569
   88   1HB   ABA  11           HB1      ABU  11 -16.119   2.399  -8.383
   89   2HB   ABA  11           HB2      ABU  11 -15.745   0.787  -7.810
   90   1HG   ABA  11           HG1      ABU  11 -18.506   1.748  -8.627
   91   2HG   ABA  11           HG2      ABU  11 -17.952   1.549  -6.966
   92   3HG   ABA  11           HG3      ABU  11 -18.118   0.143  -8.014
   93    H    LYS  12           HN       LYS  12 -15.215   1.942 -11.937
   94    HA   LYS  12           HA       LYS  12 -12.642   0.680 -11.774
   95   1HB   LYS  12           HB1      LYS  12 -12.064   2.240 -13.638
   96   2HB   LYS  12           HB2      LYS  12 -13.555   3.127 -13.349
   97   1HG   LYS  12           HG1      LYS  12 -14.232   0.360 -13.560
   98   2HG   LYS  12           HG2      LYS  12 -13.172   0.743 -14.910
   99   1HD   LYS  12           HD1      LYS  12 -15.608   2.393 -14.152
  100   2HD   LYS  12           HD2      LYS  12 -15.612   1.148 -15.394
  101   1HE   LYS  12           HE1      LYS  12 -13.375   2.990 -15.737
  102   2HE   LYS  12           HE2      LYS  12 -14.917   3.834 -15.757
  103   1HZ   LYS  12           HZ1      LYS  12 -15.167   3.144 -17.822
  104   2HZ   LYS  12           HZ2      LYS  12 -15.264   1.544 -17.261
  105   3HZ   LYS  12           HZ3      LYS  12 -13.767   2.188 -17.737
  106    H    LYS  13           HN       LYS  13 -13.781   2.769  -9.659
  107    HA   LYS  13           HA       LYS  13 -11.170   4.186  -9.390
  108   1HB   LYS  13           HB1      LYS  13 -12.683   5.925  -8.111
  109   2HB   LYS  13           HB2      LYS  13 -14.007   5.142  -8.965
  110   1HG   LYS  13           HG1      LYS  13 -12.863   5.582 -11.124
  111   2HG   LYS  13           HG2      LYS  13 -11.558   6.386 -10.261
  112   1HD   LYS  13           HD1      LYS  13 -13.400   7.891  -9.245
  113   2HD   LYS  13           HD2      LYS  13 -14.446   7.252 -10.507
  114   1HE   LYS  13           HE1      LYS  13 -11.771   8.602 -11.003
  115   2HE   LYS  13           HE2      LYS  13 -13.336   9.387 -11.180
  116   1HZ   LYS  13           HZ1      LYS  13 -13.212   6.911 -12.589
  117   2HZ   LYS  13           HZ2      LYS  13 -12.005   7.991 -13.100
  118   3HZ   LYS  13           HZ3      LYS  13 -13.637   8.458 -13.149
  119    HA   PRO  14           HA       PRO  14 -11.040   2.060  -5.446
  120   1HB   PRO  14           HB1      PRO  14  -8.834   2.476  -4.924
  121   2HB   PRO  14           HB2      PRO  14  -9.330   4.000  -4.188
  122   1HG   PRO  14           HG1      PRO  14  -7.785   3.691  -6.565
  123   2HG   PRO  14           HG2      PRO  14  -8.471   5.195  -5.949
  124   1HD   PRO  14           HD1      PRO  14  -9.879   5.216  -7.750
  125   2HD   PRO  14           HD2      PRO  14  -9.323   3.601  -8.235
  126    H    SER  15           HN       SER  15 -10.942   5.617  -5.102
  127    HA   SER  15           HA       SER  15 -12.149   5.868  -2.618
  128   1HB   SER  15           HB1      SER  15 -11.393   7.786  -4.140
  129   2HB   SER  15           HB2      SER  15 -12.994   8.079  -3.434
  130    HG   SER  15           HG1      SER  15 -12.960   6.548  -5.731
  131    H    MET  16           HN       MET  16 -13.693   5.039  -5.669
  132    HA   MET  16           HA       MET  16 -16.386   5.274  -4.586
  133   1HB   MET  16           HB1      MET  16 -16.872   3.860  -6.744
  134   2HB   MET  16           HB2      MET  16 -15.167   4.107  -7.111
  135   1HG   MET  16           HG1      MET  16 -16.508   5.845  -8.165
  136   2HG   MET  16           HG2      MET  16 -15.464   6.527  -6.947
  137   1HE   MET  16           HE1      MET  16 -16.868   8.167  -8.097
  138   2HE   MET  16           HE2      MET  16 -17.354   9.107  -6.686
  139   3HE   MET  16           HE3      MET  16 -18.574   8.497  -7.803
  140    H    LEU  17           HN       LEU  17 -14.536   2.415  -5.726
  141    HA   LEU  17           HA       LEU  17 -16.285   0.509  -4.571
  142   1HB   LEU  17           HB1      LEU  17 -13.268   0.143  -4.691
  143   2HB   LEU  17           HB2      LEU  17 -14.195   0.229  -6.170
  144    HG   LEU  17           HG       LEU  17 -13.828  -2.127  -5.425
  145   1HD1  LEU  17          HD11      LEU  17 -15.679  -1.554  -3.107
  146   2HD1  LEU  17          HD12      LEU  17 -13.934  -1.448  -2.944
  147   3HD1  LEU  17          HD13      LEU  17 -14.686  -2.973  -3.393
  148   1HD2  LEU  17          HD21      LEU  17 -16.778  -1.714  -5.051
  149   2HD2  LEU  17          HD22      LEU  17 -15.923  -2.849  -6.083
  150   3HD2  LEU  17          HD23      LEU  17 -16.054  -1.161  -6.551
  151    H    LYS  18           HN       LYS  18 -13.247   1.838  -3.365
  152    HA   LYS  18           HA       LYS  18 -12.988   0.719  -0.898
  153   1HB   LYS  18           HB1      LYS  18 -12.781   3.696  -1.573
  154   2HB   LYS  18           HB2      LYS  18 -11.491   2.512  -1.737
  155   1HG   LYS  18           HG1      LYS  18 -12.359   2.239   0.915
  156   2HG   LYS  18           HG2      LYS  18 -12.354   3.974   0.628
  157   1HD   LYS  18           HD1      LYS  18 -10.034   3.800  -0.251
  158   2HD   LYS  18           HD2      LYS  18 -10.046   2.075   0.096
  159   1HE   LYS  18           HE1      LYS  18  -9.543   2.455   2.260
  160   2HE   LYS  18           HE2      LYS  18 -10.913   3.546   2.428
  161   1HZ   LYS  18           HZ1      LYS  18  -9.563   5.274   2.394
  162   2HZ   LYS  18           HZ2      LYS  18  -8.847   4.774   0.937
  163   3HZ   LYS  18           HZ3      LYS  18  -8.240   4.210   2.419
  164    H    LYS  19           HN       LYS  19 -15.010   3.608  -1.498
  165    HA   LYS  19           HA       LYS  19 -16.125   3.639   1.115
  166   1HB   LYS  19           HB1      LYS  19 -18.062   4.654  -0.728
  167   2HB   LYS  19           HB2      LYS  19 -16.485   5.052  -1.394
  168   1HG   LYS  19           HG1      LYS  19 -15.828   6.019   0.811
  169   2HG   LYS  19           HG2      LYS  19 -17.444   5.679   1.417
  170   1HD   LYS  19           HD1      LYS  19 -18.147   7.017  -0.793
  171   2HD   LYS  19           HD2      LYS  19 -16.555   7.730  -0.573
  172   1HE   LYS  19           HE1      LYS  19 -17.145   8.335   1.754
  173   2HE   LYS  19           HE2      LYS  19 -18.739   7.622   1.536
  174   1HZ   LYS  19           HZ1      LYS  19 -18.780   9.247  -0.495
  175   2HZ   LYS  19           HZ2      LYS  19 -17.644  10.099   0.435
  176   3HZ   LYS  19           HZ3      LYS  19 -19.188   9.780   1.065
  177    H    HIS  20           HN       HIS  20 -17.123   2.030  -1.861
  178    HA   HIS  20           HA       HIS  20 -19.685   1.185  -0.934
  179   1HB   HIS  20           HB1      HIS  20 -17.782  -0.107  -2.931
  180   2HB   HIS  20           HB2      HIS  20 -19.090   1.002  -3.321
  181    HD1  HIS  20           HD1      HIS  20 -21.239  -0.201  -3.758
  182    HD2  HIS  20           HD2      HIS  20 -18.667  -2.581  -1.693
  183    HE1  HIS  20           HE1      HIS  20 -22.362  -2.371  -3.577
  184    H    ILE  21           HN       ILE  21 -16.531  -0.512  -0.890
  185    HA   ILE  21           HA       ILE  21 -17.497  -2.880   0.295
  186    HB   ILE  21           HB       ILE  21 -15.023  -2.131  -0.538
  187   1HG1  ILE  21          HG11      ILE  21 -15.635  -4.191   1.618
  188   2HG1  ILE  21          HG12      ILE  21 -14.131  -4.133   0.712
  189   1HG2  ILE  21          HG21      ILE  21 -13.510  -1.715   1.296
  190   2HG2  ILE  21          HG22      ILE  21 -14.707  -2.169   2.501
  191   3HG2  ILE  21          HG23      ILE  21 -14.864  -0.661   1.626
  192   1HD1  ILE  21           HD1      ILE  21 -16.157  -4.024  -1.246
  193   2HD1  ILE  21           HD2      ILE  21 -16.706  -5.228  -0.085
  194   3HD1  ILE  21           HD3      ILE  21 -15.138  -5.406  -0.866
  195    NH1  ARG  22           NH2      ARG  22 -13.400   5.079   4.253
  196    NH2  ARG  22           NH1      ARG  22 -11.675   4.013   5.305
  197    H    ARG  22           HN       ARG  22 -16.801   0.245   1.703
  198    HA   ARG  22           HA       ARG  22 -16.897  -0.719   4.444
  199   1HB   ARG  22           HB1      ARG  22 -17.409   1.826   4.848
  200   2HB   ARG  22           HB2      ARG  22 -17.145   2.008   3.122
  201   1HG   ARG  22           HG1      ARG  22 -14.902   1.039   3.330
  202   2HG   ARG  22           HG2      ARG  22 -15.163   0.758   5.048
  203   1HD   ARG  22           HD1      ARG  22 -15.330   3.147   5.474
  204   2HD   ARG  22           HD2      ARG  22 -15.285   3.500   3.747
  205    HE   ARG  22           HE       ARG  22 -12.939   2.023   4.482
  206   1HH1  ARG  22          HH21      ARG  22 -14.291   5.026   3.801
  207   2HH1  ARG  22          HH22      ARG  22 -12.943   5.962   4.354
  208   1HH2  ARG  22          HH11      ARG  22 -11.272   3.162   5.643
  209   2HH2  ARG  22          HH12      ARG  22 -11.188   4.879   5.425
  210    H    THR  23           HN       THR  23 -19.260   0.532   2.161
  211    HA   THR  23           HA       THR  23 -21.417   1.035   3.845
  212    HB   THR  23           HB       THR  23 -21.569  -0.487   1.163
  213    HG1  THR  23           HG1      THR  23 -20.300   1.380   1.057
  214   1HG2  THR  23          HG21      THR  23 -23.499   1.126   2.873
  215   2HG2  THR  23          HG22      THR  23 -23.851  -0.247   1.832
  216   3HG2  THR  23          HG23      THR  23 -23.586   1.344   1.128
  217    H    HIS  24           HN       HIS  24 -19.880  -1.984   3.176
  218    HA   HIS  24           HA       HIS  24 -22.152  -3.607   4.074
  219   1HB   HIS  24           HB1      HIS  24 -20.231  -5.400   4.190
  220   2HB   HIS  24           HB2      HIS  24 -19.211  -4.153   3.478
  221    HD1  HIS  24           HD1      HIS  24 -22.343  -6.026   2.653
  222    HD2  HIS  24           HD2      HIS  24 -19.516  -3.791   0.755
  223    HE1  HIS  24           HE1      HIS  24 -22.821  -6.255   0.244
  224    H    THR  25           HN       THR  25 -20.706  -1.433   5.745
  225    HA   THR  25           HA       THR  25 -20.060  -3.089   8.132
  226    HB   THR  25           HB       THR  25 -19.131  -0.840   8.965
  227    HG1  THR  25           HG1      THR  25 -20.467  -0.202   6.654
  228   1HG2  THR  25          HG21      THR  25 -18.239  -2.189   6.431
  229   2HG2  THR  25          HG22      THR  25 -17.292  -1.843   7.874
  230   3HG2  THR  25          HG23      THR  25 -17.602  -0.569   6.699
  231    H    ASP  26           HN       ASP  26 -20.808   0.107   8.763
  232    HA   ASP  26           HA       ASP  26 -23.659  -0.380   9.295
  233   1HB   ASP  26           HB1      ASP  26 -23.327   0.353  11.720
  234   2HB   ASP  26           HB2      ASP  26 -21.589   0.226  11.463
  235    H    VAL  27           HN       VAL  27 -21.994   1.307   7.648
  236    HA   VAL  27           HA       VAL  27 -22.463   4.006   8.779
  237    HB   VAL  27           HB       VAL  27 -20.252   3.530   7.783
  238   1HG1  VAL  27          HG11      VAL  27 -21.035   1.732   6.246
  239   2HG1  VAL  27          HG12      VAL  27 -20.016   2.904   5.429
  240   3HG1  VAL  27          HG13      VAL  27 -21.762   2.949   5.218
  241   1HG2  VAL  27          HG21      VAL  27 -21.218   5.188   5.572
  242   2HG2  VAL  27          HG22      VAL  27 -20.140   5.615   6.896
  243   3HG2  VAL  27          HG23      VAL  27 -21.884   5.695   7.122
  244    NH1  ARG  28           NH1      ARG  28 -26.693  -1.629   3.036
  245    NH2  ARG  28           NH2      ARG  28 -24.826  -2.857   3.508
  246    H    ARG  28           HN       ARG  28 -24.755   2.668   8.190
  247    HA   ARG  28           HA       ARG  28 -25.761   3.994   5.709
  248   1HB   ARG  28           HB1      ARG  28 -27.548   2.124   5.907
  249   2HB   ARG  28           HB2      ARG  28 -26.480   1.394   7.098
  250   1HG   ARG  28           HG1      ARG  28 -24.688   1.853   5.134
  251   2HG   ARG  28           HG2      ARG  28 -26.134   1.647   4.155
  252   1HD   ARG  28           HD1      ARG  28 -26.590  -0.494   5.425
  253   2HD   ARG  28           HD2      ARG  28 -25.009  -0.312   6.181
  254    HE   ARG  28           HE       ARG  28 -24.127  -0.315   3.746
  255   1HH1  ARG  28          HH11      ARG  28 -27.178  -0.756   3.080
  256   2HH1  ARG  28          HH12      ARG  28 -27.126  -2.419   2.601
  257   1HH2  ARG  28          HH21      ARG  28 -23.909  -2.903   3.906
  258   2HH2  ARG  28          HH22      ARG  28 -25.226  -3.668   3.081
  259    HA   PRO  29           HA       PRO  29 -27.789   5.953   9.424
  260   1HB   PRO  29           HB1      PRO  29 -27.309   8.180   9.141
  261   2HB   PRO  29           HB2      PRO  29 -28.249   8.244   7.649
  262   1HG   PRO  29           HG1      PRO  29 -25.339   8.054   7.967
  263   2HG   PRO  29           HG2      PRO  29 -26.265   8.364   6.497
  264   1HD   PRO  29           HD1      PRO  29 -26.024   6.208   5.822
  265   2HD   PRO  29           HD2      PRO  29 -24.923   5.943   7.185
  266    OH   TYR  30           OH       TYR  30 -28.986  10.571   2.966
  267    H    TYR  30           HN       TYR  30 -28.793   5.534   6.103
  268    HA   TYR  30           HA       TYR  30 -31.573   6.262   6.659
  269   1HB   TYR  30           HB1      TYR  30 -31.964   5.393   4.342
  270   2HB   TYR  30           HB2      TYR  30 -30.336   4.737   4.309
  271    HD1  TYR  30           HD1      TYR  30 -32.034   7.987   5.091
  272    HD2  TYR  30           HD2      TYR  30 -28.702   6.065   3.272
  273    HE1  TYR  30           HE1      TYR  30 -31.186  10.161   4.340
  274    HE2  TYR  30           HE2      TYR  30 -27.854   8.242   2.530
  275    HH   TYR  30           HH       TYR  30 -29.738  11.117   2.728
  276    H    HIS  31           HN       HIS  31 -32.083   4.916   8.434
  277    HA   HIS  31           HA       HIS  31 -32.150   1.979   7.899
  278   1HB   HIS  31           HB1      HIS  31 -32.819   1.980  10.421
  279   2HB   HIS  31           HB2      HIS  31 -32.400   3.689  10.411
  280    HD1  HIS  31           HD1      HIS  31 -30.868   0.443  10.521
  281    HD2  HIS  31           HD2      HIS  31 -29.618   4.229   9.782
  282    HE1  HIS  31           HE1      HIS  31 -28.449   0.351  10.715
  283    H    CYS  32           HN       CYS  32 -34.066   0.831   7.843
  284    HA   CYS  32           HA       CYS  32 -36.457   2.257   7.170
  285   1HB   CYS  32           HB1      CYS  32 -35.828  -0.611   7.929
  286   2HB   CYS  32           HB2      CYS  32 -36.292   0.015   6.368
  287    H    THR  33           HN       THR  33 -38.364   2.565   8.360
  288    HA   THR  33           HA       THR  33 -37.904   2.966  11.222
  289    HB   THR  33           HB       THR  33 -40.336   3.424   9.398
  290    HG1  THR  33           HG1      THR  33 -39.601   5.610  10.124
  291   1HG2  THR  33          HG21      THR  33 -39.915   3.723  12.389
  292   2HG2  THR  33          HG22      THR  33 -41.408   3.357  11.529
  293   3HG2  THR  33          HG23      THR  33 -40.788   5.004  11.555
  294    OH   TYR  34           OH       TYR  34 -44.502   2.636   9.347
  295    H    TYR  34           HN       TYR  34 -38.258   0.226   9.775
  296    HA   TYR  34           HA       TYR  34 -39.926  -0.922  11.952
  297   1HB   TYR  34           HB1      TYR  34 -41.111  -2.373  10.333
  298   2HB   TYR  34           HB2      TYR  34 -40.183  -1.696   9.003
  299    HD1  TYR  34           HD2      TYR  34 -40.453   0.803   8.496
  300    HD2  TYR  34           HD1      TYR  34 -43.083  -1.285  11.107
  301    HE1  TYR  34           HE2      TYR  34 -42.138   2.561   8.208
  302    HE2  TYR  34           HE1      TYR  34 -44.763   0.478  10.818
  303    HH   TYR  34           HH       TYR  34 -45.364   2.218   9.269
  304    H    CYS  35           HN       CYS  35 -38.307  -2.123   9.022
  305    HA   CYS  35           HA       CYS  35 -37.296  -4.478  10.301
  306   1HB   CYS  35           HB1      CYS  35 -35.955  -4.747   8.291
  307   2HB   CYS  35           HB2      CYS  35 -36.066  -3.052   7.919
  308    H    ASN  36           HN       ASN  36 -34.686  -4.631   9.576
  309    HA   ASN  36           HA       ASN  36 -33.354  -2.621  11.347
  310   1HB   ASN  36           HB1      ASN  36 -32.776  -5.605  10.952
  311   2HB   ASN  36           HB2      ASN  36 -33.415  -4.860  12.416
  312   1HD2  ASN  36          HD21      ASN  36 -31.938  -3.269  13.536
  313   2HD2  ASN  36          HD22      ASN  36 -30.259  -3.474  13.398
  314    H    PHE  37           HN       PHE  37 -33.767  -3.483   8.278
  315    HA   PHE  37           HA       PHE  37 -30.995  -3.552   7.367
  316   1HB   PHE  37           HB1      PHE  37 -33.281  -2.866   5.529
  317   2HB   PHE  37           HB2      PHE  37 -33.304  -4.461   6.279
  318    HD1  PHE  37           HD2      PHE  37 -31.169  -5.907   6.058
  319    HD2  PHE  37           HD1      PHE  37 -31.884  -2.449   3.681
  320    HE1  PHE  37           HE2      PHE  37 -29.511  -6.686   4.422
  321    HE2  PHE  37           HE1      PHE  37 -30.225  -3.233   2.046
  322    HZ   PHE  37           HZ       PHE  37 -29.038  -5.350   2.416
  323    H    SER  38           HN       SER  38 -30.082  -1.917   5.964
  324    HA   SER  38           HA       SER  38 -31.364   0.736   6.087
  325   1HB   SER  38           HB1      SER  38 -28.515   0.331   7.086
  326   2HB   SER  38           HB2      SER  38 -29.903   0.386   8.177
  327    HG   SER  38           HG1      SER  38 -29.598   2.326   6.169
  328    H    PHE  39           HN       PHE  39 -30.016   2.373   4.910
  329    HA   PHE  39           HA       PHE  39 -28.410   1.112   2.738
  330   1HB   PHE  39           HB1      PHE  39 -29.711   2.281   1.078
  331   2HB   PHE  39           HB2      PHE  39 -30.458   3.312   2.296
  332    HD1  PHE  39           HD2      PHE  39 -32.075   2.306   3.936
  333    HD2  PHE  39           HD1      PHE  39 -30.612   0.080   0.619
  334    HE1  PHE  39           HE2      PHE  39 -33.891   0.685   4.229
  335    HE2  PHE  39           HE1      PHE  39 -32.434  -1.544   0.913
  336    HZ   PHE  39           HZ       PHE  39 -34.075  -1.241   2.720
  337    H    LYS  40           HN       LYS  40 -27.039   2.618   1.604
  338    HA   LYS  40           HA       LYS  40 -25.981   4.680   3.426
  339   1HB   LYS  40           HB1      LYS  40 -25.074   3.550   0.732
  340   2HB   LYS  40           HB2      LYS  40 -24.409   3.170   2.303
  341   1HG   LYS  40           HG1      LYS  40 -24.246   5.859   0.905
  342   2HG   LYS  40           HG2      LYS  40 -22.921   4.737   1.174
  343   1HD   LYS  40           HD1      LYS  40 -23.614   4.948   3.699
  344   2HD   LYS  40           HD2      LYS  40 -24.367   6.448   3.173
  345   1HE   LYS  40           HE1      LYS  40 -21.471   5.701   3.238
  346   2HE   LYS  40           HE2      LYS  40 -22.237   7.229   3.652
  347   1HZ   LYS  40           HZ1      LYS  40 -21.400   6.213   1.049
  348   2HZ   LYS  40           HZ2      LYS  40 -21.327   7.789   1.677
  349   3HZ   LYS  40           HZ3      LYS  40 -22.800   7.175   1.096
  350    H    THR  41           HN       THR  41 -28.107   4.463   0.808
  351    HA   THR  41           HA       THR  41 -27.867   7.406   0.339
  352    HB   THR  41           HB       THR  41 -28.307   7.035  -2.004
  353    HG1  THR  41           HG1      THR  41 -29.290   5.114  -2.621
  354   1HG2  THR  41          HG21      THR  41 -26.092   5.841  -1.108
  355   2HG2  THR  41          HG22      THR  41 -26.688   5.353  -2.691
  356   3HG2  THR  41          HG23      THR  41 -27.017   4.352  -1.280
  357    H    LYS  42           HN       LYS  42 -29.801   8.503  -0.189
  358    HA   LYS  42           HA       LYS  42 -32.047   7.570   1.378
  359   1HB   LYS  42           HB1      LYS  42 -31.738  10.006  -0.436
  360   2HB   LYS  42           HB2      LYS  42 -31.384   9.979   1.287
  361   1HG   LYS  42           HG1      LYS  42 -33.938   8.956   1.227
  362   2HG   LYS  42           HG2      LYS  42 -33.988  10.121  -0.091
  363   1HD   LYS  42           HD1      LYS  42 -32.997  11.831   1.474
  364   2HD   LYS  42           HD2      LYS  42 -33.160  10.661   2.779
  365   1HE   LYS  42           HE1      LYS  42 -35.486  11.529   1.040
  366   2HE   LYS  42           HE2      LYS  42 -35.088  12.307   2.566
  367   1HZ   LYS  42           HZ1      LYS  42 -36.776  10.587   2.814
  368   2HZ   LYS  42           HZ2      LYS  42 -35.374  10.215   3.696
  369   3HZ   LYS  42           HZ3      LYS  42 -35.689   9.422   2.228
  370    H    GLY  43           HN       GLY  43 -31.060   7.262  -1.850
  371   1HA   GLY  43           HA1      GLY  43 -32.178   6.498  -3.776
  372   2HA   GLY  43           HA2      GLY  43 -33.648   7.221  -3.127
  373    H    ASN  44           HN       ASN  44 -31.482   4.479  -2.434
  374    HA   ASN  44           HA       ASN  44 -33.238   2.397  -2.875
  375   1HB   ASN  44           HB1      ASN  44 -31.956   1.271  -0.882
  376   2HB   ASN  44           HB2      ASN  44 -31.074   2.790  -0.773
  377   1HD2  ASN  44          HD21      ASN  44 -31.512   3.017  -3.860
  378   2HD2  ASN  44          HD22      ASN  44 -30.287   2.030  -4.497
  379    H    LEU  45           HN       LEU  45 -33.186   4.591  -0.155
  380    HA   LEU  45           HA       LEU  45 -34.848   3.146   1.624
  381   1HB   LEU  45           HB1      LEU  45 -35.021   6.158   1.208
  382   2HB   LEU  45           HB2      LEU  45 -33.572   5.440   1.890
  383    HG   LEU  45           HG       LEU  45 -35.130   6.222   3.659
  384   1HD1  LEU  45          HD11      LEU  45 -37.328   5.389   3.925
  385   2HD1  LEU  45          HD12      LEU  45 -37.070   4.057   2.810
  386   3HD1  LEU  45          HD13      LEU  45 -37.199   5.699   2.198
  387   1HD2  LEU  45          HD21      LEU  45 -34.695   4.437   5.050
  388   2HD2  LEU  45          HD22      LEU  45 -33.696   3.955   3.689
  389   3HD2  LEU  45          HD23      LEU  45 -35.285   3.241   3.906
  390    H    THR  46           HN       THR  46 -35.813   5.736  -0.632
  391    HA   THR  46           HA       THR  46 -38.587   5.474  -0.347
  392    HB   THR  46           HB       THR  46 -36.999   6.036  -2.929
  393    HG1  THR  46           HG1      THR  46 -38.111   8.112  -1.638
  394   1HG2  THR  46          HG21      THR  46 -39.883   6.532  -2.020
  395   2HG2  THR  46          HG22      THR  46 -39.352   5.834  -3.547
  396   3HG2  THR  46          HG23      THR  46 -39.131   7.555  -3.242
  397    H    LYS  47           HN       LYS  47 -36.318   3.493  -2.106
  398    HA   LYS  47           HA       LYS  47 -38.268   2.022  -3.635
  399   1HB   LYS  47           HB1      LYS  47 -35.695   0.743  -2.720
  400   2HB   LYS  47           HB2      LYS  47 -35.583   2.177  -3.734
  401   1HG   LYS  47           HG1      LYS  47 -36.830   1.140  -5.500
  402   2HG   LYS  47           HG2      LYS  47 -37.325  -0.191  -4.459
  403   1HD   LYS  47           HD1      LYS  47 -34.961  -0.916  -4.271
  404   2HD   LYS  47           HD2      LYS  47 -34.476   0.407  -5.324
  405   1HE   LYS  47           HE1      LYS  47 -36.443  -1.767  -6.106
  406   2HE   LYS  47           HE2      LYS  47 -34.739  -1.767  -6.546
  407   1HZ   LYS  47           HZ1      LYS  47 -35.922   0.718  -7.189
  408   2HZ   LYS  47           HZ2      LYS  47 -36.813  -0.547  -7.889
  409   3HZ   LYS  47           HZ3      LYS  47 -35.151  -0.400  -8.209
  410    H    HIS  48           HN       HIS  48 -36.593   1.278  -0.570
  411    HA   HIS  48           HA       HIS  48 -37.921  -1.236  -0.188
  412   1HB   HIS  48           HB1      HIS  48 -36.674   0.710   1.819
  413   2HB   HIS  48           HB2      HIS  48 -35.891  -0.687   1.088
  414    HD1  HIS  48           HD1      HIS  48 -37.555  -2.929   1.600
  415    HD2  HIS  48           HD2      HIS  48 -37.555   0.095   4.354
  416    HE1  HIS  48           HE1      HIS  48 -38.401  -3.932   3.664
  417    H    MET  49           HN       MET  49 -38.754   2.058   0.769
  418    HA   MET  49           HA       MET  49 -41.000   1.221   2.407
  419   1HB   MET  49           HB1      MET  49 -41.630   3.749   2.002
  420   2HB   MET  49           HB2      MET  49 -40.059   3.849   1.213
  421   1HG   MET  49           HG1      MET  49 -39.726   4.446   3.501
  422   2HG   MET  49           HG2      MET  49 -39.032   2.864   3.265
  423   1HE   MET  49           HE1      MET  49 -41.663   4.229   6.495
  424   2HE   MET  49           HE2      MET  49 -41.610   5.065   4.942
  425   3HE   MET  49           HE3      MET  49 -40.120   4.779   5.840
  426    H    LYS  50           HN       LYS  50 -40.544   1.968  -0.971
  427    HA   LYS  50           HA       LYS  50 -43.246   2.451  -1.697
  428   1HB   LYS  50           HB1      LYS  50 -40.989   1.073  -3.233
  429   2HB   LYS  50           HB2      LYS  50 -41.390   2.788  -3.285
  430   1HG   LYS  50           HG1      LYS  50 -43.768   1.929  -4.014
  431   2HG   LYS  50           HG2      LYS  50 -42.905   0.457  -4.443
  432   1HD   LYS  50           HD1      LYS  50 -42.228   3.250  -5.432
  433   2HD   LYS  50           HD2      LYS  50 -43.037   2.003  -6.374
  434   1HE   LYS  50           HE1      LYS  50 -40.844   0.624  -5.531
  435   2HE   LYS  50           HE2      LYS  50 -40.175   2.247  -5.622
  436   1HZ   LYS  50           HZ1      LYS  50 -41.656   1.970  -7.906
  437   2HZ   LYS  50           HZ2      LYS  50 -40.885   0.468  -7.722
  438   3HZ   LYS  50           HZ3      LYS  50 -39.963   1.893  -7.779
  439    H    SER  51           HN       SER  51 -41.513  -0.539  -1.097
  440    HA   SER  51           HA       SER  51 -43.422  -2.336  -2.217
  441   1HB   SER  51           HB1      SER  51 -41.568  -2.703   0.202
  442   2HB   SER  51           HB2      SER  51 -41.162  -3.089  -1.483
  443    HG   SER  51           HG1      SER  51 -43.547  -4.075  -0.402
  444    H    LYS  52           HN       LYS  52 -45.058  -3.566  -1.209
  445    HA   LYS  52           HA       LYS  52 -46.633  -2.029   0.696
  446   1HB   LYS  52           HB1      LYS  52 -47.197  -4.922  -0.005
  447   2HB   LYS  52           HB2      LYS  52 -47.374  -3.693  -1.252
  448   1HG   LYS  52           HG1      LYS  52 -49.080  -2.565  -0.069
  449   2HG   LYS  52           HG2      LYS  52 -48.641  -3.317   1.460
  450   1HD   LYS  52           HD1      LYS  52 -49.716  -5.309   0.945
  451   2HD   LYS  52           HD2      LYS  52 -49.489  -5.105  -0.788
  452   1HE   LYS  52           HE1      LYS  52 -51.339  -3.369   0.875
  453   2HE   LYS  52           HE2      LYS  52 -51.879  -4.792  -0.005
  454   1HZ   LYS  52           HZ1      LYS  52 -50.420  -3.319  -1.808
  455   2HZ   LYS  52           HZ2      LYS  52 -51.360  -2.179  -0.969
  456   3HZ   LYS  52           HZ3      LYS  52 -52.109  -3.487  -1.753
  457    H    ALA  53           HN       ALA  53 -43.951  -3.564   1.303
  458    HA   ALA  53           HA       ALA  53 -44.348  -5.580   3.182
  459   1HB   ALA  53           HB1      ALA  53 -42.210  -4.875   4.159
  460   2HB   ALA  53           HB2      ALA  53 -42.404  -3.245   3.523
  461   3HB   ALA  53           HB3      ALA  53 -42.118  -4.591   2.424
  462    H    HIS  54           HN       HIS  54 -43.719  -2.257   4.278
  463    HA   HIS  54           HA       HIS  54 -46.068  -2.350   6.017
  464   1HB   HIS  54           HB1      HIS  54 -44.727  -3.391   7.602
  465   2HB   HIS  54           HB2      HIS  54 -44.290  -1.724   7.949
  466    HD1  HIS  54           HD1      HIS  54 -42.933  -4.782   6.462
  467    HD2  HIS  54           HD2      HIS  54 -41.672  -0.935   7.030
  468    HE1  HIS  54           HE1      HIS  54 -40.510  -4.829   6.114
  469    H    SER  55           HN       SER  55 -46.736  -0.489   5.018
  470    HA   SER  55           HA       SER  55 -45.524   1.963   6.054
  471   1HB   SER  55           HB1      SER  55 -44.155   1.698   4.025
  472   2HB   SER  55           HB2      SER  55 -45.384   2.917   3.633
  473    HG   SER  55           HG1      SER  55 -46.282   0.359   3.348
  474    H    LYS  56           HN       LYS  56 -47.514   2.318   7.011
  475    HA   LYS  56           HA       LYS  56 -49.981   2.266   5.466
  476   1HB   LYS  56           HB1      LYS  56 -50.981   3.177   7.552
  477   2HB   LYS  56           HB2      LYS  56 -49.378   3.523   8.188
  478   1HG   LYS  56           HG1      LYS  56 -48.836   1.078   8.015
  479   2HG   LYS  56           HG2      LYS  56 -50.501   0.782   7.523
  480   1HD   LYS  56           HD1      LYS  56 -51.332   1.681   9.638
  481   2HD   LYS  56           HD2      LYS  56 -49.701   2.134  10.122
  482   1HE   LYS  56           HE1      LYS  56 -49.022  -0.124  10.366
  483   2HE   LYS  56           HE2      LYS  56 -50.375  -0.724   9.416
  484   1HZ   LYS  56           HZ1      LYS  56 -50.405   0.345  12.169
  485   2HZ   LYS  56           HZ2      LYS  56 -50.919  -1.178  11.620
  486   3HZ   LYS  56           HZ3      LYS  56 -51.824   0.210  11.245
  487    H    LYS  57           HN       LYS  57 -48.436   3.821   3.983
  488    HA   LYS  57           HA       LYS  57 -48.271   6.561   4.543
  489   1HB   LYS  57           HB1      LYS  57 -48.944   5.333   1.830
  490   2HB   LYS  57           HB2      LYS  57 -47.324   5.322   2.517
  491   1HG   LYS  57           HG1      LYS  57 -47.337   7.788   2.620
  492   2HG   LYS  57           HG2      LYS  57 -48.972   7.813   1.968
  493   1HD   LYS  57           HD1      LYS  57 -48.212   6.796  -0.113
  494   2HD   LYS  57           HD2      LYS  57 -46.593   6.578   0.542
  495   1HE   LYS  57           HE1      LYS  57 -46.975   8.631  -0.978
  496   2HE   LYS  57           HE2      LYS  57 -46.166   8.916   0.558
  497   1HZ   LYS  57           HZ1      LYS  57 -47.813  10.560   0.326
  498   2HZ   LYS  57           HZ2      LYS  57 -48.403   9.462   1.479
  499   3HZ   LYS  57                 LYS  57 -49.003   9.429  -0.109
   
  Start of MODEL          37
 Raw file had 499 H/Q atoms
  Start of MODEL   37
    1   1H    LYS   1           HT1      LYS   1 -13.523  -8.439 -13.152
    2   2H    LYS   1           HT2      LYS   1 -15.026  -7.794 -12.695
    3   3H    LYS   1           HT3      LYS   1 -14.938  -9.354 -13.358
    4    HA   LYS   1           HA       LYS   1 -14.764 -10.208 -11.357
    5   1HB   LYS   1           HB1      LYS   1 -12.562  -8.702 -10.212
    6   2HB   LYS   1           HB2      LYS   1 -12.204  -9.027 -11.904
    7   1HG   LYS   1           HG1      LYS   1 -12.554 -11.406 -11.588
    8   2HG   LYS   1           HG2      LYS   1 -13.143 -11.148  -9.950
    9   1HD   LYS   1           HD1      LYS   1 -10.995 -10.505  -9.159
   10   2HD   LYS   1           HD2      LYS   1 -10.381 -10.251 -10.789
   11   1HE   LYS   1           HE1      LYS   1 -10.260 -12.569 -11.233
   12   2HE   LYS   1           HE2      LYS   1 -11.354 -12.971  -9.916
   13   1HZ   LYS   1           HZ1      LYS   1  -9.231 -11.652  -8.759
   14   2HZ   LYS   1           HZ2      LYS   1  -8.538 -12.720  -9.883
   15   3HZ   LYS   1           HZ3      LYS   1  -9.577 -13.313  -8.678
   16    OH   TYR   2           OH       TYR   2 -11.587  -3.005 -12.110
   17    H    TYR   2           HN       TYR   2 -15.918  -7.354 -11.801
   18    HA   TYR   2           HA       TYR   2 -15.840  -6.381  -9.005
   19   1HB   TYR   2           HB1      TYR   2 -17.131  -4.462  -9.936
   20   2HB   TYR   2           HB2      TYR   2 -17.245  -5.286 -11.488
   21    HD1  TYR   2           HD2      TYR   2 -14.811  -3.868  -9.050
   22    HD2  TYR   2           HD1      TYR   2 -15.449  -5.174 -13.048
   23    HE1  TYR   2           HE2      TYR   2 -12.637  -2.935  -9.702
   24    HE2  TYR   2           HE1      TYR   2 -13.274  -4.248 -13.698
   25    HH   TYR   2           HH       TYR   2 -10.901  -3.556 -11.727
   26    H    ILE   3           HN       ILE   3 -17.021  -8.829  -9.172
   27    HA   ILE   3           HA       ILE   3 -19.949  -8.280  -9.028
   28    HB   ILE   3           HB       ILE   3 -18.652 -11.023  -8.966
   29   1HG1  ILE   3          HG11      ILE   3 -17.667  -9.945 -10.909
   30   2HG1  ILE   3          HG12      ILE   3 -19.231  -9.313 -11.411
   31   1HG2  ILE   3          HG21      ILE   3 -21.226 -10.324  -8.660
   32   2HG2  ILE   3          HG22      ILE   3 -20.808 -11.750  -9.601
   33   3HG2  ILE   3          HG23      ILE   3 -21.190 -10.236 -10.416
   34   1HD1  ILE   3           HD1      ILE   3 -20.017 -11.423 -12.066
   35   2HD1  ILE   3           HD2      ILE   3 -18.891 -12.277 -11.017
   36   3HD1  ILE   3           HD3      ILE   3 -18.314 -11.531 -12.505
   37    H    CYS   4           HN       CYS   4 -20.360  -7.630  -6.932
   38    HA   CYS   4           HA       CYS   4 -18.914  -8.430  -4.658
   39   1HB   CYS   4           HB1      CYS   4 -21.803  -7.617  -5.013
   40   2HB   CYS   4           HB2      CYS   4 -20.494  -6.656  -4.391
   41    H    GLU   5           HN       GLU   5 -18.543 -10.384  -3.975
   42    HA   GLU   5           HA       GLU   5 -19.906 -12.719  -4.744
   43   1HB   GLU   5           HB1      GLU   5 -18.756 -13.740  -2.715
   44   2HB   GLU   5           HB2      GLU   5 -18.263 -12.117  -2.247
   45   1HG   GLU   5           HG1      GLU   5 -16.433 -13.110  -3.492
   46   2HG   GLU   5           HG2      GLU   5 -17.173 -11.885  -4.522
   47    H    GLU   6           HN       GLU   6 -20.744 -10.423  -2.277
   48    HA   GLU   6           HA       GLU   6 -22.490 -12.271  -0.878
   49   1HB   GLU   6           HB1      GLU   6 -22.634  -9.260  -0.640
   50   2HB   GLU   6           HB2      GLU   6 -21.253 -10.119   0.023
   51   1HG   GLU   6           HG1      GLU   6 -22.811 -11.562   1.334
   52   2HG   GLU   6           HG2      GLU   6 -24.168 -10.624   0.714
   53    H    CYS   7           HN       CYS   7 -23.205  -9.169  -2.467
   54    HA   CYS   7           HA       CYS   7 -25.978  -9.996  -2.867
   55   1HB   CYS   7           HB1      CYS   7 -26.304  -7.803  -3.754
   56   2HB   CYS   7           HB2      CYS   7 -24.626  -7.634  -4.180
   57    H    GLY   8           HN       GLY   8 -23.311  -9.059  -5.008
   58   1HA   GLY   8           HA1      GLY   8 -24.508 -10.803  -7.126
   59   2HA   GLY   8           HA2      GLY   8 -22.779 -10.541  -6.936
   60    H    ILE   9           HN       ILE   9 -23.626  -7.625  -6.245
   61    HA   ILE   9           HA       ILE   9 -24.770  -6.472  -8.552
   62    HB   ILE   9           HB       ILE   9 -24.237  -5.398  -6.231
   63   1HG1  ILE   9          HG11      ILE   9 -24.213  -4.210  -8.942
   64   2HG1  ILE   9          HG12      ILE   9 -23.592  -3.167  -7.667
   65   1HG2  ILE   9          HG21      ILE   9 -21.693  -5.922  -6.588
   66   2HG2  ILE   9          HG22      ILE   9 -22.090  -4.318  -6.005
   67   3HG2  ILE   9          HG23      ILE   9 -21.690  -4.557  -7.698
   68   1HD1  ILE   9           HD1      ILE   9 -26.131  -3.076  -8.090
   69   2HD1  ILE   9           HD2      ILE   9 -25.624  -3.312  -6.420
   70   3HD1  ILE   9           HD3      ILE   9 -26.197  -4.681  -7.368
   71    NH1  ARG  10           NH2      ARG  10 -19.102  -8.874 -15.194
   72    NH2  ARG  10           NH1      ARG  10 -20.055  -9.900 -16.999
   73    H    ARG  10           HN       ARG  10 -24.039  -6.201 -10.549
   74    HA   ARG  10           HA       ARG  10 -21.159  -6.754 -11.066
   75   1HB   ARG  10           HB1      ARG  10 -23.483  -6.555 -13.039
   76   2HB   ARG  10           HB2      ARG  10 -22.989  -8.058 -12.272
   77   1HG   ARG  10           HG1      ARG  10 -20.619  -7.505 -13.199
   78   2HG   ARG  10           HG2      ARG  10 -21.453  -6.364 -14.245
   79   1HD   ARG  10           HD1      ARG  10 -23.008  -8.363 -14.837
   80   2HD   ARG  10           HD2      ARG  10 -21.740  -9.369 -14.138
   81    HE   ARG  10           HE       ARG  10 -21.454  -7.693 -16.577
   82   1HH1  ARG  10          HH21      ARG  10 -19.170  -8.201 -14.456
   83   2HH1  ARG  10          HH22      ARG  10 -18.273  -9.422 -15.295
   84   1HH2  ARG  10          HH11      ARG  10 -20.837  -9.996 -17.615
   85   2HH2  ARG  10          HH12      ARG  10 -19.242 -10.466 -17.131
   86    H    ABA  11           HN       ABU  11 -20.173  -4.800 -10.712
   87    HA   ABA  11           HA       ABU  11 -21.187  -2.464 -12.293
   88   1HB   ABA  11           HB1      ABU  11 -19.652  -1.164 -10.753
   89   2HB   ABA  11           HB2      ABU  11 -19.317  -2.652  -9.897
   90   1HG   ABA  11           HG1      ABU  11 -21.983  -1.245 -10.174
   91   2HG   ABA  11           HG2      ABU  11 -21.093  -1.570  -8.689
   92   3HG   ABA  11           HG3      ABU  11 -21.837  -2.896  -9.578
   93    H    LYS  12           HN       LYS  12 -20.233  -2.354 -14.194
   94    HA   LYS  12           HA       LYS  12 -17.735  -3.521 -14.855
   95   1HB   LYS  12           HB1      LYS  12 -17.951  -1.980 -16.905
   96   2HB   LYS  12           HB2      LYS  12 -19.409  -1.340 -16.156
   97   1HG   LYS  12           HG1      LYS  12 -20.332  -3.665 -16.053
   98   2HG   LYS  12           HG2      LYS  12 -18.897  -4.245 -16.884
   99   1HD   LYS  12           HD1      LYS  12 -20.679  -3.910 -18.525
  100   2HD   LYS  12           HD2      LYS  12 -19.419  -2.715 -18.794
  101   1HE   LYS  12           HE1      LYS  12 -20.749  -0.963 -18.121
  102   2HE   LYS  12           HE2      LYS  12 -21.588  -1.923 -16.911
  103   1HZ   LYS  12           HZ1      LYS  12 -23.077  -2.711 -18.417
  104   2HZ   LYS  12           HZ2      LYS  12 -22.027  -2.534 -19.740
  105   3HZ   LYS  12           HZ3      LYS  12 -22.787  -1.171 -19.071
  106    H    LYS  13           HN       LYS  13 -18.003  -1.192 -12.679
  107    HA   LYS  13           HA       LYS  13 -15.399  -0.020 -13.468
  108   1HB   LYS  13           HB1      LYS  13 -16.412   2.210 -12.476
  109   2HB   LYS  13           HB2      LYS  13 -17.962   1.434 -12.792
  110   1HG   LYS  13           HG1      LYS  13 -17.266   1.081 -15.164
  111   2HG   LYS  13           HG2      LYS  13 -15.767   1.940 -14.831
  112   1HD   LYS  13           HD1      LYS  13 -17.198   3.902 -14.052
  113   2HD   LYS  13           HD2      LYS  13 -18.589   3.043 -14.707
  114   1HE   LYS  13           HE1      LYS  13 -16.108   3.714 -16.323
  115   2HE   LYS  13           HE2      LYS  13 -17.561   4.703 -16.310
  116   1HZ   LYS  13           HZ1      LYS  13 -17.155   2.021 -17.423
  117   2HZ   LYS  13           HZ2      LYS  13 -17.924   3.370 -18.109
  118   3HZ   LYS  13           HZ3      LYS  13 -18.707   2.472 -16.898
  119    HA   PRO  14           HA       PRO  14 -14.336  -0.751  -9.215
  120   1HB   PRO  14           HB1      PRO  14 -12.130  -0.080  -9.379
  121   2HB   PRO  14           HB2      PRO  14 -12.645   1.518  -8.837
  122   1HG   PRO  14           HG1      PRO  14 -11.579   0.912 -11.383
  123   2HG   PRO  14           HG2      PRO  14 -12.427   2.399 -10.955
  124   1HD   PRO  14           HD1      PRO  14 -14.072   1.770 -12.427
  125   2HD   PRO  14           HD2      PRO  14 -13.351   0.158 -12.598
  126    H    SER  15           HN       SER  15 -14.190   2.797  -9.500
  127    HA   SER  15           HA       SER  15 -15.044   3.660  -7.082
  128   1HB   SER  15           HB1      SER  15 -14.756   5.058  -9.260
  129   2HB   SER  15           HB2      SER  15 -16.071   5.600  -8.197
  130    HG   SER  15           HG1      SER  15 -16.506   5.097 -10.565
  131    H    MET  16           HN       MET  16 -17.180   2.230  -9.499
  132    HA   MET  16           HA       MET  16 -19.572   2.638  -7.932
  133   1HB   MET  16           HB1      MET  16 -20.367   0.698  -9.541
  134   2HB   MET  16           HB2      MET  16 -18.796   0.923 -10.306
  135   1HG   MET  16           HG1      MET  16 -19.391   3.431 -10.326
  136   2HG   MET  16           HG2      MET  16 -21.026   2.920 -10.002
  137   1HE   MET  16           HE1      MET  16 -22.374   1.417 -13.107
  138   2HE   MET  16           HE2      MET  16 -22.634   2.058 -11.484
  139   3HE   MET  16           HE3      MET  16 -21.748   0.548 -11.704
  140    H    LEU  17           HN       LEU  17 -17.595  -0.284  -8.590
  141    HA   LEU  17           HA       LEU  17 -18.999  -1.878  -6.657
  142   1HB   LEU  17           HB1      LEU  17 -16.092  -2.281  -7.464
  143   2HB   LEU  17           HB2      LEU  17 -17.380  -2.597  -8.602
  144    HG   LEU  17           HG       LEU  17 -16.630  -4.662  -7.384
  145   1HD1  LEU  17          HD11      LEU  17 -16.188  -3.362  -5.216
  146   2HD1  LEU  17          HD12      LEU  17 -16.930  -4.947  -5.055
  147   3HD1  LEU  17          HD13      LEU  17 -17.913  -3.501  -4.908
  148   1HD2  LEU  17          HD21      LEU  17 -18.763  -5.580  -7.175
  149   2HD2  LEU  17          HD22      LEU  17 -19.098  -4.169  -8.163
  150   3HD2  LEU  17          HD23      LEU  17 -19.445  -4.136  -6.445
  151    H    LYS  18           HN       LYS  18 -15.772  -0.412  -6.599
  152    HA   LYS  18           HA       LYS  18 -14.863  -0.875  -4.098
  153   1HB   LYS  18           HB1      LYS  18 -14.964   1.805  -5.555
  154   2HB   LYS  18           HB2      LYS  18 -13.667   0.618  -5.615
  155   1HG   LYS  18           HG1      LYS  18 -13.825   1.028  -2.930
  156   2HG   LYS  18           HG2      LYS  18 -14.304   2.613  -3.515
  157   1HD   LYS  18           HD1      LYS  18 -11.781   1.117  -4.304
  158   2HD   LYS  18           HD2      LYS  18 -11.857   2.506  -3.226
  159   1HE   LYS  18           HE1      LYS  18 -12.282   2.398  -6.203
  160   2HE   LYS  18           HE2      LYS  18 -11.314   3.523  -5.265
  161   1HZ   LYS  18           HZ1      LYS  18 -13.412   4.447  -6.186
  162   2HZ   LYS  18           HZ2      LYS  18 -13.243   4.624  -4.505
  163   3HZ   LYS  18           HZ3      LYS  18 -14.271   3.426  -5.134
  164    H    LYS  19           HN       LYS  19 -17.266   1.666  -4.823
  165    HA   LYS  19           HA       LYS  19 -17.586   2.352  -2.050
  166   1HB   LYS  19           HB1      LYS  19 -19.948   3.135  -3.306
  167   2HB   LYS  19           HB2      LYS  19 -18.815   3.088  -4.650
  168   1HG   LYS  19           HG1      LYS  19 -18.279   4.555  -2.043
  169   2HG   LYS  19           HG2      LYS  19 -18.917   5.325  -3.489
  170   1HD   LYS  19           HD1      LYS  19 -16.925   4.676  -4.759
  171   2HD   LYS  19           HD2      LYS  19 -16.296   3.806  -3.366
  172   1HE   LYS  19           HE1      LYS  19 -16.079   5.852  -2.093
  173   2HE   LYS  19           HE2      LYS  19 -16.943   6.767  -3.322
  174   1HZ   LYS  19           HZ1      LYS  19 -14.887   5.600  -4.677
  175   2HZ   LYS  19           HZ2      LYS  19 -14.185   6.054  -3.199
  176   3HZ   LYS  19           HZ3      LYS  19 -14.961   7.217  -4.164
  177    H    HIS  20           HN       HIS  20 -19.283   0.231  -4.289
  178    HA   HIS  20           HA       HIS  20 -21.519  -0.377  -2.660
  179   1HB   HIS  20           HB1      HIS  20 -19.991  -2.135  -4.626
  180   2HB   HIS  20           HB2      HIS  20 -21.382  -1.136  -5.019
  181    HD1  HIS  20           HD1      HIS  20 -23.517  -2.405  -4.780
  182    HD2  HIS  20           HD2      HIS  20 -20.552  -4.205  -2.654
  183    HE1  HIS  20           HE1      HIS  20 -24.512  -4.454  -3.880
  184    H    ILE  21           HN       ILE  21 -18.368  -2.042  -2.909
  185    HA   ILE  21           HA       ILE  21 -19.018  -3.964  -0.917
  186    HB   ILE  21           HB       ILE  21 -16.942  -3.779  -2.601
  187   1HG1  ILE  21          HG11      ILE  21 -17.181  -5.111   0.085
  188   2HG1  ILE  21          HG12      ILE  21 -15.673  -5.266  -0.808
  189   1HG2  ILE  21          HG21      ILE  21 -16.105  -1.751  -1.162
  190   2HG2  ILE  21          HG22      ILE  21 -14.923  -2.977  -1.559
  191   3HG2  ILE  21          HG23      ILE  21 -15.654  -2.944   0.040
  192   1HD1  ILE  21           HD1      ILE  21 -18.434  -5.980  -1.866
  193   2HD1  ILE  21           HD2      ILE  21 -17.201  -7.125  -1.356
  194   3HD1  ILE  21           HD3      ILE  21 -16.932  -6.116  -2.772
  195    NH1  ARG  22           NH1      ARG  22 -13.064   4.001   1.517
  196    NH2  ARG  22           NH2      ARG  22 -14.833   5.372   1.974
  197    H    ARG  22           HN       ARG  22 -17.863  -0.680  -0.681
  198    HA   ARG  22           HA       ARG  22 -17.104  -0.876   2.113
  199   1HB   ARG  22           HB1      ARG  22 -17.467   1.709   1.944
  200   2HB   ARG  22           HB2      ARG  22 -17.823   1.423   0.245
  201   1HG   ARG  22           HG1      ARG  22 -15.627   0.312  -0.028
  202   2HG   ARG  22           HG2      ARG  22 -15.270   0.604   1.671
  203   1HD   ARG  22           HD1      ARG  22 -15.997   2.874  -0.190
  204   2HD   ARG  22           HD2      ARG  22 -14.335   2.308  -0.039
  205    HE   ARG  22           HE       ARG  22 -15.635   2.906   2.520
  206   1HH1  ARG  22          HH11      ARG  22 -12.717   3.080   1.338
  207   2HH1  ARG  22          HH12      ARG  22 -12.435   4.777   1.529
  208   1HH2  ARG  22          HH21      ARG  22 -15.814   5.478   2.136
  209   2HH2  ARG  22          HH22      ARG  22 -14.234   6.172   1.993
  210    H    THR  23           HN       THR  23 -20.110  -0.575   0.447
  211    HA   THR  23           HA       THR  23 -21.593   0.638   2.582
  212    HB   THR  23           HB       THR  23 -22.759  -1.366   0.560
  213    HG1  THR  23           HG1      THR  23 -21.334   0.011  -0.505
  214   1HG2  THR  23          HG21      THR  23 -24.167   1.110   0.612
  215   2HG2  THR  23          HG22      THR  23 -23.814   0.800   2.306
  216   3HG2  THR  23          HG23      THR  23 -24.717  -0.379   1.369
  217    H    HIS  24           HN       HIS  24 -20.521  -2.636   1.993
  218    HA   HIS  24           HA       HIS  24 -22.383  -3.867   3.867
  219   1HB   HIS  24           HB1      HIS  24 -20.586  -5.766   3.758
  220   2HB   HIS  24           HB2      HIS  24 -19.758  -4.753   2.581
  221    HD1  HIS  24           HD1      HIS  24 -23.271  -6.076   2.958
  222    HD2  HIS  24           HD2      HIS  24 -20.537  -5.292   0.050
  223    HE1  HIS  24           HE1      HIS  24 -24.332  -6.770   0.835
  224    H    THR  25           HN       THR  25 -20.500  -1.534   4.627
  225    HA   THR  25           HA       THR  25 -19.034  -2.812   6.862
  226    HB   THR  25           HB       THR  25 -18.153  -0.401   7.115
  227    HG1  THR  25           HG1      THR  25 -18.855   0.763   5.074
  228   1HG2  THR  25          HG21      THR  25 -18.068  -1.808   4.411
  229   2HG2  THR  25          HG22      THR  25 -16.761  -1.660   5.580
  230   3HG2  THR  25          HG23      THR  25 -17.255  -0.262   4.633
  231    H    ASP  26           HN       ASP  26 -20.002   0.380   7.334
  232    HA   ASP  26           HA       ASP  26 -22.477  -0.223   8.752
  233   1HB   ASP  26           HB1      ASP  26 -21.393   0.824  10.914
  234   2HB   ASP  26           HB2      ASP  26 -19.856   0.385  10.174
  235    H    VAL  27           HN       VAL  27 -21.444   1.431   6.623
  236    HA   VAL  27           HA       VAL  27 -21.783   4.162   7.759
  237    HB   VAL  27           HB       VAL  27 -19.819   3.731   6.310
  238   1HG1  VAL  27          HG11      VAL  27 -20.906   1.892   4.993
  239   2HG1  VAL  27          HG12      VAL  27 -20.070   3.063   3.987
  240   3HG1  VAL  27          HG13      VAL  27 -21.823   3.106   4.120
  241   1HG2  VAL  27          HG21      VAL  27 -21.671   5.818   6.020
  242   2HG2  VAL  27          HG22      VAL  27 -21.278   5.346   4.370
  243   3HG2  VAL  27          HG23      VAL  27 -19.997   5.828   5.476
  244    NH1  ARG  28           NH1      ARG  28 -26.947  -2.128   2.930
  245    NH2  ARG  28           NH2      ARG  28 -25.144  -3.170   3.873
  246    H    ARG  28           HN       ARG  28 -24.082   2.640   7.685
  247    HA   ARG  28           HA       ARG  28 -25.636   3.846   5.436
  248   1HB   ARG  28           HB1      ARG  28 -27.272   1.954   6.012
  249   2HB   ARG  28           HB2      ARG  28 -26.009   1.302   7.046
  250   1HG   ARG  28           HG1      ARG  28 -24.534   1.580   4.860
  251   2HG   ARG  28           HG2      ARG  28 -26.099   1.516   4.056
  252   1HD   ARG  28           HD1      ARG  28 -26.567  -0.589   5.452
  253   2HD   ARG  28           HD2      ARG  28 -24.853  -0.576   5.861
  254    HE   ARG  28           HE       ARG  28 -24.674  -0.486   3.185
  255   1HH1  ARG  28          HH11      ARG  28 -27.416  -1.277   2.689
  256   2HH1  ARG  28          HH12      ARG  28 -27.363  -3.009   2.705
  257   1HH2  ARG  28          HH21      ARG  28 -24.262  -3.100   4.337
  258   2HH2  ARG  28          HH22      ARG  28 -25.530  -4.068   3.662
  259    HA   PRO  29           HA       PRO  29 -27.115   5.856   9.339
  260   1HB   PRO  29           HB1      PRO  29 -26.598   8.061   8.949
  261   2HB   PRO  29           HB2      PRO  29 -27.875   8.159   7.738
  262   1HG   PRO  29           HG1      PRO  29 -24.996   8.020   7.307
  263   2HG   PRO  29           HG2      PRO  29 -26.267   8.240   6.103
  264   1HD   PRO  29           HD1      PRO  29 -26.092   6.066   5.444
  265   2HD   PRO  29           HD2      PRO  29 -24.698   5.893   6.522
  266    OH   TYR  30           OH       TYR  30 -29.713  10.741   3.076
  267    H    TYR  30           HN       TYR  30 -28.588   5.676   6.138
  268    HA   TYR  30           HA       TYR  30 -31.272   6.289   7.047
  269   1HB   TYR  30           HB1      TYR  30 -31.905   5.281   4.793
  270   2HB   TYR  30           HB2      TYR  30 -30.220   4.819   4.578
  271    HD1  TYR  30           HD1      TYR  30 -32.336   7.815   5.325
  272    HD2  TYR  30           HD2      TYR  30 -28.733   6.354   3.601
  273    HE1  TYR  30           HE1      TYR  30 -31.835  10.057   4.469
  274    HE2  TYR  30           HE2      TYR  30 -28.231   8.596   2.748
  275    HH   TYR  30           HH       TYR  30 -28.766  10.877   3.142
  276    H    HIS  31           HN       HIS  31 -32.471   5.025   8.325
  277    HA   HIS  31           HA       HIS  31 -32.208   2.047   8.043
  278   1HB   HIS  31           HB1      HIS  31 -32.577   1.884  10.497
  279   2HB   HIS  31           HB2      HIS  31 -32.717   3.635  10.606
  280    HD1  HIS  31           HD1      HIS  31 -30.157   1.144   9.612
  281    HD2  HIS  31           HD2      HIS  31 -30.348   4.944  11.009
  282    HE1  HIS  31           HE1      HIS  31 -27.850   1.768  10.037
  283    H    CYS  32           HN       CYS  32 -34.094   0.885   7.929
  284    HA   CYS  32           HA       CYS  32 -36.527   2.317   7.367
  285   1HB   CYS  32           HB1      CYS  32 -35.859  -0.586   7.942
  286   2HB   CYS  32           HB2      CYS  32 -36.334   0.127   6.423
  287    H    THR  33           HN       THR  33 -38.230   2.843   8.645
  288    HA   THR  33           HA       THR  33 -37.832   3.046  11.472
  289    HB   THR  33           HB       THR  33 -40.510   3.125   9.954
  290    HG1  THR  33           HG1      THR  33 -39.743   5.467  10.112
  291   1HG2  THR  33          HG21      THR  33 -41.284   4.384  11.810
  292   2HG2  THR  33          HG22      THR  33 -39.673   4.985  12.186
  293   3HG2  THR  33          HG23      THR  33 -40.135   3.355  12.660
  294    OH   TYR  34           OH       TYR  34 -44.674   2.564   8.765
  295    H    TYR  34           HN       TYR  34 -39.074   0.524   9.486
  296    HA   TYR  34           HA       TYR  34 -40.249  -0.861  11.838
  297   1HB   TYR  34           HB1      TYR  34 -41.289  -2.350  10.194
  298   2HB   TYR  34           HB2      TYR  34 -40.277  -1.714   8.906
  299    HD1  TYR  34           HD2      TYR  34 -40.494   0.870   8.437
  300    HD2  TYR  34           HD1      TYR  34 -43.402  -1.386  10.574
  301    HE1  TYR  34           HE2      TYR  34 -42.163   2.602   7.993
  302    HE2  TYR  34           HE1      TYR  34 -45.077   0.346  10.109
  303    HH   TYR  34           HH       TYR  34 -44.239   3.418   8.812
  304    H    CYS  35           HN       CYS  35 -38.533  -2.151   9.001
  305    HA   CYS  35           HA       CYS  35 -37.393  -4.349  10.392
  306   1HB   CYS  35           HB1      CYS  35 -35.925  -4.592   8.478
  307   2HB   CYS  35           HB2      CYS  35 -36.078  -2.911   8.066
  308    H    ASN  36           HN       ASN  36 -34.731  -4.321   9.786
  309    HA   ASN  36           HA       ASN  36 -33.618  -2.178  11.546
  310   1HB   ASN  36           HB1      ASN  36 -32.920  -5.161  11.434
  311   2HB   ASN  36           HB2      ASN  36 -33.692  -4.332  12.782
  312   1HD2  ASN  36          HD21      ASN  36 -32.366  -2.736  13.986
  313   2HD2  ASN  36          HD22      ASN  36 -30.672  -2.833  13.945
  314    H    PHE  37           HN       PHE  37 -33.760  -3.362   8.540
  315    HA   PHE  37           HA       PHE  37 -30.990  -3.513   7.772
  316   1HB   PHE  37           HB1      PHE  37 -33.227  -2.644   5.913
  317   2HB   PHE  37           HB2      PHE  37 -33.176  -4.300   6.511
  318    HD1  PHE  37           HD2      PHE  37 -31.030  -5.652   6.125
  319    HD2  PHE  37           HD1      PHE  37 -31.792  -1.958   4.145
  320    HE1  PHE  37           HE2      PHE  37 -29.333  -6.203   4.437
  321    HE2  PHE  37           HE1      PHE  37 -30.094  -2.515   2.460
  322    HZ   PHE  37           HZ       PHE  37 -28.865  -4.635   2.606
  323    H    SER  38           HN       SER  38 -29.905  -1.971   6.353
  324    HA   SER  38           HA       SER  38 -30.863   0.810   6.633
  325   1HB   SER  38           HB1      SER  38 -27.976   0.116   7.258
  326   2HB   SER  38           HB2      SER  38 -29.206   0.071   8.529
  327    HG   SER  38           HG1      SER  38 -29.760   2.183   8.027
  328    H    PHE  39           HN       PHE  39 -30.102   2.234   5.096
  329    HA   PHE  39           HA       PHE  39 -28.572   0.982   2.848
  330   1HB   PHE  39           HB1      PHE  39 -30.027   2.092   1.328
  331   2HB   PHE  39           HB2      PHE  39 -30.539   3.263   2.542
  332    HD1  PHE  39           HD2      PHE  39 -31.948   2.432   4.506
  333    HD2  PHE  39           HD1      PHE  39 -31.229   0.041   1.055
  334    HE1  PHE  39           HE2      PHE  39 -33.877   1.022   5.076
  335    HE2  PHE  39           HE1      PHE  39 -33.162  -1.361   1.628
  336    HZ   PHE  39           HZ       PHE  39 -34.488  -0.869   3.637
  337    H    LYS  40           HN       LYS  40 -27.308   2.445   1.564
  338    HA   LYS  40           HA       LYS  40 -25.989   4.478   3.219
  339   1HB   LYS  40           HB1      LYS  40 -25.474   3.259   0.469
  340   2HB   LYS  40           HB2      LYS  40 -24.574   2.973   1.941
  341   1HG   LYS  40           HG1      LYS  40 -24.642   5.603   0.409
  342   2HG   LYS  40           HG2      LYS  40 -23.312   4.463   0.438
  343   1HD   LYS  40           HD1      LYS  40 -23.245   4.746   2.957
  344   2HD   LYS  40           HD2      LYS  40 -24.370   6.083   2.766
  345   1HE   LYS  40           HE1      LYS  40 -21.638   5.861   1.464
  346   2HE   LYS  40           HE2      LYS  40 -22.054   6.919   2.805
  347   1HZ   LYS  40           HZ1      LYS  40 -23.809   7.848   1.245
  348   2HZ   LYS  40           HZ2      LYS  40 -22.959   7.066   0.000
  349   3HZ   LYS  40           HZ3      LYS  40 -22.191   8.259   0.933
  350    H    THR  41           HN       THR  41 -28.388   4.362   0.786
  351    HA   THR  41           HA       THR  41 -28.189   7.336   0.498
  352    HB   THR  41           HB       THR  41 -28.642   7.154  -1.878
  353    HG1  THR  41           HG1      THR  41 -29.575   5.312  -2.653
  354   1HG2  THR  41          HG21      THR  41 -27.126   4.547  -1.300
  355   2HG2  THR  41          HG22      THR  41 -26.333   6.113  -1.165
  356   3HG2  THR  41          HG23      THR  41 -26.959   5.575  -2.720
  357    H    LYS  42           HN       LYS  42 -30.147   8.412   0.046
  358    HA   LYS  42           HA       LYS  42 -32.370   7.327   1.522
  359   1HB   LYS  42           HB1      LYS  42 -32.382   9.765  -0.304
  360   2HB   LYS  42           HB2      LYS  42 -31.675   9.809   1.305
  361   1HG   LYS  42           HG1      LYS  42 -33.770   9.358   2.353
  362   2HG   LYS  42           HG2      LYS  42 -34.509   8.858   0.837
  363   1HD   LYS  42           HD1      LYS  42 -33.385  11.607   0.883
  364   2HD   LYS  42           HD2      LYS  42 -34.812  11.346   1.879
  365   1HE   LYS  42           HE1      LYS  42 -35.249  12.038  -0.550
  366   2HE   LYS  42           HE2      LYS  42 -36.103  10.606   0.009
  367   1HZ   LYS  42           HZ1      LYS  42 -35.120  10.259  -2.161
  368   2HZ   LYS  42           HZ2      LYS  42 -34.409   9.230  -1.012
  369   3HZ   LYS  42           HZ3      LYS  42 -33.577  10.612  -1.546
  370    H    GLY  43           HN       GLY  43 -31.396   7.400  -1.781
  371   1HA   GLY  43           HA1      GLY  43 -32.398   6.474  -3.695
  372   2HA   GLY  43           HA2      GLY  43 -33.901   7.171  -3.094
  373    H    ASN  44           HN       ASN  44 -31.732   4.565  -2.019
  374    HA   ASN  44           HA       ASN  44 -33.478   2.436  -2.598
  375   1HB   ASN  44           HB1      ASN  44 -32.131   1.270  -0.707
  376   2HB   ASN  44           HB2      ASN  44 -31.291   2.805  -0.512
  377   1HD2  ASN  44          HD21      ASN  44 -29.256   1.982  -1.317
  378   2HD2  ASN  44          HD22      ASN  44 -29.036   1.570  -2.949
  379    H    LEU  45           HN       LEU  45 -33.327   4.589   0.166
  380    HA   LEU  45           HA       LEU  45 -34.956   3.126   1.963
  381   1HB   LEU  45           HB1      LEU  45 -35.147   6.142   1.616
  382   2HB   LEU  45           HB2      LEU  45 -33.662   5.428   2.216
  383    HG   LEU  45           HG       LEU  45 -35.174   6.152   4.065
  384   1HD1  LEU  45          HD11      LEU  45 -37.326   5.207   4.415
  385   2HD1  LEU  45          HD12      LEU  45 -37.069   3.935   3.231
  386   3HD1  LEU  45          HD13      LEU  45 -37.290   5.597   2.701
  387   1HD2  LEU  45          HD21      LEU  45 -34.596   4.366   5.399
  388   2HD2  LEU  45          HD22      LEU  45 -33.671   3.913   3.976
  389   3HD2  LEU  45          HD23      LEU  45 -35.230   3.169   4.280
  390    H    THR  46           HN       THR  46 -35.961   5.790  -0.188
  391    HA   THR  46           HA       THR  46 -38.734   5.471   0.156
  392    HB   THR  46           HB       THR  46 -37.306   6.231  -2.465
  393    HG1  THR  46           HG1      THR  46 -37.848   8.349  -1.229
  394   1HG2  THR  46          HG21      THR  46 -39.882   6.039  -2.475
  395   2HG2  THR  46          HG22      THR  46 -39.303   7.678  -2.761
  396   3HG2  THR  46          HG23      THR  46 -39.911   7.223  -1.172
  397    H    LYS  47           HN       LYS  47 -36.479   3.699  -1.845
  398    HA   LYS  47           HA       LYS  47 -38.455   2.321  -3.420
  399   1HB   LYS  47           HB1      LYS  47 -35.747   1.171  -2.649
  400   2HB   LYS  47           HB2      LYS  47 -35.860   2.530  -3.763
  401   1HG   LYS  47           HG1      LYS  47 -37.640   0.186  -4.276
  402   2HG   LYS  47           HG2      LYS  47 -35.927  -0.011  -4.626
  403   1HD   LYS  47           HD1      LYS  47 -35.941   1.905  -6.111
  404   2HD   LYS  47           HD2      LYS  47 -37.584   2.321  -5.634
  405   1HE   LYS  47           HE1      LYS  47 -37.212   0.991  -7.861
  406   2HE   LYS  47           HE2      LYS  47 -38.517   0.502  -6.788
  407   1HZ   LYS  47           HZ1      LYS  47 -37.162  -1.364  -7.569
  408   2HZ   LYS  47           HZ2      LYS  47 -37.139  -1.211  -5.878
  409   3HZ   LYS  47           HZ3      LYS  47 -35.805  -0.697  -6.795
  410    H    HIS  48           HN       HIS  48 -36.708   1.443  -0.448
  411    HA   HIS  48           HA       HIS  48 -37.858  -1.158  -0.189
  412   1HB   HIS  48           HB1      HIS  48 -36.800   0.823   1.887
  413   2HB   HIS  48           HB2      HIS  48 -35.930  -0.536   1.181
  414    HD1  HIS  48           HD1      HIS  48 -37.625  -2.824   1.615
  415    HD2  HIS  48           HD2      HIS  48 -37.588   0.139   4.430
  416    HE1  HIS  48           HE1      HIS  48 -38.444  -3.871   3.669
  417    H    MET  49           HN       MET  49 -38.936   2.013   0.937
  418    HA   MET  49           HA       MET  49 -41.232   0.886   2.343
  419   1HB   MET  49           HB1      MET  49 -41.905   3.437   2.272
  420   2HB   MET  49           HB2      MET  49 -40.290   3.681   1.616
  421   1HG   MET  49           HG1      MET  49 -39.392   2.385   3.577
  422   2HG   MET  49           HG2      MET  49 -41.004   2.370   4.243
  423   1HE   MET  49           HE1      MET  49 -38.269   3.788   6.026
  424   2HE   MET  49           HE2      MET  49 -39.698   2.763   6.134
  425   3HE   MET  49           HE3      MET  49 -39.703   4.361   6.875
  426    H    LYS  50           HN       LYS  50 -40.515   1.724  -0.885
  427    HA   LYS  50           HA       LYS  50 -43.111   2.501  -1.793
  428   1HB   LYS  50           HB1      LYS  50 -41.040   0.891  -3.357
  429   2HB   LYS  50           HB2      LYS  50 -40.893   2.623  -3.086
  430   1HG   LYS  50           HG1      LYS  50 -43.000   3.035  -4.238
  431   2HG   LYS  50           HG2      LYS  50 -43.300   1.307  -4.385
  432   1HD   LYS  50           HD1      LYS  50 -41.391   1.034  -5.855
  433   2HD   LYS  50           HD2      LYS  50 -40.882   2.696  -5.579
  434   1HE   LYS  50           HE1      LYS  50 -43.552   1.940  -6.803
  435   2HE   LYS  50           HE2      LYS  50 -42.127   2.346  -7.751
  436   1HZ   LYS  50           HZ1      LYS  50 -43.980   4.075  -6.565
  437   2HZ   LYS  50           HZ2      LYS  50 -42.625   4.465  -7.513
  438   3HZ   LYS  50           HZ3      LYS  50 -42.473   4.334  -5.827
  439    H    SER  51           HN       SER  51 -41.569  -0.663  -1.451
  440    HA   SER  51           HA       SER  51 -43.547  -2.236  -2.712
  441   1HB   SER  51           HB1      SER  51 -41.910  -2.911  -0.203
  442   2HB   SER  51           HB2      SER  51 -41.367  -3.156  -1.875
  443    HG   SER  51           HG1      SER  51 -43.489  -4.382  -0.481
  444    H    LYS  52           HN       LYS  52 -44.893  -3.877  -1.304
  445    HA   LYS  52           HA       LYS  52 -46.716  -2.168   0.281
  446   1HB   LYS  52           HB1      LYS  52 -48.015  -3.480  -1.164
  447   2HB   LYS  52           HB2      LYS  52 -47.985  -4.546   0.236
  448   1HG   LYS  52           HG1      LYS  52 -45.904  -5.617  -0.764
  449   2HG   LYS  52           HG2      LYS  52 -46.224  -4.693  -2.226
  450   1HD   LYS  52           HD1      LYS  52 -48.528  -5.709  -2.288
  451   2HD   LYS  52           HD2      LYS  52 -48.066  -6.729  -0.930
  452   1HE   LYS  52           HE1      LYS  52 -46.958  -6.728  -3.738
  453   2HE   LYS  52           HE2      LYS  52 -47.623  -8.077  -2.826
  454   1HZ   LYS  52           HZ1      LYS  52 -44.987  -6.807  -2.609
  455   2HZ   LYS  52           HZ2      LYS  52 -45.392  -8.456  -2.657
  456   3HZ   LYS  52           HZ3      LYS  52 -45.658  -7.558  -1.241
  457    H    ALA  53           HN       ALA  53 -44.041  -3.834   0.996
  458    HA   ALA  53           HA       ALA  53 -44.516  -5.649   3.024
  459   1HB   ALA  53           HB1      ALA  53 -42.437  -4.651   4.139
  460   2HB   ALA  53           HB2      ALA  53 -42.510  -3.343   2.962
  461   3HB   ALA  53           HB3      ALA  53 -42.230  -4.996   2.425
  462    H    HIS  54           HN       HIS  54 -43.511  -2.540   4.267
  463    HA   HIS  54           HA       HIS  54 -46.047  -2.313   5.801
  464   1HB   HIS  54           HB1      HIS  54 -44.788  -3.382   7.471
  465   2HB   HIS  54           HB2      HIS  54 -44.359  -1.707   7.791
  466    HD1  HIS  54           HD1      HIS  54 -42.908  -4.830   6.626
  467    HD2  HIS  54           HD2      HIS  54 -41.722  -0.923   6.837
  468    HE1  HIS  54           HE1      HIS  54 -40.473  -4.870   6.368
  469    H    SER  55           HN       SER  55 -46.196  -0.582   4.162
  470    HA   SER  55           HA       SER  55 -45.621   1.949   5.360
  471   1HB   SER  55           HB1      SER  55 -43.831   1.045   3.042
  472   2HB   SER  55           HB2      SER  55 -43.314   1.644   4.630
  473    HG   SER  55           HG1      SER  55 -43.783   3.629   4.051
  474    H    LYS  56           HN       LYS  56 -47.667   2.555   4.862
  475    HA   LYS  56           HA       LYS  56 -49.139   2.022   2.554
  476   1HB   LYS  56           HB1      LYS  56 -50.294   4.257   3.070
  477   2HB   LYS  56           HB2      LYS  56 -49.067   4.523   4.303
  478   1HG   LYS  56           HG1      LYS  56 -50.482   3.397   5.684
  479   2HG   LYS  56           HG2      LYS  56 -49.897   1.954   4.865
  480   1HD   LYS  56           HD1      LYS  56 -51.728   2.165   3.202
  481   2HD   LYS  56           HD2      LYS  56 -52.321   3.591   4.046
  482   1HE   LYS  56           HE1      LYS  56 -53.539   1.496   4.694
  483   2HE   LYS  56           HE2      LYS  56 -52.752   2.281   6.057
  484   1HZ   LYS  56           HZ1      LYS  56 -50.922   0.743   5.867
  485   2HZ   LYS  56           HZ2      LYS  56 -51.641   0.002   4.519
  486   3HZ   LYS  56           HZ3      LYS  56 -52.382  -0.105   6.044
  487    H    LYS  57           HN       LYS  57 -47.812   5.270   3.032
  488    HA   LYS  57           HA       LYS  57 -47.787   5.831   0.244
  489   1HB   LYS  57           HB1      LYS  57 -46.076   7.148   2.402
  490   2HB   LYS  57           HB2      LYS  57 -47.777   7.528   2.153
  491   1HG   LYS  57           HG1      LYS  57 -47.176   8.033  -0.281
  492   2HG   LYS  57           HG2      LYS  57 -45.488   7.932   0.205
  493   1HD   LYS  57           HD1      LYS  57 -45.760   9.757   1.774
  494   2HD   LYS  57           HD2      LYS  57 -47.505   9.763   1.544
  495   1HE   LYS  57           HE1      LYS  57 -45.457  10.365  -0.615
  496   2HE   LYS  57           HE2      LYS  57 -46.408  11.571   0.242
  497   1HZ   LYS  57           HZ1      LYS  57 -47.929  11.293  -1.319
  498   2HZ   LYS  57           HZ2      LYS  57 -48.235   9.750  -0.676
  499   3HZ   LYS  57                 LYS  57 -47.140   9.932  -1.961
   
  Start of MODEL          38
 Raw file had 499 H/Q atoms
  Start of MODEL   38
    1   1H    LYS   1           HT1      LYS   1  -9.951 -11.318  -7.622
    2   2H    LYS   1           HT2      LYS   1 -10.235  -9.796  -6.921
    3   3H    LYS   1           HT3      LYS   1 -10.580 -10.053  -8.565
    4    HA   LYS   1           HA       LYS   1 -12.490 -11.163  -8.179
    5   1HB   LYS   1           HB1      LYS   1 -11.606 -12.994  -6.851
    6   2HB   LYS   1           HB2      LYS   1 -12.878 -12.269  -5.874
    7   1HG   LYS   1           HG1      LYS   1 -10.863 -10.764  -4.990
    8   2HG   LYS   1           HG2      LYS   1  -9.903 -12.141  -5.516
    9   1HD   LYS   1           HD1      LYS   1 -11.309 -13.647  -4.144
   10   2HD   LYS   1           HD2      LYS   1 -12.269 -12.270  -3.616
   11   1HE   LYS   1           HE1      LYS   1 -10.170 -11.234  -2.698
   12   2HE   LYS   1           HE2      LYS   1  -9.312 -12.716  -3.103
   13   1HZ   LYS   1           HZ1      LYS   1 -10.382 -12.325  -0.751
   14   2HZ   LYS   1           HZ2      LYS   1 -10.318 -13.868  -1.458
   15   3HZ   LYS   1           HZ3      LYS   1 -11.753 -12.963  -1.525
   16    OH   TYR   2           OH       TYR   2  -7.262  -6.354  -5.735
   17    H    TYR   2           HN       TYR   2 -12.373  -8.563  -8.126
   18    HA   TYR   2           HA       TYR   2 -13.423  -7.576  -5.532
   19   1HB   TYR   2           HB1      TYR   2 -13.242  -5.353  -6.581
   20   2HB   TYR   2           HB2      TYR   2 -12.891  -6.084  -8.145
   21    HD1  TYR   2           HD2      TYR   2 -11.616  -5.716  -4.675
   22    HD2  TYR   2           HD1      TYR   2 -10.671  -6.790  -8.679
   23    HE1  TYR   2           HE2      TYR   2  -9.235  -5.762  -4.101
   24    HE2  TYR   2           HE1      TYR   2  -8.291  -6.861  -8.099
   25    HH   TYR   2           HH       TYR   2  -6.953  -5.448  -5.652
   26    H    ILE   3           HN       ILE   3 -15.286  -9.130  -6.089
   27    HA   ILE   3           HA       ILE   3 -17.420  -7.491  -7.378
   28    HB   ILE   3           HB       ILE   3 -17.280 -10.530  -7.568
   29   1HG1  ILE   3          HG11      ILE   3 -15.265  -9.679  -8.651
   30   2HG1  ILE   3          HG12      ILE   3 -16.201  -8.475  -9.529
   31   1HG2  ILE   3          HG21      ILE   3 -18.982 -10.236  -9.242
   32   2HG2  ILE   3          HG22      ILE   3 -18.593  -8.534  -9.462
   33   3HG2  ILE   3          HG23      ILE   3 -19.419  -9.065  -8.000
   34   1HD1  ILE   3           HD1      ILE   3 -17.272 -10.116 -10.868
   35   2HD1  ILE   3           HD2      ILE   3 -16.837 -11.421  -9.769
   36   3HD1  ILE   3           HD3      ILE   3 -15.603 -10.671 -10.777
   37    H    CYS   4           HN       CYS   4 -18.662  -6.938  -5.663
   38    HA   CYS   4           HA       CYS   4 -18.805  -8.459  -3.271
   39   1HB   CYS   4           HB1      CYS   4 -20.797  -6.508  -4.461
   40   2HB   CYS   4           HB2      CYS   4 -19.532  -6.125  -3.326
   41    H    GLU   5           HN       GLU   5 -19.406 -10.493  -3.243
   42    HA   GLU   5           HA       GLU   5 -21.161 -11.747  -5.063
   43   1HB   GLU   5           HB1      GLU   5 -21.393 -13.443  -3.057
   44   2HB   GLU   5           HB2      GLU   5 -20.223 -12.404  -2.253
   45   1HG   GLU   5           HG1      GLU   5 -18.814 -12.640  -4.418
   46   2HG   GLU   5           HG2      GLU   5 -19.876 -13.993  -4.802
   47    H    GLU   6           HN       GLU   6 -21.863  -9.736  -2.356
   48    HA   GLU   6           HA       GLU   6 -24.542 -10.771  -1.966
   49   1HB   GLU   6           HB1      GLU   6 -23.606  -8.044  -1.057
   50   2HB   GLU   6           HB2      GLU   6 -22.970  -9.485  -0.278
   51   1HG   GLU   6           HG1      GLU   6 -25.945  -9.063  -0.629
   52   2HG   GLU   6           HG2      GLU   6 -25.082  -8.426   0.768
   53    H    CYS   7           HN       CYS   7 -23.408  -7.525  -2.934
   54    HA   CYS   7           HA       CYS   7 -25.994  -7.019  -4.219
   55   1HB   CYS   7           HB1      CYS   7 -25.112  -4.833  -4.691
   56   2HB   CYS   7           HB2      CYS   7 -23.468  -5.375  -4.524
   57    H    GLY   8           HN       GLY   8 -22.620  -7.120  -5.321
   58   1HA   GLY   8           HA1      GLY   8 -23.612  -7.942  -8.024
   59   2HA   GLY   8           HA2      GLY   8 -22.121  -8.556  -7.318
   60    H    ILE   9           HN       ILE   9 -21.786  -5.682  -6.212
   61    HA   ILE   9           HA       ILE   9 -21.454  -3.947  -8.425
   62    HB   ILE   9           HB       ILE   9 -21.398  -3.428  -5.863
   63   1HG1  ILE   9          HG11      ILE   9 -19.745  -2.195  -8.036
   64   2HG1  ILE   9          HG12      ILE   9 -19.542  -1.594  -6.395
   65   1HG2  ILE   9          HG21      ILE   9 -19.368  -5.065  -5.597
   66   2HG2  ILE   9          HG22      ILE   9 -19.235  -3.514  -4.793
   67   3HG2  ILE   9          HG23      ILE   9 -18.393  -3.784  -6.310
   68   1HD1  ILE   9           HD1      ILE   9 -21.777  -0.879  -6.242
   69   2HD1  ILE   9           HD2      ILE   9 -22.309  -1.958  -7.528
   70   3HD1  ILE   9           HD3      ILE   9 -21.383  -0.513  -7.918
   71    NH1  ARG  10           NH1      ARG  10 -17.565  -5.579 -16.439
   72    NH2  ARG  10           NH2      ARG  10 -18.563  -7.617 -16.167
   73    H    ARG  10           HN       ARG  10 -19.965  -3.828  -9.967
   74    HA   ARG  10           HA       ARG  10 -17.668  -5.707  -9.829
   75   1HB   ARG  10           HB1      ARG  10 -18.785  -4.046 -12.139
   76   2HB   ARG  10           HB2      ARG  10 -19.170  -5.733 -11.835
   77   1HG   ARG  10           HG1      ARG  10 -16.372  -5.660 -11.789
   78   2HG   ARG  10           HG2      ARG  10 -16.798  -4.566 -13.098
   79   1HD   ARG  10           HD1      ARG  10 -17.878  -7.396 -12.812
   80   2HD   ARG  10           HD2      ARG  10 -16.548  -6.937 -13.871
   81    HE   ARG  10           HE       ARG  10 -19.245  -5.692 -14.201
   82   1HH1  ARG  10          HH11      ARG  10 -17.289  -4.702 -16.047
   83   2HH1  ARG  10          HH12      ARG  10 -17.369  -5.783 -17.399
   84   1HH2  ARG  10          HH21      ARG  10 -19.035  -8.268 -15.572
   85   2HH2  ARG  10          HH22      ARG  10 -18.383  -7.854 -17.122
   86    H    ABA  11           HN       ABU  11 -16.316  -4.498  -8.455
   87    HA   ABA  11           HA       ABU  11 -15.288  -1.937  -9.635
   88   1HB   ABA  11           HB1      ABU  11 -14.436  -1.616  -7.202
   89   2HB   ABA  11           HB2      ABU  11 -15.481  -2.959  -6.779
   90   1HG   ABA  11           HG1      ABU  11 -16.617  -0.758  -6.473
   91   2HG   ABA  11           HG2      ABU  11 -17.433  -1.772  -7.659
   92   3HG   ABA  11           HG3      ABU  11 -16.412  -0.443  -8.194
   93    H    LYS  12           HN       LYS  12 -14.017  -3.420 -11.001
   94    HA   LYS  12           HA       LYS  12 -12.133  -5.276 -10.325
   95   1HB   LYS  12           HB1      LYS  12 -10.651  -4.067 -12.119
   96   2HB   LYS  12           HB2      LYS  12 -11.986  -2.926 -12.240
   97   1HG   LYS  12           HG1      LYS  12 -13.456  -5.098 -12.468
   98   2HG   LYS  12           HG2      LYS  12 -11.934  -5.856 -12.923
   99   1HD   LYS  12           HD1      LYS  12 -13.132  -3.391 -14.233
  100   2HD   LYS  12           HD2      LYS  12 -13.133  -5.012 -14.918
  101   1HE   LYS  12           HE1      LYS  12 -10.735  -3.254 -14.340
  102   2HE   LYS  12           HE2      LYS  12 -11.266  -3.860 -15.902
  103   1HZ   LYS  12           HZ1      LYS  12 -10.769  -6.099 -15.178
  104   2HZ   LYS  12           HZ2      LYS  12 -10.274  -5.526 -13.658
  105   3HZ   LYS  12           HZ3      LYS  12  -9.393  -5.111 -15.048
  106    H    LYS  13           HN       LYS  13 -11.958  -1.874  -9.493
  107    HA   LYS  13           HA       LYS  13  -9.175  -2.214  -8.581
  108   1HB   LYS  13           HB1      LYS  13  -9.401   0.268  -8.048
  109   2HB   LYS  13           HB2      LYS  13 -11.057   0.184  -8.637
  110   1HG   LYS  13           HG1      LYS  13 -10.133  -0.746 -10.811
  111   2HG   LYS  13           HG2      LYS  13  -8.523  -0.371 -10.216
  112   1HD   LYS  13           HD1      LYS  13 -10.775   1.656 -10.491
  113   2HD   LYS  13           HD2      LYS  13  -9.482   1.445 -11.664
  114   1HE   LYS  13           HE1      LYS  13  -8.059   1.706  -9.319
  115   2HE   LYS  13           HE2      LYS  13  -9.426   2.770  -9.024
  116   1HZ   LYS  13           HZ1      LYS  13  -7.193   3.351 -10.483
  117   2HZ   LYS  13           HZ2      LYS  13  -8.634   4.247 -10.447
  118   3HZ   LYS  13           HZ3      LYS  13  -8.388   3.082 -11.658
  119    HA   PRO  14           HA       PRO  14 -10.248  -3.010  -4.345
  120   1HB   PRO  14           HB1      PRO  14  -8.106  -3.166  -3.507
  121   2HB   PRO  14           HB2      PRO  14  -8.165  -1.439  -3.151
  122   1HG   PRO  14           HG1      PRO  14  -6.484  -2.682  -5.064
  123   2HG   PRO  14           HG2      PRO  14  -6.788  -0.948  -4.928
  124   1HD   PRO  14           HD1      PRO  14  -7.807  -1.074  -6.979
  125   2HD   PRO  14           HD2      PRO  14  -7.773  -2.846  -6.934
  126    H    SER  15           HN       SER  15  -8.793   0.241  -4.258
  127    HA   SER  15           HA       SER  15 -10.165   1.506  -2.313
  128   1HB   SER  15           HB1      SER  15  -8.608   2.658  -3.946
  129   2HB   SER  15           HB2      SER  15 -10.090   3.604  -3.706
  130    HG   SER  15           HG1      SER  15 -10.945   2.697  -5.557
  131    H    MET  16           HN       MET  16 -11.562   0.974  -5.538
  132    HA   MET  16           HA       MET  16 -14.079   2.194  -4.878
  133   1HB   MET  16           HB1      MET  16 -14.817   0.679  -6.908
  134   2HB   MET  16           HB2      MET  16 -13.107   0.280  -7.024
  135   1HG   MET  16           HG1      MET  16 -12.575   2.693  -7.121
  136   2HG   MET  16           HG2      MET  16 -14.275   3.068  -7.054
  137   1HE   MET  16           HE1      MET  16 -13.156   4.682  -9.009
  138   2HE   MET  16           HE2      MET  16 -14.888   4.362  -8.941
  139   3HE   MET  16           HE3      MET  16 -14.045   4.328 -10.491
  140    H    LEU  17           HN       LEU  17 -13.054  -1.231  -5.022
  141    HA   LEU  17           HA       LEU  17 -15.582  -2.202  -4.026
  142   1HB   LEU  17           HB1      LEU  17 -12.883  -3.614  -3.764
  143   2HB   LEU  17           HB2      LEU  17 -13.691  -3.487  -5.310
  144    HG   LEU  17           HG       LEU  17 -14.065  -5.678  -3.991
  145   1HD1  LEU  17          HD11      LEU  17 -16.001  -3.984  -2.417
  146   2HD1  LEU  17          HD12      LEU  17 -14.440  -4.518  -1.796
  147   3HD1  LEU  17          HD13      LEU  17 -15.672  -5.696  -2.222
  148   1HD2  LEU  17          HD21      LEU  17 -15.524  -5.089  -5.874
  149   2HD2  LEU  17          HD22      LEU  17 -16.524  -4.099  -4.824
  150   3HD2  LEU  17          HD23      LEU  17 -16.461  -5.838  -4.592
  151    H    LYS  18           HN       LYS  18 -12.372  -2.023  -2.499
  152    HA   LYS  18           HA       LYS  18 -12.783  -2.713   0.074
  153   1HB   LYS  18           HB1      LYS  18 -11.328  -0.690   0.731
  154   2HB   LYS  18           HB2      LYS  18 -11.439  -0.171  -0.946
  155   1HG   LYS  18           HG1      LYS  18 -10.473  -2.331  -1.680
  156   2HG   LYS  18           HG2      LYS  18 -10.351  -2.848  -0.004
  157   1HD   LYS  18           HD1      LYS  18  -8.980  -0.404  -1.183
  158   2HD   LYS  18           HD2      LYS  18  -8.189  -1.942  -0.855
  159   1HE   LYS  18           HE1      LYS  18  -7.696  -0.868   1.132
  160   2HE   LYS  18           HE2      LYS  18  -9.268  -1.523   1.575
  161   1HZ   LYS  18           HZ1      LYS  18  -8.481   1.215   1.049
  162   2HZ   LYS  18           HZ2      LYS  18  -9.689   0.604   2.076
  163   3HZ   LYS  18           HZ3      LYS  18  -9.987   0.756   0.411
  164    H    LYS  19           HN       LYS  19 -13.659   0.517  -1.142
  165    HA   LYS  19           HA       LYS  19 -14.901   1.318   1.296
  166   1HB   LYS  19           HB1      LYS  19 -16.161   2.844  -0.594
  167   2HB   LYS  19           HB2      LYS  19 -14.776   2.292  -1.530
  168   1HG   LYS  19           HG1      LYS  19 -14.691   3.722   1.148
  169   2HG   LYS  19           HG2      LYS  19 -14.195   4.385  -0.405
  170   1HD   LYS  19           HD1      LYS  19 -12.666   2.172  -0.407
  171   2HD   LYS  19           HD2      LYS  19 -12.814   2.389   1.334
  172   1HE   LYS  19           HE1      LYS  19 -12.119   4.802   1.004
  173   2HE   LYS  19           HE2      LYS  19 -11.776   4.410  -0.676
  174   1HZ   LYS  19           HZ1      LYS  19 -10.246   2.675   0.135
  175   2HZ   LYS  19           HZ2      LYS  19 -10.502   3.223   1.722
  176   3HZ   LYS  19           HZ3      LYS  19  -9.777   4.246   0.576
  177    H    HIS  20           HN       HIS  20 -16.127  -0.189  -1.651
  178    HA   HIS  20           HA       HIS  20 -18.893  -0.008  -0.975
  179   1HB   HIS  20           HB1      HIS  20 -17.398  -2.101  -2.617
  180   2HB   HIS  20           HB2      HIS  20 -18.151  -0.642  -3.257
  181    HD1  HIS  20           HD1      HIS  20 -20.551  -1.001  -3.872
  182    HD2  HIS  20           HD2      HIS  20 -19.262  -3.931  -1.360
  183    HE1  HIS  20           HE1      HIS  20 -22.453  -2.529  -3.634
  184    H    ILE  21           HN       ILE  21 -16.570  -2.689  -0.490
  185    HA   ILE  21           HA       ILE  21 -18.425  -4.408   0.766
  186    HB   ILE  21           HB       ILE  21 -15.827  -4.723   0.082
  187   1HG1  ILE  21          HG11      ILE  21 -17.296  -6.166   2.321
  188   2HG1  ILE  21          HG12      ILE  21 -15.815  -6.765   1.587
  189   1HG2  ILE  21          HG21      ILE  21 -15.669  -4.563   3.127
  190   2HG2  ILE  21          HG22      ILE  21 -15.231  -3.192   2.127
  191   3HG2  ILE  21          HG23      ILE  21 -14.344  -4.693   1.978
  192   1HD1  ILE  21           HD1      ILE  21 -17.554  -6.108  -0.566
  193   2HD1  ILE  21           HD2      ILE  21 -18.527  -6.983   0.611
  194   3HD1  ILE  21           HD3      ILE  21 -17.064  -7.714  -0.040
  195    NH1  ARG  22           NH1      ARG  22 -11.360  -0.068   3.979
  196    NH2  ARG  22           NH2      ARG  22 -11.104   1.099   5.928
  197    H    ARG  22           HN       ARG  22 -16.732  -1.622   2.006
  198    HA   ARG  22           HA       ARG  22 -17.257  -2.242   4.791
  199   1HB   ARG  22           HB1      ARG  22 -16.904   0.363   4.962
  200   2HB   ARG  22           HB2      ARG  22 -16.502   0.265   3.253
  201   1HG   ARG  22           HG1      ARG  22 -14.784  -1.451   3.760
  202   2HG   ARG  22           HG2      ARG  22 -15.171  -1.321   5.472
  203   1HD   ARG  22           HD1      ARG  22 -14.693   1.237   5.126
  204   2HD   ARG  22           HD2      ARG  22 -13.838   0.703   3.680
  205    HE   ARG  22           HE       ARG  22 -13.156  -0.515   6.316
  206   1HH1  ARG  22          HH11      ARG  22 -11.933  -0.643   3.394
  207   2HH1  ARG  22          HH12      ARG  22 -10.440   0.187   3.682
  208   1HH2  ARG  22          HH21      ARG  22 -11.484   1.397   6.804
  209   2HH2  ARG  22          HH22      ARG  22 -10.179   1.373   5.665
  210    H    THR  23           HN       THR  23 -18.980  -0.415   2.312
  211    HA   THR  23           HA       THR  23 -20.912   0.877   3.835
  212    HB   THR  23           HB       THR  23 -21.671  -0.703   1.320
  213    HG1  THR  23           HG1      THR  23 -19.732   0.231   0.859
  214   1HG2  THR  23          HG21      THR  23 -23.261   0.974   2.642
  215   2HG2  THR  23          HG22      THR  23 -23.079   1.230   0.909
  216   3HG2  THR  23          HG23      THR  23 -22.175   2.226   2.045
  217    H    HIS  24           HN       HIS  24 -20.491  -2.537   3.386
  218    HA   HIS  24           HA       HIS  24 -23.207  -3.163   4.331
  219   1HB   HIS  24           HB1      HIS  24 -22.173  -5.536   4.493
  220   2HB   HIS  24           HB2      HIS  24 -20.695  -4.836   3.843
  221    HD1  HIS  24           HD1      HIS  24 -24.316  -4.932   2.827
  222    HD2  HIS  24           HD2      HIS  24 -20.621  -4.853   1.110
  223    HE1  HIS  24           HE1      HIS  24 -24.708  -5.104   0.395
  224    H    THR  25           HN       THR  25 -21.145  -1.558   5.904
  225    HA   THR  25           HA       THR  25 -20.863  -3.249   8.318
  226    HB   THR  25           HB       THR  25 -19.641  -1.066   9.120
  227    HG1  THR  25           HG1      THR  25 -19.131   0.049   6.965
  228   1HG2  THR  25          HG21      THR  25 -18.840  -2.843   6.831
  229   2HG2  THR  25          HG22      THR  25 -17.951  -2.500   8.313
  230   3HG2  THR  25          HG23      THR  25 -17.934  -1.341   6.986
  231    H    ASP  26           HN       ASP  26 -21.111   0.077   8.831
  232    HA   ASP  26           HA       ASP  26 -23.972  -0.039   9.523
  233   1HB   ASP  26           HB1      ASP  26 -23.300   0.976  11.840
  234   2HB   ASP  26           HB2      ASP  26 -21.686   0.355  11.497
  235    H    VAL  27           HN       VAL  27 -22.172   1.330   7.675
  236    HA   VAL  27           HA       VAL  27 -22.376   4.146   8.575
  237    HB   VAL  27           HB       VAL  27 -20.224   3.408   7.620
  238   1HG1  VAL  27          HG11      VAL  27 -21.109   1.534   6.283
  239   2HG1  VAL  27          HG12      VAL  27 -20.087   2.577   5.305
  240   3HG1  VAL  27          HG13      VAL  27 -21.838   2.675   5.165
  241   1HG2  VAL  27          HG21      VAL  27 -21.632   5.641   6.794
  242   2HG2  VAL  27          HG22      VAL  27 -21.144   4.916   5.266
  243   3HG2  VAL  27          HG23      VAL  27 -19.928   5.349   6.463
  244    NH1  ARG  28           NH2      ARG  28 -26.601  -2.446   5.934
  245    NH2  ARG  28           NH1      ARG  28 -25.570  -2.190   7.957
  246    H    ARG  28           HN       ARG  28 -24.757   2.900   8.076
  247    HA   ARG  28           HA       ARG  28 -25.708   4.160   5.554
  248   1HB   ARG  28           HB1      ARG  28 -27.556   2.390   5.755
  249   2HB   ARG  28           HB2      ARG  28 -26.598   1.671   7.039
  250   1HG   ARG  28           HG1      ARG  28 -24.652   1.709   5.305
  251   2HG   ARG  28           HG2      ARG  28 -25.922   1.924   4.109
  252   1HD   ARG  28           HD1      ARG  28 -25.394  -0.480   4.408
  253   2HD   ARG  28           HD2      ARG  28 -27.042  -0.133   4.931
  254    HE   ARG  28           HE       ARG  28 -25.255   0.109   7.168
  255   1HH1  ARG  28          HH21      ARG  28 -26.878  -2.051   5.058
  256   2HH1  ARG  28          HH22      ARG  28 -26.822  -3.398   6.146
  257   1HH2  ARG  28          HH11      ARG  28 -25.074  -1.604   8.597
  258   2HH2  ARG  28          HH12      ARG  28 -25.774  -3.138   8.202
  259    HA   PRO  29           HA       PRO  29 -27.730   6.312   9.138
  260   1HB   PRO  29           HB1      PRO  29 -26.977   8.464   8.880
  261   2HB   PRO  29           HB2      PRO  29 -27.965   8.659   7.432
  262   1HG   PRO  29           HG1      PRO  29 -25.082   8.259   7.605
  263   2HG   PRO  29           HG2      PRO  29 -26.052   8.591   6.169
  264   1HD   PRO  29           HD1      PRO  29 -25.947   6.411   5.527
  265   2HD   PRO  29           HD2      PRO  29 -24.821   6.110   6.863
  266    OH   TYR  30           OH       TYR  30 -29.241  10.596   3.276
  267    H    TYR  30           HN       TYR  30 -28.937   4.732   6.821
  268    HA   TYR  30           HA       TYR  30 -31.594   6.114   6.877
  269   1HB   TYR  30           HB1      TYR  30 -31.943   5.236   4.524
  270   2HB   TYR  30           HB2      TYR  30 -30.278   4.675   4.519
  271    HD1  TYR  30           HD1      TYR  30 -32.189   7.812   5.292
  272    HD2  TYR  30           HD2      TYR  30 -28.685   6.117   3.574
  273    HE1  TYR  30           HE1      TYR  30 -31.457  10.040   4.574
  274    HE2  TYR  30           HE2      TYR  30 -27.954   8.344   2.864
  275    HH   TYR  30           HH       TYR  30 -29.794  10.871   2.542
  276    H    HIS  31           HN       HIS  31 -31.865   4.610   8.714
  277    HA   HIS  31           HA       HIS  31 -32.154   1.761   7.950
  278   1HB   HIS  31           HB1      HIS  31 -32.499   1.408  10.382
  279   2HB   HIS  31           HB2      HIS  31 -32.553   3.151  10.639
  280    HD1  HIS  31           HD1      HIS  31 -30.260   0.582  10.872
  281    HD2  HIS  31           HD2      HIS  31 -29.983   4.369   9.442
  282    HE1  HIS  31           HE1      HIS  31 -27.886   1.083  10.890
  283    H    CYS  32           HN       CYS  32 -34.076   0.671   7.874
  284    HA   CYS  32           HA       CYS  32 -36.450   2.177   7.343
  285   1HB   CYS  32           HB1      CYS  32 -35.856  -0.743   7.915
  286   2HB   CYS  32           HB2      CYS  32 -36.312  -0.015   6.396
  287    H    THR  33           HN       THR  33 -38.180   2.692   8.618
  288    HA   THR  33           HA       THR  33 -37.760   2.948  11.433
  289    HB   THR  33           HB       THR  33 -40.208   3.196   9.613
  290    HG1  THR  33           HG1      THR  33 -39.854   5.337  10.260
  291   1HG2  THR  33          HG21      THR  33 -39.995   3.331  12.662
  292   2HG2  THR  33          HG22      THR  33 -41.274   2.583  11.710
  293   3HG2  THR  33          HG23      THR  33 -41.159   4.337  11.804
  294    OH   TYR  34           OH       TYR  34 -44.777   2.260   9.302
  295    H    TYR  34           HN       TYR  34 -38.988   0.375   9.502
  296    HA   TYR  34           HA       TYR  34 -40.066  -1.010  11.903
  297   1HB   TYR  34           HB1      TYR  34 -41.106  -2.551  10.284
  298   2HB   TYR  34           HB2      TYR  34 -40.205  -1.821   8.960
  299    HD1  TYR  34           HD2      TYR  34 -40.573   0.741   8.583
  300    HD2  TYR  34           HD1      TYR  34 -43.215  -1.691  10.863
  301    HE1  TYR  34           HE2      TYR  34 -42.341   2.420   8.327
  302    HE2  TYR  34           HE1      TYR  34 -44.981  -0.012  10.608
  303    HH   TYR  34           HH       TYR  34 -44.999   2.313   8.369
  304    H    CYS  35           HN       CYS  35 -38.435  -2.270   9.007
  305    HA   CYS  35           HA       CYS  35 -37.203  -4.428  10.403
  306   1HB   CYS  35           HB1      CYS  35 -35.902  -4.756   8.405
  307   2HB   CYS  35           HB2      CYS  35 -36.020  -3.081   7.960
  308    H    ASN  36           HN       ASN  36 -34.602  -4.500   9.838
  309    HA   ASN  36           HA       ASN  36 -33.450  -2.231  11.417
  310   1HB   ASN  36           HB1      ASN  36 -32.220  -5.006  11.277
  311   2HB   ASN  36           HB2      ASN  36 -33.546  -4.698  12.396
  312   1HD2  ASN  36          HD21      ASN  36 -32.892  -3.970  14.410
  313   2HD2  ASN  36          HD22      ASN  36 -31.436  -3.160  14.736
  314    H    PHE  37           HN       PHE  37 -33.659  -3.510   8.428
  315    HA   PHE  37           HA       PHE  37 -30.867  -3.433   7.614
  316   1HB   PHE  37           HB1      PHE  37 -33.173  -3.044   5.690
  317   2HB   PHE  37           HB2      PHE  37 -33.006  -4.602   6.502
  318    HD1  PHE  37           HD2      PHE  37 -30.747  -5.812   6.316
  319    HD2  PHE  37           HD1      PHE  37 -31.780  -2.494   3.856
  320    HE1  PHE  37           HE2      PHE  37 -28.993  -6.448   4.718
  321    HE2  PHE  37           HE1      PHE  37 -30.026  -3.134   2.260
  322    HZ   PHE  37           HZ       PHE  37 -28.631  -5.110   2.691
  323    H    SER  38           HN       SER  38 -29.955  -1.851   6.178
  324    HA   SER  38           HA       SER  38 -31.400   0.722   6.039
  325   1HB   SER  38           HB1      SER  38 -28.572   0.495   7.162
  326   2HB   SER  38           HB2      SER  38 -30.008   0.706   8.170
  327    HG   SER  38           HG1      SER  38 -28.736   2.615   7.092
  328    H    PHE  39           HN       PHE  39 -30.032   2.357   4.834
  329    HA   PHE  39           HA       PHE  39 -28.414   1.008   2.730
  330   1HB   PHE  39           HB1      PHE  39 -29.702   2.108   1.023
  331   2HB   PHE  39           HB2      PHE  39 -30.451   3.195   2.189
  332    HD1  PHE  39           HD2      PHE  39 -32.044   2.248   3.892
  333    HD2  PHE  39           HD1      PHE  39 -30.634  -0.091   0.630
  334    HE1  PHE  39           HE2      PHE  39 -33.833   0.619   4.295
  335    HE2  PHE  39           HE1      PHE  39 -32.424  -1.728   1.040
  336    HZ   PHE  39           HZ       PHE  39 -34.022  -1.373   2.878
  337    H    LYS  40           HN       LYS  40 -27.053   2.458   1.538
  338    HA   LYS  40           HA       LYS  40 -25.918   4.518   3.284
  339   1HB   LYS  40           HB1      LYS  40 -25.155   3.383   0.567
  340   2HB   LYS  40           HB2      LYS  40 -24.431   2.985   2.102
  341   1HG   LYS  40           HG1      LYS  40 -24.268   5.669   0.699
  342   2HG   LYS  40           HG2      LYS  40 -22.960   4.521   0.913
  343   1HD   LYS  40           HD1      LYS  40 -23.569   4.740   3.463
  344   2HD   LYS  40           HD2      LYS  40 -24.276   6.267   2.962
  345   1HE   LYS  40           HE1      LYS  40 -21.416   5.406   2.941
  346   2HE   LYS  40           HE2      LYS  40 -22.107   6.964   3.374
  347   1HZ   LYS  40           HZ1      LYS  40 -22.744   6.714   0.759
  348   2HZ   LYS  40           HZ2      LYS  40 -21.201   6.009   0.830
  349   3HZ   LYS  40           HZ3      LYS  40 -21.434   7.601   1.375
  350    H    THR  41           HN       THR  41 -28.240   4.418   0.861
  351    HA   THR  41           HA       THR  41 -27.996   7.371   0.518
  352    HB   THR  41           HB       THR  41 -28.362   7.172  -1.876
  353    HG1  THR  41           HG1      THR  41 -29.417   5.466  -2.617
  354   1HG2  THR  41          HG21      THR  41 -26.075   6.142  -0.994
  355   2HG2  THR  41          HG22      THR  41 -26.577   5.678  -2.617
  356   3HG2  THR  41          HG23      THR  41 -26.843   4.579  -1.267
  357    H    LYS  42           HN       LYS  42 -29.928   8.455   0.045
  358    HA   LYS  42           HA       LYS  42 -32.200   7.366   1.432
  359   1HB   LYS  42           HB1      LYS  42 -31.914   9.860  -0.306
  360   2HB   LYS  42           HB2      LYS  42 -31.665   9.795   1.435
  361   1HG   LYS  42           HG1      LYS  42 -34.127   8.733   1.359
  362   2HG   LYS  42           HG2      LYS  42 -34.214   9.681  -0.122
  363   1HD   LYS  42           HD1      LYS  42 -33.466  10.738   2.626
  364   2HD   LYS  42           HD2      LYS  42 -34.987  11.027   1.790
  365   1HE   LYS  42           HE1      LYS  42 -32.231  12.028   1.059
  366   2HE   LYS  42           HE2      LYS  42 -33.695  12.964   1.328
  367   1HZ   LYS  42           HZ1      LYS  42 -33.323  12.870  -0.985
  368   2HZ   LYS  42           HZ2      LYS  42 -34.631  11.836  -0.663
  369   3HZ   LYS  42           HZ3      LYS  42 -33.089  11.188  -0.962
  370    H    GLY  43           HN       GLY  43 -31.128   7.323  -1.825
  371   1HA   GLY  43           HA1      GLY  43 -32.136   6.438  -3.759
  372   2HA   GLY  43           HA2      GLY  43 -33.631   7.177  -3.188
  373    H    ASN  44           HN       ASN  44 -31.511   4.467  -2.292
  374    HA   ASN  44           HA       ASN  44 -33.266   2.374  -2.793
  375   1HB   ASN  44           HB1      ASN  44 -31.998   1.256  -0.792
  376   2HB   ASN  44           HB2      ASN  44 -31.136   2.785  -0.667
  377   1HD2  ASN  44          HD21      ASN  44 -32.241   1.188  -3.676
  378   2HD2  ASN  44          HD22      ASN  44 -30.685   0.985  -4.322
  379    H    LEU  45           HN       LEU  45 -33.074   4.416   0.084
  380    HA   LEU  45           HA       LEU  45 -34.800   3.041   1.798
  381   1HB   LEU  45           HB1      LEU  45 -34.933   6.057   1.374
  382   2HB   LEU  45           HB2      LEU  45 -33.518   5.311   2.096
  383    HG   LEU  45           HG       LEU  45 -35.092   6.136   3.825
  384   1HD1  LEU  45          HD11      LEU  45 -37.144   5.664   2.310
  385   2HD1  LEU  45          HD12      LEU  45 -37.322   5.399   4.038
  386   3HD1  LEU  45          HD13      LEU  45 -37.088   4.034   2.962
  387   1HD2  LEU  45          HD21      LEU  45 -34.776   4.333   5.234
  388   2HD2  LEU  45          HD22      LEU  45 -33.724   3.848   3.915
  389   3HD2  LEU  45          HD23      LEU  45 -35.330   3.155   4.054
  390    H    THR  46           HN       THR  46 -35.770   5.636  -0.452
  391    HA   THR  46           HA       THR  46 -38.545   5.353  -0.155
  392    HB   THR  46           HB       THR  46 -37.039   5.953  -2.778
  393    HG1  THR  46           HG1      THR  46 -37.973   7.997  -1.239
  394   1HG2  THR  46          HG21      THR  46 -39.778   6.742  -1.626
  395   2HG2  THR  46          HG22      THR  46 -39.505   5.833  -3.109
  396   3HG2  THR  46          HG23      THR  46 -39.058   7.535  -3.024
  397    H    LYS  47           HN       LYS  47 -36.275   3.445  -2.010
  398    HA   LYS  47           HA       LYS  47 -38.216   1.995  -3.552
  399   1HB   LYS  47           HB1      LYS  47 -35.638   0.719  -2.616
  400   2HB   LYS  47           HB2      LYS  47 -35.543   2.122  -3.674
  401   1HG   LYS  47           HG1      LYS  47 -36.804   1.020  -5.396
  402   2HG   LYS  47           HG2      LYS  47 -37.268  -0.287  -4.312
  403   1HD   LYS  47           HD1      LYS  47 -34.837  -0.900  -4.105
  404   2HD   LYS  47           HD2      LYS  47 -34.469   0.318  -5.320
  405   1HE   LYS  47           HE1      LYS  47 -35.772  -0.835  -6.987
  406   2HE   LYS  47           HE2      LYS  47 -36.452  -1.926  -5.787
  407   1HZ   LYS  47           HZ1      LYS  47 -34.006  -2.122  -7.215
  408   2HZ   LYS  47           HZ2      LYS  47 -34.803  -3.291  -6.276
  409   3HZ   LYS  47           HZ3      LYS  47 -33.735  -2.194  -5.540
  410    H    HIS  48           HN       HIS  48 -36.562   1.218  -0.490
  411    HA   HIS  48           HA       HIS  48 -37.964  -1.273  -0.135
  412   1HB   HIS  48           HB1      HIS  48 -36.587   0.583   1.876
  413   2HB   HIS  48           HB2      HIS  48 -35.875  -0.826   1.095
  414    HD1  HIS  48           HD1      HIS  48 -37.459  -3.057   1.649
  415    HD2  HIS  48           HD2      HIS  48 -37.573  -0.011   4.374
  416    HE1  HIS  48           HE1      HIS  48 -38.307  -4.062   3.712
  417    H    MET  49           HN       MET  49 -38.835   2.012   0.376
  418    HA   MET  49           HA       MET  49 -41.031   1.285   2.215
  419   1HB   MET  49           HB1      MET  49 -41.511   3.857   1.851
  420   2HB   MET  49           HB2      MET  49 -39.931   3.879   1.078
  421   1HG   MET  49           HG1      MET  49 -39.505   4.398   3.340
  422   2HG   MET  49           HG2      MET  49 -39.032   2.731   3.148
  423   1HE   MET  49           HE1      MET  49 -38.748   3.498   5.502
  424   2HE   MET  49           HE2      MET  49 -39.829   2.859   6.741
  425   3HE   MET  49           HE3      MET  49 -40.018   4.520   6.177
  426    H    LYS  50           HN       LYS  50 -40.461   1.752  -1.132
  427    HA   LYS  50           HA       LYS  50 -43.094   2.537  -1.946
  428   1HB   LYS  50           HB1      LYS  50 -41.176   0.750  -3.511
  429   2HB   LYS  50           HB2      LYS  50 -40.929   2.486  -3.360
  430   1HG   LYS  50           HG1      LYS  50 -42.819   3.002  -4.628
  431   2HG   LYS  50           HG2      LYS  50 -43.615   1.479  -4.254
  432   1HD   LYS  50           HD1      LYS  50 -41.043   1.411  -5.796
  433   2HD   LYS  50           HD2      LYS  50 -42.518   1.870  -6.639
  434   1HE   LYS  50           HE1      LYS  50 -42.568  -0.559  -4.876
  435   2HE   LYS  50           HE2      LYS  50 -41.809  -0.683  -6.458
  436   1HZ   LYS  50           HZ1      LYS  50 -43.790  -0.829  -7.377
  437   2HZ   LYS  50           HZ2      LYS  50 -44.244   0.675  -6.733
  438   3HZ   LYS  50           HZ3      LYS  50 -44.522  -0.746  -5.847
  439    H    SER  51           HN       SER  51 -41.548  -0.649  -1.656
  440    HA   SER  51           HA       SER  51 -43.705  -2.211  -2.568
  441   1HB   SER  51           HB1      SER  51 -42.173  -3.193  -0.163
  442   2HB   SER  51           HB2      SER  51 -41.236  -2.827  -1.625
  443    HG   SER  51           HG1      SER  51 -43.235  -3.979  -2.614
  444    H    LYS  52           HN       LYS  52 -45.349  -3.325  -1.444
  445    HA   LYS  52           HA       LYS  52 -46.596  -1.678   0.617
  446   1HB   LYS  52           HB1      LYS  52 -48.315  -3.656   0.485
  447   2HB   LYS  52           HB2      LYS  52 -47.326  -4.246  -0.843
  448   1HG   LYS  52           HG1      LYS  52 -47.659  -1.516  -1.413
  449   2HG   LYS  52           HG2      LYS  52 -49.227  -2.008  -0.794
  450   1HD   LYS  52           HD1      LYS  52 -49.393  -2.467  -3.097
  451   2HD   LYS  52           HD2      LYS  52 -48.984  -4.037  -2.424
  452   1HE   LYS  52           HE1      LYS  52 -47.479  -3.780  -4.245
  453   2HE   LYS  52           HE2      LYS  52 -46.514  -3.349  -2.839
  454   1HZ   LYS  52           HZ1      LYS  52 -46.233  -1.319  -3.620
  455   2HZ   LYS  52           HZ2      LYS  52 -47.901  -1.090  -3.836
  456   3HZ   LYS  52           HZ3      LYS  52 -46.977  -1.809  -5.066
  457    H    ALA  53           HN       ALA  53 -44.052  -3.320   1.103
  458    HA   ALA  53           HA       ALA  53 -44.464  -5.469   2.831
  459   1HB   ALA  53           HB1      ALA  53 -42.365  -4.616   4.024
  460   2HB   ALA  53           HB2      ALA  53 -42.481  -3.152   3.053
  461   3HB   ALA  53           HB3      ALA  53 -42.198  -4.704   2.273
  462    H    HIS  54           HN       HIS  54 -43.627  -2.365   4.307
  463    HA   HIS  54           HA       HIS  54 -46.054  -2.503   5.982
  464   1HB   HIS  54           HB1      HIS  54 -44.709  -3.632   7.515
  465   2HB   HIS  54           HB2      HIS  54 -44.290  -1.983   7.954
  466    HD1  HIS  54           HD1      HIS  54 -42.864  -4.969   6.432
  467    HD2  HIS  54           HD2      HIS  54 -41.686  -1.097   7.028
  468    HE1  HIS  54           HE1      HIS  54 -40.432  -4.966   6.127
  469    H    SER  55           HN       SER  55 -46.628  -0.600   4.894
  470    HA   SER  55           HA       SER  55 -45.292   1.806   6.022
  471   1HB   SER  55           HB1      SER  55 -45.520   2.889   3.700
  472   2HB   SER  55           HB2      SER  55 -45.900   1.276   3.066
  473    HG   SER  55           HG1      SER  55 -43.891   0.823   4.558
  474    H    LYS  56           HN       LYS  56 -48.111   0.306   4.580
  475    HA   LYS  56           HA       LYS  56 -49.738   2.717   5.183
  476   1HB   LYS  56           HB1      LYS  56 -51.530   1.458   3.963
  477   2HB   LYS  56           HB2      LYS  56 -50.453   0.073   3.824
  478   1HG   LYS  56           HG1      LYS  56 -48.883   2.115   2.844
  479   2HG   LYS  56           HG2      LYS  56 -50.484   2.585   2.284
  480   1HD   LYS  56           HD1      LYS  56 -50.752   0.160   1.485
  481   2HD   LYS  56           HD2      LYS  56 -49.023  -0.014   1.761
  482   1HE   LYS  56           HE1      LYS  56 -50.457   1.500  -0.346
  483   2HE   LYS  56           HE2      LYS  56 -48.873   0.739  -0.397
  484   1HZ   LYS  56           HZ1      LYS  56 -48.653   3.111  -0.520
  485   2HZ   LYS  56           HZ2      LYS  56 -48.017   2.567   0.958
  486   3HZ   LYS  56           HZ3      LYS  56 -49.542   3.314   0.913
  487    H    LYS  57           HN       LYS  57 -51.568  -0.071   5.236
  488    HA   LYS  57           HA       LYS  57 -52.564   0.305   7.827
  489   1HB   LYS  57           HB1      LYS  57 -52.996  -2.361   7.476
  490   2HB   LYS  57           HB2      LYS  57 -52.556  -1.931   5.827
  491   1HG   LYS  57           HG1      LYS  57 -54.265  -0.094   5.904
  492   2HG   LYS  57           HG2      LYS  57 -54.760  -0.673   7.492
  493   1HD   LYS  57           HD1      LYS  57 -55.278  -2.893   6.512
  494   2HD   LYS  57           HD2      LYS  57 -54.804  -2.297   4.925
  495   1HE   LYS  57           HE1      LYS  57 -57.027  -1.123   6.629
  496   2HE   LYS  57           HE2      LYS  57 -57.271  -2.202   5.262
  497   1HZ   LYS  57           HZ1      LYS  57 -55.909   0.426   5.109
  498   2HZ   LYS  57           HZ2      LYS  57 -57.530   0.148   4.688
  499   3HZ   LYS  57                 LYS  57 -56.284  -0.597   3.808
   
  Start of MODEL          39
 Raw file had 499 H/Q atoms
  Start of MODEL   39
    1   1H    LYS   1           HT1      LYS   1 -15.339 -11.703  -9.159
    2   2H    LYS   1           HT2      LYS   1 -13.771 -11.675  -8.506
    3   3H    LYS   1           HT3      LYS   1 -14.050 -12.406 -10.014
    4    HA   LYS   1           HA       LYS   1 -12.998 -10.236 -10.234
    5   1HB   LYS   1           HB1      LYS   1 -14.831  -9.257 -11.765
    6   2HB   LYS   1           HB2      LYS   1 -15.869 -10.571 -11.219
    7   1HG   LYS   1           HG1      LYS   1 -13.809 -12.085 -11.883
    8   2HG   LYS   1           HG2      LYS   1 -13.360 -10.704 -12.876
    9   1HD   LYS   1           HD1      LYS   1 -14.716 -11.838 -14.379
   10   2HD   LYS   1           HD2      LYS   1 -15.927 -10.832 -13.592
   11   1HE   LYS   1           HE1      LYS   1 -16.899 -12.963 -13.452
   12   2HE   LYS   1           HE2      LYS   1 -16.099 -12.826 -11.892
   13   1HZ   LYS   1           HZ1      LYS   1 -15.706 -14.759 -13.841
   14   2HZ   LYS   1           HZ2      LYS   1 -14.868 -14.573 -12.375
   15   3HZ   LYS   1           HZ3      LYS   1 -14.283 -13.834 -13.788
   16    OH   TYR   2           OH       TYR   2 -10.404  -5.850 -10.099
   17    H    TYR   2           HN       TYR   2 -16.365  -9.269  -9.912
   18    HA   TYR   2           HA       TYR   2 -15.766  -7.720  -7.481
   19   1HB   TYR   2           HB1      TYR   2 -16.334  -5.549  -8.558
   20   2HB   TYR   2           HB2      TYR   2 -16.519  -6.364 -10.112
   21    HD1  TYR   2           HD2      TYR   2 -14.051  -5.619  -7.427
   22    HD2  TYR   2           HD1      TYR   2 -14.609  -6.834 -11.464
   23    HE1  TYR   2           HE2      TYR   2 -11.645  -5.378  -7.831
   24    HE2  TYR   2           HE1      TYR   2 -12.200  -6.605 -11.865
   25    HH   TYR   2           HH       TYR   2 -10.268  -5.086 -10.665
   26    H    ILE   3           HN       ILE   3 -17.565  -9.736  -7.742
   27    HA   ILE   3           HA       ILE   3 -20.214  -8.369  -7.932
   28    HB   ILE   3           HB       ILE   3 -19.452 -11.336  -8.013
   29   1HG1  ILE   3          HG11      ILE   3 -19.851  -9.237 -10.067
   30   2HG1  ILE   3          HG12      ILE   3 -20.716 -10.734 -10.384
   31   1HG2  ILE   3          HG21      ILE   3 -22.159  -9.911  -8.317
   32   2HG2  ILE   3          HG22      ILE   3 -21.709 -10.992  -7.003
   33   3HG2  ILE   3          HG23      ILE   3 -21.906 -11.626  -8.629
   34   1HD1  ILE   3           HD1      ILE   3 -17.767 -10.594  -9.684
   35   2HD1  ILE   3           HD2      ILE   3 -18.389 -10.719 -11.327
   36   3HD1  ILE   3           HD3      ILE   3 -18.662 -12.027 -10.180
   37    H    CYS   4           HN       CYS   4 -20.600  -7.559  -5.909
   38    HA   CYS   4           HA       CYS   4 -19.671  -8.537  -3.478
   39   1HB   CYS   4           HB1      CYS   4 -22.295  -7.231  -4.202
   40   2HB   CYS   4           HB2      CYS   4 -20.911  -6.501  -3.441
   41    H    GLU   5           HN       GLU   5 -19.834 -10.402  -2.527
   42    HA   GLU   5           HA       GLU   5 -21.419 -12.552  -3.437
   43   1HB   GLU   5           HB1      GLU   5 -20.889 -13.437  -1.012
   44   2HB   GLU   5           HB2      GLU   5 -19.944 -11.960  -0.859
   45   1HG   GLU   5           HG1      GLU   5 -18.634 -12.563  -2.853
   46   2HG   GLU   5           HG2      GLU   5 -19.609 -14.015  -3.072
   47    H    GLU   6           HN       GLU   6 -22.265  -9.927  -1.368
   48    HA   GLU   6           HA       GLU   6 -24.555 -11.378  -0.263
   49   1HB   GLU   6           HB1      GLU   6 -23.959  -8.423   0.081
   50   2HB   GLU   6           HB2      GLU   6 -23.093  -9.642   1.007
   51   1HG   GLU   6           HG1      GLU   6 -25.262 -10.528   1.840
   52   2HG   GLU   6           HG2      GLU   6 -26.108  -9.270   0.943
   53    H    CYS   7           HN       CYS   7 -24.320  -8.146  -1.723
   54    HA   CYS   7           HA       CYS   7 -27.081  -8.296  -2.614
   55   1HB   CYS   7           HB1      CYS   7 -26.752  -6.091  -3.413
   56   2HB   CYS   7           HB2      CYS   7 -25.052  -6.337  -3.677
   57    H    GLY   8           HN       GLY   8 -23.930  -8.314  -4.252
   58   1HA   GLY   8           HA1      GLY   8 -25.254  -9.657  -6.567
   59   2HA   GLY   8           HA2      GLY   8 -23.544  -9.783  -6.176
   60    H    ILE   9           HN       ILE   9 -23.860  -6.722  -5.571
   61    HA   ILE   9           HA       ILE   9 -24.419  -5.380  -7.972
   62    HB   ILE   9           HB       ILE   9 -23.883  -4.415  -5.619
   63   1HG1  ILE   9          HG11      ILE   9 -24.299  -3.056  -7.670
   64   2HG1  ILE   9          HG12      ILE   9 -22.579  -3.109  -8.034
   65   1HG2  ILE   9          HG21      ILE   9 -21.573  -3.963  -5.114
   66   2HG2  ILE   9          HG22      ILE   9 -21.046  -4.303  -6.751
   67   3HG2  ILE   9          HG23      ILE   9 -21.549  -5.614  -5.692
   68   1HD1  ILE   9           HD1      ILE   9 -23.642  -2.091  -5.387
   69   2HD1  ILE   9           HD2      ILE   9 -23.396  -1.034  -6.772
   70   3HD1  ILE   9           HD3      ILE   9 -22.027  -1.875  -6.054
   71    NH1  ARG  10           NH2      ARG  10 -22.633  -7.925 -16.723
   72    NH2  ARG  10           NH1      ARG  10 -24.262  -8.698 -15.318
   73    H    ARG  10           HN       ARG  10 -23.424  -5.276  -9.878
   74    HA   ARG  10           HA       ARG  10 -20.759  -6.581 -10.118
   75   1HB   ARG  10           HB1      ARG  10 -22.711  -5.716 -12.305
   76   2HB   ARG  10           HB2      ARG  10 -22.724  -7.310 -11.567
   77   1HG   ARG  10           HG1      ARG  10 -20.182  -7.358 -12.227
   78   2HG   ARG  10           HG2      ARG  10 -20.626  -6.069 -13.340
   79   1HD   ARG  10           HD1      ARG  10 -21.964  -8.796 -13.209
   80   2HD   ARG  10           HD2      ARG  10 -20.787  -8.301 -14.424
   81    HE   ARG  10           HE       ARG  10 -22.964  -6.420 -14.343
   82   1HH1  ARG  10          HH21      ARG  10 -21.810  -7.373 -16.858
   83   2HH1  ARG  10          HH22      ARG  10 -23.029  -8.428 -17.491
   84   1HH2  ARG  10          HH11      ARG  10 -24.660  -8.724 -14.401
   85   2HH2  ARG  10          HH12      ARG  10 -24.686  -9.214 -16.063
   86    H    ABA  11           HN       ABU  11 -19.129  -5.195  -9.912
   87    HA   ABA  11           HA       ABU  11 -19.309  -2.579 -11.382
   88   1HB   ABA  11           HB1      ABU  11 -17.832  -1.661  -9.622
   89   2HB   ABA  11           HB2      ABU  11 -17.764  -3.218  -8.829
   90   1HG   ABA  11           HG1      ABU  11 -20.183  -1.424  -9.156
   91   2HG   ABA  11           HG2      ABU  11 -19.424  -1.935  -7.651
   92   3HG   ABA  11           HG3      ABU  11 -20.305  -3.101  -8.633
   93    H    LYS  12           HN       LYS  12 -18.139  -2.838 -13.154
   94    HA   LYS  12           HA       LYS  12 -15.984  -4.653 -13.467
   95   1HB   LYS  12           HB1      LYS  12 -15.554  -3.377 -15.574
   96   2HB   LYS  12           HB2      LYS  12 -16.626  -2.101 -15.010
   97   1HG   LYS  12           HG1      LYS  12 -18.539  -3.539 -15.081
   98   2HG   LYS  12           HG2      LYS  12 -17.540  -4.976 -15.264
   99   1HD   LYS  12           HD1      LYS  12 -16.738  -4.057 -17.470
  100   2HD   LYS  12           HD2      LYS  12 -17.897  -2.745 -17.292
  101   1HE   LYS  12           HE1      LYS  12 -18.396  -5.664 -17.772
  102   2HE   LYS  12           HE2      LYS  12 -19.154  -4.268 -18.528
  103   1HZ   LYS  12           HZ1      LYS  12 -20.188  -3.813 -16.316
  104   2HZ   LYS  12           HZ2      LYS  12 -19.633  -5.336 -15.811
  105   3HZ   LYS  12           HZ3      LYS  12 -20.737  -5.217 -17.096
  106    H    LYS  13           HN       LYS  13 -15.885  -2.249 -11.354
  107    HA   LYS  13           HA       LYS  13 -12.980  -1.865 -11.790
  108   1HB   LYS  13           HB1      LYS  13 -13.458   0.602 -10.963
  109   2HB   LYS  13           HB2      LYS  13 -15.105   0.265 -11.489
  110   1HG   LYS  13           HG1      LYS  13 -14.074  -0.489 -13.720
  111   2HG   LYS  13           HG2      LYS  13 -12.579   0.254 -13.162
  112   1HD   LYS  13           HD1      LYS  13 -15.261   1.645 -13.474
  113   2HD   LYS  13           HD2      LYS  13 -13.854   1.865 -14.508
  114   1HE   LYS  13           HE1      LYS  13 -12.629   2.463 -12.263
  115   2HE   LYS  13           HE2      LYS  13 -14.257   2.737 -11.654
  116   1HZ   LYS  13           HZ1      LYS  13 -13.670   4.788 -12.457
  117   2HZ   LYS  13           HZ2      LYS  13 -14.507   4.138 -13.784
  118   3HZ   LYS  13           HZ3      LYS  13 -12.809   4.160 -13.780
  119    HA   PRO  14           HA       PRO  14 -12.696  -2.640  -7.427
  120   1HB   PRO  14           HB1      PRO  14 -10.390  -2.573  -7.307
  121   2HB   PRO  14           HB2      PRO  14 -10.532  -0.876  -6.848
  122   1HG   PRO  14           HG1      PRO  14  -9.347  -1.834  -9.223
  123   2HG   PRO  14           HG2      PRO  14  -9.830  -0.164  -8.919
  124   1HD   PRO  14           HD1      PRO  14 -11.376  -0.412 -10.597
  125   2HD   PRO  14           HD2      PRO  14 -11.085  -2.161 -10.655
  126    H    SER  15           HN       SER  15 -11.602   0.733  -7.737
  127    HA   SER  15           HA       SER  15 -12.462   1.891  -5.454
  128   1HB   SER  15           HB1      SER  15 -11.585   3.069  -7.602
  129   2HB   SER  15           HB2      SER  15 -12.816   3.979  -6.704
  130    HG   SER  15           HG1      SER  15 -14.389   3.109  -8.060
  131    H    MET  16           HN       MET  16 -14.625   0.924  -8.063
  132    HA   MET  16           HA       MET  16 -16.978   2.012  -6.767
  133   1HB   MET  16           HB1      MET  16 -18.095   0.335  -8.467
  134   2HB   MET  16           HB2      MET  16 -16.453   0.103  -9.063
  135   1HG   MET  16           HG1      MET  16 -17.547   1.853 -10.342
  136   2HG   MET  16           HG2      MET  16 -16.225   2.513  -9.417
  137   1HE   MET  16           HE1      MET  16 -19.778   1.681  -9.547
  138   2HE   MET  16           HE2      MET  16 -20.677   3.074  -8.948
  139   3HE   MET  16           HE3      MET  16 -19.995   1.910  -7.813
  140    H    LEU  17           HN       LEU  17 -15.806  -1.353  -7.240
  141    HA   LEU  17           HA       LEU  17 -17.793  -2.479  -5.508
  142   1HB   LEU  17           HB1      LEU  17 -15.018  -3.656  -5.894
  143   2HB   LEU  17           HB2      LEU  17 -16.147  -3.637  -7.228
  144    HG   LEU  17           HG       LEU  17 -16.228  -5.793  -5.977
  145   1HD1  LEU  17          HD11      LEU  17 -17.411  -4.283  -3.642
  146   2HD1  LEU  17          HD12      LEU  17 -15.691  -4.618  -3.746
  147   3HD1  LEU  17          HD13      LEU  17 -16.847  -5.942  -3.702
  148   1HD2  LEU  17          HD21      LEU  17 -18.869  -4.528  -5.319
  149   2HD2  LEU  17          HD22      LEU  17 -18.518  -6.031  -6.157
  150   3HD2  LEU  17          HD23      LEU  17 -18.342  -4.498  -6.990
  151    H    LYS  18           HN       LYS  18 -14.327  -1.851  -5.013
  152    HA   LYS  18           HA       LYS  18 -13.920  -2.478  -2.407
  153   1HB   LYS  18           HB1      LYS  18 -12.465  -0.374  -2.266
  154   2HB   LYS  18           HB2      LYS  18 -13.132   0.112  -3.820
  155   1HG   LYS  18           HG1      LYS  18 -12.266  -1.901  -4.882
  156   2HG   LYS  18           HG2      LYS  18 -11.717  -2.531  -3.337
  157   1HD   LYS  18           HD1      LYS  18 -10.728   0.059  -4.588
  158   2HD   LYS  18           HD2      LYS  18  -9.874  -1.475  -4.682
  159   1HE   LYS  18           HE1      LYS  18  -8.845  -0.778  -2.771
  160   2HE   LYS  18           HE2      LYS  18 -10.329  -1.278  -1.974
  161   1HZ   LYS  18           HZ1      LYS  18  -9.282   1.351  -2.401
  162   2HZ   LYS  18           HZ2      LYS  18 -10.451   0.813  -1.292
  163   3HZ   LYS  18           HZ3      LYS  18 -10.907   1.211  -2.879
  164    H    LYS  19           HN       LYS  19 -15.278   0.669  -3.397
  165    HA   LYS  19           HA       LYS  19 -15.878   1.507  -0.754
  166   1HB   LYS  19           HB1      LYS  19 -17.556   3.036  -1.995
  167   2HB   LYS  19           HB2      LYS  19 -17.044   2.230  -3.473
  168   1HG   LYS  19           HG1      LYS  19 -14.666   2.852  -2.904
  169   2HG   LYS  19           HG2      LYS  19 -15.288   3.801  -1.560
  170   1HD   LYS  19           HD1      LYS  19 -16.024   4.198  -4.481
  171   2HD   LYS  19           HD2      LYS  19 -14.928   5.220  -3.561
  172   1HE   LYS  19           HE1      LYS  19 -16.909   6.412  -3.307
  173   2HE   LYS  19           HE2      LYS  19 -16.995   5.367  -1.894
  174   1HZ   LYS  19           HZ1      LYS  19 -18.909   5.583  -3.756
  175   2HZ   LYS  19           HZ2      LYS  19 -18.713   4.245  -2.729
  176   3HZ   LYS  19           HZ3      LYS  19 -18.075   4.208  -4.303
  177    H    HIS  20           HN       HIS  20 -17.749  -0.313  -3.132
  178    HA   HIS  20           HA       HIS  20 -20.231  -0.256  -1.727
  179   1HB   HIS  20           HB1      HIS  20 -19.072  -2.383  -3.580
  180   2HB   HIS  20           HB2      HIS  20 -20.090  -1.037  -4.076
  181    HD1  HIS  20           HD1      HIS  20 -22.504  -1.653  -4.048
  182    HD2  HIS  20           HD2      HIS  20 -20.370  -4.191  -1.694
  183    HE1  HIS  20           HE1      HIS  20 -24.108  -3.336  -3.282
  184    H    ILE  21           HN       ILE  21 -17.634  -2.723  -1.711
  185    HA   ILE  21           HA       ILE  21 -18.919  -4.457   0.106
  186    HB   ILE  21           HB       ILE  21 -16.537  -4.600  -1.187
  187   1HG1  ILE  21          HG11      ILE  21 -17.211  -5.959   1.451
  188   2HG1  ILE  21          HG12      ILE  21 -15.938  -6.493   0.364
  189   1HG2  ILE  21          HG21      ILE  21 -14.653  -4.269   0.281
  190   2HG2  ILE  21          HG22      ILE  21 -15.675  -4.140   1.706
  191   3HG2  ILE  21          HG23      ILE  21 -15.631  -2.843   0.531
  192   1HD1  ILE  21           HD1      ILE  21 -17.507  -7.716  -0.718
  193   2HD1  ILE  21           HD2      ILE  21 -18.204  -6.203  -1.282
  194   3HD1  ILE  21           HD3      ILE  21 -18.807  -6.953   0.192
  195    NH1  ARG  22           NH2      ARG  22 -12.283  -0.860   2.982
  196    NH2  ARG  22           NH1      ARG  22 -11.376  -0.511   0.915
  197    H    ARG  22           HN       ARG  22 -17.239  -1.440   0.664
  198    HA   ARG  22           HA       ARG  22 -17.084  -1.813   3.552
  199   1HB   ARG  22           HB1      ARG  22 -16.709   0.723   3.501
  200   2HB   ARG  22           HB2      ARG  22 -16.955   0.662   1.762
  201   1HG   ARG  22           HG1      ARG  22 -15.045  -0.771   1.456
  202   2HG   ARG  22           HG2      ARG  22 -14.900  -1.050   3.187
  203   1HD   ARG  22           HD1      ARG  22 -13.906   0.995   3.568
  204   2HD   ARG  22           HD2      ARG  22 -14.813   1.791   2.283
  205    HE   ARG  22           HE       ARG  22 -12.983   1.349   0.875
  206   1HH1  ARG  22          HH21      ARG  22 -12.962  -0.611   3.673
  207   2HH1  ARG  22          HH22      ARG  22 -11.634  -1.599   3.163
  208   1HH2  ARG  22          HH11      ARG  22 -11.376   0.000   0.055
  209   2HH2  ARG  22          HH12      ARG  22 -10.712  -1.244   1.061
  210    H    THR  23           HN       THR  23 -19.472  -0.522   1.333
  211    HA   THR  23           HA       THR  23 -21.085   0.930   3.120
  212    HB   THR  23           HB       THR  23 -22.319  -0.986   1.074
  213    HG1  THR  23           HG1      THR  23 -21.630   1.211  -0.111
  214   1HG2  THR  23          HG21      THR  23 -22.797   1.972   1.109
  215   2HG2  THR  23          HG22      THR  23 -23.354   1.142   2.561
  216   3HG2  THR  23          HG23      THR  23 -23.980   0.673   0.982
  217    H    HIS  24           HN       HIS  24 -20.460  -2.466   2.993
  218    HA   HIS  24           HA       HIS  24 -22.837  -3.159   4.588
  219   1HB   HIS  24           HB1      HIS  24 -21.549  -5.418   4.735
  220   2HB   HIS  24           HB2      HIS  24 -20.362  -4.688   3.659
  221    HD1  HIS  24           HD1      HIS  24 -24.045  -5.411   3.642
  222    HD2  HIS  24           HD2      HIS  24 -21.002  -4.807   0.994
  223    HE1  HIS  24           HE1      HIS  24 -24.995  -5.897   1.413
  224    H    THR  25           HN       THR  25 -20.621  -1.255   5.483
  225    HA   THR  25           HA       THR  25 -19.575  -2.660   7.858
  226    HB   THR  25           HB       THR  25 -18.564  -0.251   8.218
  227    HG1  THR  25           HG1      THR  25 -18.728   0.774   6.011
  228   1HG2  THR  25          HG21      THR  25 -16.915  -1.562   7.133
  229   2HG2  THR  25          HG22      THR  25 -17.322  -0.488   5.799
  230   3HG2  THR  25          HG23      THR  25 -18.040  -2.094   5.887
  231    H    ASP  26           HN       ASP  26 -20.361   0.655   8.080
  232    HA   ASP  26           HA       ASP  26 -22.914   0.248   9.426
  233   1HB   ASP  26           HB1      ASP  26 -22.121   1.091  11.625
  234   2HB   ASP  26           HB2      ASP  26 -20.486   1.259  10.991
  235    H    VAL  27           HN       VAL  27 -21.709   1.716   7.233
  236    HA   VAL  27           HA       VAL  27 -22.064   4.526   8.146
  237    HB   VAL  27           HB       VAL  27 -19.974   3.979   6.944
  238   1HG1  VAL  27          HG11      VAL  27 -20.853   2.037   5.695
  239   2HG1  VAL  27          HG12      VAL  27 -20.040   3.171   4.623
  240   3HG1  VAL  27          HG13      VAL  27 -21.797   3.120   4.683
  241   1HG2  VAL  27          HG21      VAL  27 -20.009   5.958   5.822
  242   2HG2  VAL  27          HG22      VAL  27 -21.694   6.067   6.325
  243   3HG2  VAL  27          HG23      VAL  27 -21.287   5.411   4.742
  244    NH1  ARG  28           NH1      ARG  28 -25.714  -1.213   8.142
  245    NH2  ARG  28           NH2      ARG  28 -24.601  -2.567   6.675
  246    H    ARG  28           HN       ARG  28 -24.328   2.908   7.871
  247    HA   ARG  28           HA       ARG  28 -25.691   4.063   5.475
  248   1HB   ARG  28           HB1      ARG  28 -27.354   2.132   6.003
  249   2HB   ARG  28           HB2      ARG  28 -26.089   1.500   7.049
  250   1HG   ARG  28           HG1      ARG  28 -24.596   1.893   4.876
  251   2HG   ARG  28           HG2      ARG  28 -26.148   1.731   4.068
  252   1HD   ARG  28           HD1      ARG  28 -25.070  -0.473   4.258
  253   2HD   ARG  28           HD2      ARG  28 -26.520  -0.426   5.260
  254    HE   ARG  28           HE       ARG  28 -23.941   0.219   6.575
  255   1HH1  ARG  28          HH11      ARG  28 -26.010  -0.295   8.405
  256   2HH1  ARG  28          HH12      ARG  28 -25.957  -1.999   8.712
  257   1HH2  ARG  28          HH21      ARG  28 -24.062  -2.662   5.837
  258   2HH2  ARG  28          HH22      ARG  28 -24.825  -3.374   7.220
  259    HA   PRO  29           HA       PRO  29 -27.462   6.103   9.267
  260   1HB   PRO  29           HB1      PRO  29 -27.108   8.330   8.839
  261   2HB   PRO  29           HB2      PRO  29 -28.248   8.290   7.494
  262   1HG   PRO  29           HG1      PRO  29 -25.323   8.285   7.395
  263   2HG   PRO  29           HG2      PRO  29 -26.464   8.440   6.057
  264   1HD   PRO  29           HD1      PRO  29 -26.151   6.265   5.464
  265   2HD   PRO  29           HD2      PRO  29 -24.868   6.158   6.680
  266    OH   TYR  30           OH       TYR  30 -29.735  10.627   2.836
  267    H    TYR  30           HN       TYR  30 -28.802   5.739   6.021
  268    HA   TYR  30           HA       TYR  30 -31.538   6.243   6.850
  269   1HB   TYR  30           HB1      TYR  30 -32.090   5.248   4.604
  270   2HB   TYR  30           HB2      TYR  30 -30.412   4.743   4.432
  271    HD1  TYR  30           HD1      TYR  30 -32.460   7.807   5.095
  272    HD2  TYR  30           HD2      TYR  30 -28.878   6.223   3.436
  273    HE1  TYR  30           HE1      TYR  30 -31.886  10.023   4.219
  274    HE2  TYR  30           HE2      TYR  30 -28.305   8.439   2.558
  275    HH   TYR  30           HH       TYR  30 -30.433  11.236   3.088
  276    H    HIS  31           HN       HIS  31 -32.550   4.973   8.264
  277    HA   HIS  31           HA       HIS  31 -32.247   1.999   7.986
  278   1HB   HIS  31           HB1      HIS  31 -32.586   1.872  10.447
  279   2HB   HIS  31           HB2      HIS  31 -32.776   3.621  10.523
  280    HD1  HIS  31           HD1      HIS  31 -30.162   1.181   9.557
  281    HD2  HIS  31           HD2      HIS  31 -30.438   5.004  10.883
  282    HE1  HIS  31           HE1      HIS  31 -27.868   1.873   9.942
  283    H    CYS  32           HN       CYS  32 -34.112   0.789   7.922
  284    HA   CYS  32           HA       CYS  32 -36.583   2.165   7.385
  285   1HB   CYS  32           HB1      CYS  32 -35.850  -0.722   7.971
  286   2HB   CYS  32           HB2      CYS  32 -36.358  -0.031   6.453
  287    H    THR  33           HN       THR  33 -38.313   2.592   8.679
  288    HA   THR  33           HA       THR  33 -37.847   2.835  11.504
  289    HB   THR  33           HB       THR  33 -40.612   2.813  10.170
  290    HG1  THR  33           HG1      THR  33 -39.628   4.203   8.897
  291   1HG2  THR  33          HG21      THR  33 -41.132   4.438  11.873
  292   2HG2  THR  33          HG22      THR  33 -39.433   4.817  12.146
  293   3HG2  THR  33          HG23      THR  33 -40.106   3.306  12.751
  294    OH   TYR  34           OH       TYR  34 -44.755   2.278   9.016
  295    H    TYR  34           HN       TYR  34 -39.143   0.317   9.525
  296    HA   TYR  34           HA       TYR  34 -40.223  -1.104  11.895
  297   1HB   TYR  34           HB1      TYR  34 -41.257  -2.607  10.254
  298   2HB   TYR  34           HB2      TYR  34 -40.286  -1.925   8.954
  299    HD1  TYR  34           HD2      TYR  34 -40.580   0.617   8.483
  300    HD2  TYR  34           HD1      TYR  34 -43.360  -1.656  10.766
  301    HE1  TYR  34           HE2      TYR  34 -42.288   2.334   8.113
  302    HE2  TYR  34           HE1      TYR  34 -45.069   0.060  10.388
  303    HH   TYR  34           HH       TYR  34 -45.578   1.965   9.397
  304    H    CYS  35           HN       CYS  35 -38.536  -2.358   9.028
  305    HA   CYS  35           HA       CYS  35 -37.347  -4.544  10.396
  306   1HB   CYS  35           HB1      CYS  35 -35.931  -4.780   8.452
  307   2HB   CYS  35           HB2      CYS  35 -36.079  -3.093   8.055
  308    H    ASN  36           HN       ASN  36 -34.663  -4.400   9.663
  309    HA   ASN  36           HA       ASN  36 -33.584  -2.263  11.445
  310   1HB   ASN  36           HB1      ASN  36 -32.851  -5.235  11.356
  311   2HB   ASN  36           HB2      ASN  36 -33.602  -4.390  12.707
  312   1HD2  ASN  36          HD21      ASN  36 -32.229  -2.422  13.523
  313   2HD2  ASN  36          HD22      ASN  36 -30.550  -2.658  13.595
  314    H    PHE  37           HN       PHE  37 -33.695  -3.479   8.437
  315    HA   PHE  37           HA       PHE  37 -30.911  -3.547   7.690
  316   1HB   PHE  37           HB1      PHE  37 -33.139  -2.786   5.780
  317   2HB   PHE  37           HB2      PHE  37 -33.089  -4.419   6.438
  318    HD1  PHE  37           HD2      PHE  37 -30.919  -5.766   6.145
  319    HD2  PHE  37           HD1      PHE  37 -31.686  -2.163   4.007
  320    HE1  PHE  37           HE2      PHE  37 -29.194  -6.369   4.504
  321    HE2  PHE  37           HE1      PHE  37 -29.960  -2.773   2.367
  322    HZ   PHE  37           HZ       PHE  37 -28.714  -4.874   2.616
  323    H    SER  38           HN       SER  38 -29.846  -1.968   6.297
  324    HA   SER  38           HA       SER  38 -30.946   0.771   6.519
  325   1HB   SER  38           HB1      SER  38 -28.034   0.244   7.172
  326   2HB   SER  38           HB2      SER  38 -29.262   0.115   8.434
  327    HG   SER  38           HG1      SER  38 -29.968   2.191   7.903
  328    H    PHE  39           HN       PHE  39 -30.240   2.208   4.990
  329    HA   PHE  39           HA       PHE  39 -28.643   1.010   2.764
  330   1HB   PHE  39           HB1      PHE  39 -30.092   2.138   1.225
  331   2HB   PHE  39           HB2      PHE  39 -30.692   3.234   2.469
  332    HD1  PHE  39           HD2      PHE  39 -32.178   2.313   4.302
  333    HD2  PHE  39           HD1      PHE  39 -31.116  -0.015   0.894
  334    HE1  PHE  39           HE2      PHE  39 -33.998   0.740   4.803
  335    HE2  PHE  39           HE1      PHE  39 -32.949  -1.573   1.395
  336    HZ   PHE  39           HZ       PHE  39 -34.389  -1.195   3.347
  337    H    LYS  40           HN       LYS  40 -27.396   2.498   1.508
  338    HA   LYS  40           HA       LYS  40 -26.152   4.552   3.207
  339   1HB   LYS  40           HB1      LYS  40 -25.519   3.387   0.458
  340   2HB   LYS  40           HB2      LYS  40 -24.712   3.009   1.963
  341   1HG   LYS  40           HG1      LYS  40 -24.645   5.691   0.528
  342   2HG   LYS  40           HG2      LYS  40 -23.322   4.544   0.654
  343   1HD   LYS  40           HD1      LYS  40 -23.630   4.760   3.209
  344   2HD   LYS  40           HD2      LYS  40 -24.554   6.209   2.844
  345   1HE   LYS  40           HE1      LYS  40 -22.269   6.895   3.199
  346   2HE   LYS  40           HE2      LYS  40 -22.583   7.010   1.473
  347   1HZ   LYS  40           HZ1      LYS  40 -21.713   4.450   1.834
  348   2HZ   LYS  40           HZ2      LYS  40 -20.725   5.362   2.872
  349   3HZ   LYS  40           HZ3      LYS  40 -20.801   5.745   1.218
  350    H    THR  41           HN       THR  41 -28.485   4.386   0.727
  351    HA   THR  41           HA       THR  41 -28.311   7.356   0.393
  352    HB   THR  41           HB       THR  41 -28.722   7.126  -1.998
  353    HG1  THR  41           HG1      THR  41 -29.220   4.909  -2.694
  354   1HG2  THR  41          HG21      THR  41 -27.115   4.595  -1.335
  355   2HG2  THR  41          HG22      THR  41 -26.391   6.196  -1.204
  356   3HG2  THR  41          HG23      THR  41 -26.952   5.609  -2.766
  357    H    LYS  42           HN       LYS  42 -30.294   8.390  -0.153
  358    HA   LYS  42           HA       LYS  42 -32.517   7.310   1.315
  359   1HB   LYS  42           HB1      LYS  42 -32.620   9.647  -0.628
  360   2HB   LYS  42           HB2      LYS  42 -31.872   9.806   0.956
  361   1HG   LYS  42           HG1      LYS  42 -33.922   9.339   2.087
  362   2HG   LYS  42           HG2      LYS  42 -34.680   8.726   0.622
  363   1HD   LYS  42           HD1      LYS  42 -34.564  10.992  -0.380
  364   2HD   LYS  42           HD2      LYS  42 -33.828  11.602   1.098
  365   1HE   LYS  42           HE1      LYS  42 -36.482  10.159   1.142
  366   2HE   LYS  42           HE2      LYS  42 -36.388  11.888   0.843
  367   1HZ   LYS  42           HZ1      LYS  42 -36.342  10.580   3.287
  368   2HZ   LYS  42           HZ2      LYS  42 -36.152  12.243   2.994
  369   3HZ   LYS  42           HZ3      LYS  42 -34.790  11.232   3.063
  370    H    GLY  43           HN       GLY  43 -31.475   7.205  -1.956
  371   1HA   GLY  43           HA1      GLY  43 -32.431   6.205  -3.854
  372   2HA   GLY  43           HA2      GLY  43 -33.972   6.842  -3.284
  373    H    ASN  44           HN       ASN  44 -31.648   4.276  -2.445
  374    HA   ASN  44           HA       ASN  44 -33.373   2.116  -2.838
  375   1HB   ASN  44           HB1      ASN  44 -31.871   0.960  -1.092
  376   2HB   ASN  44           HB2      ASN  44 -31.092   2.521  -0.855
  377   1HD2  ASN  44          HD21      ASN  44 -31.534   3.166  -3.810
  378   2HD2  ASN  44          HD22      ASN  44 -30.328   2.287  -4.619
  379    H    LEU  45           HN       LEU  45 -32.855   4.019   0.110
  380    HA   LEU  45           HA       LEU  45 -34.503   2.540   1.847
  381   1HB   LEU  45           HB1      LEU  45 -34.019   5.561   1.649
  382   2HB   LEU  45           HB2      LEU  45 -33.104   4.429   2.619
  383    HG   LEU  45           HG       LEU  45 -34.562   5.483   4.171
  384   1HD1  LEU  45          HD11      LEU  45 -36.187   6.104   2.034
  385   2HD1  LEU  45          HD12      LEU  45 -36.620   6.348   3.717
  386   3HD1  LEU  45          HD13      LEU  45 -37.161   4.908   2.870
  387   1HD2  LEU  45          HD21      LEU  45 -36.106   2.977   3.439
  388   2HD2  LEU  45          HD22      LEU  45 -35.879   3.685   5.032
  389   3HD2  LEU  45          HD23      LEU  45 -34.523   2.936   4.201
  390    H    THR  46           HN       THR  46 -35.383   5.297  -0.226
  391    HA   THR  46           HA       THR  46 -38.151   5.303   0.389
  392    HB   THR  46           HB       THR  46 -36.682   6.055  -2.213
  393    HG1  THR  46           HG1      THR  46 -36.354   7.845  -1.123
  394   1HG2  THR  46          HG21      THR  46 -39.537   6.447  -1.204
  395   2HG2  THR  46          HG22      THR  46 -39.017   6.041  -2.836
  396   3HG2  THR  46          HG23      THR  46 -38.798   7.677  -2.224
  397    H    LYS  47           HN       LYS  47 -36.287   3.403  -1.914
  398    HA   LYS  47           HA       LYS  47 -38.547   2.275  -3.285
  399   1HB   LYS  47           HB1      LYS  47 -36.126   0.566  -2.984
  400   2HB   LYS  47           HB2      LYS  47 -35.796   2.184  -3.591
  401   1HG   LYS  47           HG1      LYS  47 -37.432   1.887  -5.387
  402   2HG   LYS  47           HG2      LYS  47 -37.891   0.313  -4.745
  403   1HD   LYS  47           HD1      LYS  47 -35.459  -0.389  -5.040
  404   2HD   LYS  47           HD2      LYS  47 -35.218   1.108  -5.933
  405   1HE   LYS  47           HE1      LYS  47 -35.736  -0.815  -7.438
  406   2HE   LYS  47           HE2      LYS  47 -36.942   0.460  -7.550
  407   1HZ   LYS  47           HZ1      LYS  47 -37.517  -2.109  -7.157
  408   2HZ   LYS  47           HZ2      LYS  47 -38.518  -0.830  -6.663
  409   3HZ   LYS  47           HZ3      LYS  47 -37.466  -1.563  -5.549
  410    H    HIS  48           HN       HIS  48 -36.827   1.419  -0.347
  411    HA   HIS  48           HA       HIS  48 -38.054  -1.186  -0.073
  412   1HB   HIS  48           HB1      HIS  48 -36.756   0.700   1.959
  413   2HB   HIS  48           HB2      HIS  48 -35.989  -0.669   1.158
  414    HD1  HIS  48           HD1      HIS  48 -37.526  -2.957   1.678
  415    HD2  HIS  48           HD2      HIS  48 -37.657   0.026   4.471
  416    HE1  HIS  48           HE1      HIS  48 -38.340  -4.019   3.725
  417    H    MET  49           HN       MET  49 -38.960   2.064   0.810
  418    HA   MET  49           HA       MET  49 -41.127   1.172   2.566
  419   1HB   MET  49           HB1      MET  49 -41.729   3.658   2.474
  420   2HB   MET  49           HB2      MET  49 -40.381   3.881   1.364
  421   1HG   MET  49           HG1      MET  49 -38.817   3.050   3.019
  422   2HG   MET  49           HG2      MET  49 -40.118   2.633   4.103
  423   1HE   MET  49           HE1      MET  49 -41.720   4.380   5.188
  424   2HE   MET  49           HE2      MET  49 -40.802   5.487   6.206
  425   3HE   MET  49           HE3      MET  49 -40.368   3.779   6.147
  426    H    LYS  50           HN       LYS  50 -40.834   2.482  -0.714
  427    HA   LYS  50           HA       LYS  50 -43.557   2.782  -1.328
  428   1HB   LYS  50           HB1      LYS  50 -41.570   1.554  -3.279
  429   2HB   LYS  50           HB2      LYS  50 -41.419   3.236  -2.789
  430   1HG   LYS  50           HG1      LYS  50 -44.027   2.108  -3.847
  431   2HG   LYS  50           HG2      LYS  50 -42.796   2.747  -4.928
  432   1HD   LYS  50           HD1      LYS  50 -43.416   4.874  -4.468
  433   2HD   LYS  50           HD2      LYS  50 -43.267   4.603  -2.738
  434   1HE   LYS  50           HE1      LYS  50 -45.595   5.216  -3.432
  435   2HE   LYS  50           HE2      LYS  50 -45.507   3.646  -2.643
  436   1HZ   LYS  50           HZ1      LYS  50 -45.888   4.260  -5.497
  437   2HZ   LYS  50           HZ2      LYS  50 -46.799   3.242  -4.488
  438   3HZ   LYS  50           HZ3      LYS  50 -45.261   2.756  -5.019
  439    H    SER  51           HN       SER  51 -41.564  -0.147  -1.517
  440    HA   SER  51           HA       SER  51 -43.366  -1.908  -2.702
  441   1HB   SER  51           HB1      SER  51 -41.364  -2.283  -0.426
  442   2HB   SER  51           HB2      SER  51 -41.223  -2.822  -2.110
  443    HG   SER  51           HG1      SER  51 -42.179  -4.210  -0.140
  444    H    LYS  52           HN       LYS  52 -44.780  -3.533  -1.727
  445    HA   LYS  52           HA       LYS  52 -46.681  -2.277   0.062
  446   1HB   LYS  52           HB1      LYS  52 -47.443  -4.913   0.001
  447   2HB   LYS  52           HB2      LYS  52 -46.430  -4.855  -1.437
  448   1HG   LYS  52           HG1      LYS  52 -48.552  -4.236  -2.262
  449   2HG   LYS  52           HG2      LYS  52 -47.758  -2.685  -2.012
  450   1HD   LYS  52           HD1      LYS  52 -48.843  -3.091   0.461
  451   2HD   LYS  52           HD2      LYS  52 -50.038  -3.897  -0.550
  452   1HE   LYS  52           HE1      LYS  52 -49.036  -1.051  -0.900
  453   2HE   LYS  52           HE2      LYS  52 -50.617  -1.520  -0.286
  454   1HZ   LYS  52           HZ1      LYS  52 -49.747  -1.261  -2.964
  455   2HZ   LYS  52           HZ2      LYS  52 -51.318  -1.506  -2.365
  456   3HZ   LYS  52           HZ3      LYS  52 -50.315  -2.837  -2.687
  457    H    ALA  53           HN       ALA  53 -43.774  -3.367   0.809
  458    HA   ALA  53           HA       ALA  53 -43.942  -5.290   2.811
  459   1HB   ALA  53           HB1      ALA  53 -42.055  -3.952   3.930
  460   2HB   ALA  53           HB2      ALA  53 -42.328  -2.695   2.727
  461   3HB   ALA  53           HB3      ALA  53 -41.788  -4.294   2.223
  462    H    HIS  54           HN       HIS  54 -43.347  -2.165   4.184
  463    HA   HIS  54           HA       HIS  54 -45.963  -2.165   5.548
  464   1HB   HIS  54           HB1      HIS  54 -44.884  -3.366   7.226
  465   2HB   HIS  54           HB2      HIS  54 -44.414  -1.746   7.720
  466    HD1  HIS  54           HD1      HIS  54 -42.991  -4.854   6.636
  467    HD2  HIS  54           HD2      HIS  54 -41.708  -0.973   6.751
  468    HE1  HIS  54           HE1      HIS  54 -40.552  -4.966   6.450
  469    H    SER  55           HN       SER  55 -46.289  -0.230   4.407
  470    HA   SER  55           HA       SER  55 -45.151   2.103   5.800
  471   1HB   SER  55           HB1      SER  55 -43.538   2.200   4.075
  472   2HB   SER  55           HB2      SER  55 -44.862   3.028   3.233
  473    HG   SER  55           HG1      SER  55 -45.387   0.481   3.054
  474    H    LYS  56           HN       LYS  56 -47.401   2.126   6.464
  475    HA   LYS  56           HA       LYS  56 -49.635   2.311   4.780
  476   1HB   LYS  56           HB1      LYS  56 -50.600   3.756   6.663
  477   2HB   LYS  56           HB2      LYS  56 -49.004   3.741   7.405
  478   1HG   LYS  56           HG1      LYS  56 -49.066   1.271   7.498
  479   2HG   LYS  56           HG2      LYS  56 -50.654   1.278   6.740
  480   1HD   LYS  56           HD1      LYS  56 -51.649   2.384   8.625
  481   2HD   LYS  56           HD2      LYS  56 -50.076   2.757   9.320
  482   1HE   LYS  56           HE1      LYS  56 -49.644   0.426   9.784
  483   2HE   LYS  56           HE2      LYS  56 -51.056  -0.076   8.862
  484   1HZ   LYS  56           HZ1      LYS  56 -51.985   1.710  10.739
  485   2HZ   LYS  56           HZ2      LYS  56 -50.882   0.725  11.572
  486   3HZ   LYS  56           HZ3      LYS  56 -52.185   0.023  10.741
  487    H    LYS  57           HN       LYS  57 -48.981   5.286   6.424
  488    HA   LYS  57           HA       LYS  57 -49.785   6.921   4.292
  489   1HB   LYS  57           HB1      LYS  57 -49.150   8.709   5.683
  490   2HB   LYS  57           HB2      LYS  57 -47.673   7.908   6.207
  491   1HG   LYS  57           HG1      LYS  57 -48.786   6.596   7.789
  492   2HG   LYS  57           HG2      LYS  57 -50.324   6.698   6.939
  493   1HD   LYS  57           HD1      LYS  57 -49.150   9.247   7.967
  494   2HD   LYS  57           HD2      LYS  57 -49.842   8.140   9.147
  495   1HE   LYS  57           HE1      LYS  57 -51.364   8.841   6.641
  496   2HE   LYS  57           HE2      LYS  57 -51.407   9.913   8.035
  497   1HZ   LYS  57           HZ1      LYS  57 -53.142   8.018   7.766
  498   2HZ   LYS  57           HZ2      LYS  57 -52.510   8.391   9.298
  499   3HZ   LYS  57                 LYS  57 -51.915   7.055   8.434
   
  Start of MODEL          40
 Raw file had 499 H/Q atoms
  Start of MODEL   40
    1   1H    LYS   1           HT1      LYS   1 -12.637  -9.176 -12.931
    2   2H    LYS   1           HT2      LYS   1 -11.795  -7.788 -12.432
    3   3H    LYS   1           HT3      LYS   1 -13.489  -7.838 -12.326
    4    HA   LYS   1           HA       LYS   1 -13.072  -9.888 -10.829
    5   1HB   LYS   1           HB1      LYS   1 -10.847  -8.805  -9.513
    6   2HB   LYS   1           HB2      LYS   1 -10.408  -8.656 -11.210
    7   1HG   LYS   1           HG1      LYS   1  -9.665 -10.832 -10.572
    8   2HG   LYS   1           HG2      LYS   1 -11.161 -11.103 -11.459
    9   1HD   LYS   1           HD1      LYS   1 -11.835 -12.273  -9.632
   10   2HD   LYS   1           HD2      LYS   1 -12.061 -10.704  -8.870
   11   1HE   LYS   1           HE1      LYS   1  -9.579 -10.826  -8.226
   12   2HE   LYS   1           HE2      LYS   1  -9.643 -12.518  -8.704
   13   1HZ   LYS   1           HZ1      LYS   1 -11.708 -12.523  -7.141
   14   2HZ   LYS   1           HZ2      LYS   1 -10.943 -11.172  -6.452
   15   3HZ   LYS   1           HZ3      LYS   1 -10.141 -12.668  -6.504
   16    OH   TYR   2           OH       TYR   2  -7.809  -4.185  -9.024
   17    H    TYR   2           HN       TYR   2 -13.216  -6.555 -11.251
   18    HA   TYR   2           HA       TYR   2 -13.732  -6.025  -8.370
   19   1HB   TYR   2           HB1      TYR   2 -13.904  -3.648  -9.149
   20   2HB   TYR   2           HB2      TYR   2 -13.669  -4.187 -10.808
   21    HD1  TYR   2           HD2      TYR   2 -12.054  -4.102  -7.458
   22    HD2  TYR   2           HD1      TYR   2 -11.478  -4.615 -11.640
   23    HE1  TYR   2           HE2      TYR   2  -9.626  -3.989  -7.139
   24    HE2  TYR   2           HE1      TYR   2  -9.049  -4.509 -11.318
   25    HH   TYR   2           HH       TYR   2  -7.640  -4.034  -8.091
   26    H    ILE   3           HN       ILE   3 -15.615  -7.644  -8.976
   27    HA   ILE   3           HA       ILE   3 -18.006  -5.930  -9.492
   28    HB   ILE   3           HB       ILE   3 -17.683  -8.856 -10.314
   29   1HG1  ILE   3          HG11      ILE   3 -16.892  -6.348 -11.658
   30   2HG1  ILE   3          HG12      ILE   3 -17.896  -7.406 -12.641
   31   1HG2  ILE   3          HG21      ILE   3 -19.764  -8.396 -11.588
   32   2HG2  ILE   3          HG22      ILE   3 -19.724  -6.708 -11.089
   33   3HG2  ILE   3          HG23      ILE   3 -20.019  -7.970  -9.899
   34   1HD1  ILE   3           HD1      ILE   3 -15.360  -7.820 -12.750
   35   2HD1  ILE   3           HD2      ILE   3 -16.366  -9.228 -12.427
   36   3HD1  ILE   3           HD3      ILE   3 -15.500  -8.444 -11.110
   37    H    CYS   4           HN       CYS   4 -19.221  -5.868  -7.695
   38    HA   CYS   4           HA       CYS   4 -18.774  -7.652  -5.514
   39   1HB   CYS   4           HB1      CYS   4 -21.061  -5.789  -6.165
   40   2HB   CYS   4           HB2      CYS   4 -19.741  -5.488  -5.076
   41    H    GLU   5           HN       GLU   5 -19.187  -9.714  -5.560
   42    HA   GLU   5           HA       GLU   5 -21.006 -10.987  -7.326
   43   1HB   GLU   5           HB1      GLU   5 -20.631 -12.985  -5.856
   44   2HB   GLU   5           HB2      GLU   5 -19.877 -11.943  -4.655
   45   1HG   GLU   5           HG1      GLU   5 -18.681 -11.455  -7.240
   46   2HG   GLU   5           HG2      GLU   5 -18.626 -13.179  -6.882
   47    H    GLU   6           HN       GLU   6 -21.556  -9.373  -4.340
   48    HA   GLU   6           HA       GLU   6 -23.983 -10.822  -3.705
   49   1HB   GLU   6           HB1      GLU   6 -23.323  -8.070  -2.643
   50   2HB   GLU   6           HB2      GLU   6 -22.345  -9.440  -2.136
   51   1HG   GLU   6           HG1      GLU   6 -25.372  -9.442  -1.967
   52   2HG   GLU   6           HG2      GLU   6 -24.345  -8.915  -0.636
   53    H    CYS   7           HN       CYS   7 -23.464  -7.371  -4.447
   54    HA   CYS   7           HA       CYS   7 -26.244  -7.106  -5.298
   55   1HB   CYS   7           HB1      CYS   7 -25.670  -4.802  -5.749
   56   2HB   CYS   7           HB2      CYS   7 -23.973  -5.170  -5.846
   57    H    GLY   8           HN       GLY   8 -23.109  -6.742  -6.909
   58   1HA   GLY   8           HA1      GLY   8 -24.421  -7.541  -9.476
   59   2HA   GLY   8           HA2      GLY   8 -22.759  -7.950  -9.063
   60    H    ILE   9           HN       ILE   9 -22.537  -5.182  -7.808
   61    HA   ILE   9           HA       ILE   9 -22.853  -3.308  -9.950
   62    HB   ILE   9           HB       ILE   9 -22.587  -2.902  -7.359
   63   1HG1  ILE   9          HG11      ILE   9 -22.817  -1.136  -9.120
   64   2HG1  ILE   9          HG12      ILE   9 -21.071  -1.125  -9.308
   65   1HG2  ILE   9          HG21      ILE   9 -20.242  -4.091  -7.498
   66   2HG2  ILE   9          HG22      ILE   9 -20.333  -2.615  -6.562
   67   3HG2  ILE   9          HG23      ILE   9 -19.661  -2.583  -8.184
   68   1HD1  ILE   9           HD1      ILE   9 -22.442  -0.667  -6.647
   69   2HD1  ILE   9           HD2      ILE   9 -22.011   0.645  -7.736
   70   3HD1  ILE   9           HD3      ILE   9 -20.753  -0.371  -7.044
   71    NH1  ARG  10           NH1      ARG  10 -20.149  -2.287 -16.867
   72    NH2  ARG  10           NH2      ARG  10 -19.457  -3.900 -18.330
   73    H    ARG  10           HN       ARG  10 -21.444  -2.626 -11.485
   74    HA   ARG  10           HA       ARG  10 -18.906  -4.182 -11.710
   75   1HB   ARG  10           HB1      ARG  10 -20.436  -2.652 -13.866
   76   2HB   ARG  10           HB2      ARG  10 -20.663  -4.363 -13.546
   77   1HG   ARG  10           HG1      ARG  10 -17.916  -4.205 -13.783
   78   2HG   ARG  10           HG2      ARG  10 -18.438  -2.978 -14.926
   79   1HD   ARG  10           HD1      ARG  10 -19.452  -5.843 -14.874
   80   2HD   ARG  10           HD2      ARG  10 -18.252  -5.213 -16.000
   81    HE   ARG  10           HE       ARG  10 -21.111  -4.813 -16.199
   82   1HH1  ARG  10          HH11      ARG  10 -20.515  -2.046 -15.968
   83   2HH1  ARG  10          HH12      ARG  10 -19.949  -1.568 -17.534
   84   1HH2  ARG  10          HH21      ARG  10 -19.304  -4.868 -18.529
   85   2HH2  ARG  10          HH22      ARG  10 -19.246  -3.208 -19.023
   86    H    ABA  11           HN       ABU  11 -17.121  -3.108 -11.252
   87    HA   ABA  11           HA       ABU  11 -16.940  -0.222 -12.023
   88   1HB   ABA  11           HB1      ABU  11 -15.719   0.184  -9.886
   89   2HB   ABA  11           HB2      ABU  11 -15.967  -1.483  -9.419
   90   1HG   ABA  11           HG1      ABU  11 -18.138   0.578  -9.906
   91   2HG   ABA  11           HG2      ABU  11 -17.664  -0.082  -8.343
   92   3HG   ABA  11           HG3      ABU  11 -18.436  -1.118  -9.541
   93    H    LYS  12           HN       LYS  12 -15.596  -0.488 -13.709
   94    HA   LYS  12           HA       LYS  12 -13.496  -2.357 -13.923
   95   1HB   LYS  12           HB1      LYS  12 -12.601  -0.493 -15.589
   96   2HB   LYS  12           HB2      LYS  12 -14.142   0.282 -15.238
   97   1HG   LYS  12           HG1      LYS  12 -15.322  -1.810 -15.880
   98   2HG   LYS  12           HG2      LYS  12 -13.775  -2.549 -16.272
   99   1HD   LYS  12           HD1      LYS  12 -13.370  -0.945 -18.032
  100   2HD   LYS  12           HD2      LYS  12 -14.756   0.023 -17.543
  101   1HE   LYS  12           HE1      LYS  12 -16.299  -1.708 -18.210
  102   2HE   LYS  12           HE2      LYS  12 -14.992  -2.862 -18.445
  103   1HZ   LYS  12           HZ1      LYS  12 -14.356  -0.704 -20.021
  104   2HZ   LYS  12           HZ2      LYS  12 -16.025  -0.929 -20.243
  105   3HZ   LYS  12           HZ3      LYS  12 -14.949  -2.209 -20.540
  106    H    LYS  13           HN       LYS  13 -13.577  -0.246 -11.514
  107    HA   LYS  13           HA       LYS  13 -10.629  -0.068 -11.456
  108   1HB   LYS  13           HB1      LYS  13 -10.908   2.318 -10.535
  109   2HB   LYS  13           HB2      LYS  13 -12.593   2.217 -11.040
  110   1HG   LYS  13           HG1      LYS  13 -11.988   1.986 -13.346
  111   2HG   LYS  13           HG2      LYS  13 -10.298   1.692 -12.949
  112   1HD   LYS  13           HD1      LYS  13 -11.385   4.229 -11.890
  113   2HD   LYS  13           HD2      LYS  13 -11.305   4.143 -13.648
  114   1HE   LYS  13           HE1      LYS  13  -8.960   3.735 -13.627
  115   2HE   LYS  13           HE2      LYS  13  -8.965   3.331 -11.915
  116   1HZ   LYS  13           HZ1      LYS  13  -9.009   5.490 -11.302
  117   2HZ   LYS  13           HZ2      LYS  13  -9.879   5.994 -12.669
  118   3HZ   LYS  13           HZ3      LYS  13  -8.216   5.677 -12.792
  119    HA   PRO  14           HA       PRO  14 -11.186  -1.425  -7.271
  120   1HB   PRO  14           HB1      PRO  14  -8.957  -1.622  -6.709
  121   2HB   PRO  14           HB2      PRO  14  -8.998   0.044  -6.132
  122   1HG   PRO  14           HG1      PRO  14  -7.538  -0.902  -8.368
  123   2HG   PRO  14           HG2      PRO  14  -7.843   0.791  -7.977
  124   1HD   PRO  14           HD1      PRO  14  -9.099   0.901  -9.893
  125   2HD   PRO  14           HD2      PRO  14  -9.030  -0.862 -10.085
  126    H    SER  15           HN       SER  15  -9.760   1.811  -6.902
  127    HA   SER  15           HA       SER  15 -10.833   2.862  -4.711
  128   1HB   SER  15           HB1      SER  15  -9.683   4.196  -6.563
  129   2HB   SER  15           HB2      SER  15 -11.061   5.063  -5.855
  130    HG   SER  15           HG1      SER  15 -11.725   5.060  -7.867
  131    H    MET  16           HN       MET  16 -12.844   2.480  -7.634
  132    HA   MET  16           HA       MET  16 -15.213   3.497  -6.308
  133   1HB   MET  16           HB1      MET  16 -16.320   2.228  -8.358
  134   2HB   MET  16           HB2      MET  16 -14.663   1.955  -8.873
  135   1HG   MET  16           HG1      MET  16 -14.233   4.223  -9.206
  136   2HG   MET  16           HG2      MET  16 -15.513   4.738  -8.145
  137   1HE   MET  16           HE1      MET  16 -16.577   2.073 -10.983
  138   2HE   MET  16           HE2      MET  16 -14.898   2.595 -11.111
  139   3HE   MET  16           HE3      MET  16 -16.065   3.073 -12.342
  140    H    LEU  17           HN       LEU  17 -14.337   0.183  -7.374
  141    HA   LEU  17           HA       LEU  17 -16.472  -1.121  -6.056
  142   1HB   LEU  17           HB1      LEU  17 -13.650  -2.253  -6.194
  143   2HB   LEU  17           HB2      LEU  17 -14.588  -2.042  -7.649
  144    HG   LEU  17           HG       LEU  17 -14.772  -4.360  -6.744
  145   1HD1  LEU  17          HD11      LEU  17 -15.689  -4.848  -4.637
  146   2HD1  LEU  17          HD12      LEU  17 -16.339  -3.232  -4.431
  147   3HD1  LEU  17          HD13      LEU  17 -14.608  -3.499  -4.321
  148   1HD2  LEU  17          HD21      LEU  17 -17.042  -4.622  -7.201
  149   2HD2  LEU  17          HD22      LEU  17 -16.743  -3.050  -7.915
  150   3HD2  LEU  17          HD23      LEU  17 -17.511  -3.162  -6.346
  151    H    LYS  18           HN       LYS  18 -13.192  -0.432  -4.977
  152    HA   LYS  18           HA       LYS  18 -13.005  -1.436  -2.476
  153   1HB   LYS  18           HB1      LYS  18 -12.391   1.471  -2.505
  154   2HB   LYS  18           HB2      LYS  18 -11.740   0.613  -3.892
  155   1HG   LYS  18           HG1      LYS  18 -11.362  -0.537  -1.130
  156   2HG   LYS  18           HG2      LYS  18 -10.331   0.780  -1.668
  157   1HD   LYS  18           HD1      LYS  18  -9.741  -0.545  -3.704
  158   2HD   LYS  18           HD2      LYS  18 -10.705  -1.880  -3.082
  159   1HE   LYS  18           HE1      LYS  18  -8.292  -2.140  -2.538
  160   2HE   LYS  18           HE2      LYS  18  -9.280  -2.010  -1.090
  161   1HZ   LYS  18           HZ1      LYS  18  -8.721   0.356  -0.996
  162   2HZ   LYS  18           HZ2      LYS  18  -7.703   0.167  -2.341
  163   3HZ   LYS  18           HZ3      LYS  18  -7.346  -0.634  -0.886
  164    H    LYS  19           HN       LYS  19 -14.460   1.763  -3.080
  165    HA   LYS  19           HA       LYS  19 -15.469   2.042  -0.438
  166   1HB   LYS  19           HB1      LYS  19 -17.152   3.618  -1.878
  167   2HB   LYS  19           HB2      LYS  19 -15.909   3.360  -3.095
  168   1HG   LYS  19           HG1      LYS  19 -14.200   4.029  -1.326
  169   2HG   LYS  19           HG2      LYS  19 -15.554   4.528  -0.320
  170   1HD   LYS  19           HD1      LYS  19 -16.298   5.878  -2.444
  171   2HD   LYS  19           HD2      LYS  19 -14.620   5.686  -2.940
  172   1HE   LYS  19           HE1      LYS  19 -15.726   7.133  -0.540
  173   2HE   LYS  19           HE2      LYS  19 -14.569   7.706  -1.734
  174   1HZ   LYS  19           HZ1      LYS  19 -13.022   7.157  -0.269
  175   2HZ   LYS  19           HZ2      LYS  19 -13.360   5.531  -0.628
  176   3HZ   LYS  19           HZ3      LYS  19 -14.113   6.283   0.696
  177    H    HIS  20           HN       HIS  20 -16.881   0.682  -3.375
  178    HA   HIS  20           HA       HIS  20 -19.547   0.453  -2.413
  179   1HB   HIS  20           HB1      HIS  20 -18.020  -1.360  -4.337
  180   2HB   HIS  20           HB2      HIS  20 -18.983   0.039  -4.798
  181    HD1  HIS  20           HD1      HIS  20 -21.368  -0.563  -5.219
  182    HD2  HIS  20           HD2      HIS  20 -19.561  -3.434  -2.977
  183    HE1  HIS  20           HE1      HIS  20 -23.041  -2.331  -4.952
  184    H    ILE  21           HN       ILE  21 -16.856  -1.901  -2.286
  185    HA   ILE  21           HA       ILE  21 -18.402  -3.879  -0.946
  186    HB   ILE  21           HB       ILE  21 -15.936  -3.959  -2.013
  187   1HG1  ILE  21          HG11      ILE  21 -17.185  -5.586   0.185
  188   2HG1  ILE  21          HG12      ILE  21 -15.550  -5.974  -0.333
  189   1HG2  ILE  21          HG21      ILE  21 -15.303  -3.915   0.972
  190   2HG2  ILE  21          HG22      ILE  21 -15.152  -2.460   0.006
  191   3HG2  ILE  21          HG23      ILE  21 -14.175  -3.860  -0.377
  192   1HD1  ILE  21           HD1      ILE  21 -17.190  -7.288  -1.617
  193   2HD1  ILE  21           HD2      ILE  21 -16.349  -6.163  -2.678
  194   3HD1  ILE  21           HD3      ILE  21 -17.987  -5.812  -2.142
  195    NH1  ARG  22           NH1      ARG  22 -15.836   3.572   3.386
  196    NH2  ARG  22           NH2      ARG  22 -13.978   3.892   4.677
  197    H    ARG  22           HN       ARG  22 -16.778  -1.029   0.225
  198    HA   ARG  22           HA       ARG  22 -16.800  -1.824   3.015
  199   1HB   ARG  22           HB1      ARG  22 -16.701   0.794   3.289
  200   2HB   ARG  22           HB2      ARG  22 -16.582   0.827   1.536
  201   1HG   ARG  22           HG1      ARG  22 -14.587  -0.585   1.601
  202   2HG   ARG  22           HG2      ARG  22 -14.739  -0.767   3.345
  203   1HD   ARG  22           HD1      ARG  22 -14.301   1.869   1.896
  204   2HD   ARG  22           HD2      ARG  22 -13.061   0.970   2.769
  205    HE   ARG  22           HE       ARG  22 -14.660   1.290   4.802
  206   1HH1  ARG  22          HH11      ARG  22 -16.438   2.946   2.892
  207   2HH1  ARG  22          HH12      ARG  22 -16.034   4.552   3.395
  208   1HH2  ARG  22          HH21      ARG  22 -13.187   3.503   5.152
  209   2HH2  ARG  22          HH22      ARG  22 -14.146   4.878   4.708
  210    H    THR  23           HN       THR  23 -19.142  -0.368   0.865
  211    HA   THR  23           HA       THR  23 -20.916   0.679   2.828
  212    HB   THR  23           HB       THR  23 -21.907  -0.702   0.281
  213    HG1  THR  23           HG1      THR  23 -20.853   1.900   0.337
  214   1HG2  THR  23          HG21      THR  23 -22.455   2.009   1.627
  215   2HG2  THR  23          HG22      THR  23 -23.522   0.612   1.756
  216   3HG2  THR  23          HG23      THR  23 -23.287   1.398   0.198
  217    H    HIS  24           HN       HIS  24 -20.268  -2.612   1.877
  218    HA   HIS  24           HA       HIS  24 -22.733  -3.668   3.031
  219   1HB   HIS  24           HB1      HIS  24 -21.354  -5.888   2.854
  220   2HB   HIS  24           HB2      HIS  24 -20.106  -4.906   2.089
  221    HD1  HIS  24           HD1      HIS  24 -23.814  -5.347   1.569
  222    HD2  HIS  24           HD2      HIS  24 -20.417  -4.830  -0.617
  223    HE1  HIS  24           HE1      HIS  24 -24.533  -5.347  -0.793
  224    H    THR  25           HN       THR  25 -20.762  -1.966   4.610
  225    HA   THR  25           HA       THR  25 -20.088  -3.855   6.798
  226    HB   THR  25           HB       THR  25 -18.927  -1.716   7.700
  227    HG1  THR  25           HG1      THR  25 -18.830  -0.110   5.993
  228   1HG2  THR  25          HG21      THR  25 -17.358  -3.003   6.419
  229   2HG2  THR  25          HG22      THR  25 -17.405  -1.493   5.515
  230   3HG2  THR  25          HG23      THR  25 -18.337  -2.880   4.961
  231    H    ASP  26           HN       ASP  26 -20.538  -0.635   7.679
  232    HA   ASP  26           HA       ASP  26 -23.327  -1.010   8.548
  233   1HB   ASP  26           HB1      ASP  26 -22.526  -0.245  10.930
  234   2HB   ASP  26           HB2      ASP  26 -20.926  -0.757  10.404
  235    H    VAL  27           HN       VAL  27 -21.793   0.671   6.762
  236    HA   VAL  27           HA       VAL  27 -21.999   3.336   8.039
  237    HB   VAL  27           HB       VAL  27 -19.934   2.814   6.798
  238   1HG1  VAL  27          HG11      VAL  27 -21.758   2.338   4.427
  239   2HG1  VAL  27          HG12      VAL  27 -20.896   1.092   5.313
  240   3HG1  VAL  27          HG13      VAL  27 -20.000   2.291   4.393
  241   1HG2  VAL  27          HG21      VAL  27 -21.129   4.574   4.765
  242   2HG2  VAL  27          HG22      VAL  27 -19.802   4.891   5.878
  243   3HG2  VAL  27          HG23      VAL  27 -21.467   5.077   6.419
  244    NH1  ARG  28           NH2      ARG  28 -26.346  -2.854   3.717
  245    NH2  ARG  28           NH1      ARG  28 -26.049  -1.921   1.652
  246    H    ARG  28           HN       ARG  28 -24.400   2.082   7.615
  247    HA   ARG  28           HA       ARG  28 -25.611   3.608   5.346
  248   1HB   ARG  28           HB1      ARG  28 -27.446   1.796   5.606
  249   2HB   ARG  28           HB2      ARG  28 -26.301   0.941   6.633
  250   1HG   ARG  28           HG1      ARG  28 -24.764   1.585   4.436
  251   2HG   ARG  28           HG2      ARG  28 -26.329   1.241   3.716
  252   1HD   ARG  28           HD1      ARG  28 -26.373  -0.886   5.127
  253   2HD   ARG  28           HD2      ARG  28 -24.677  -0.572   5.489
  254    HE   ARG  28           HE       ARG  28 -24.266  -0.716   3.006
  255   1HH1  ARG  28          HH21      ARG  28 -26.159  -2.836   4.700
  256   2HH1  ARG  28          HH22      ARG  28 -26.926  -3.571   3.332
  257   1HH2  ARG  28          HH11      ARG  28 -25.640  -1.205   1.087
  258   2HH2  ARG  28          HH12      ARG  28 -26.625  -2.623   1.231
  259    HA   PRO  29           HA       PRO  29 -27.275   5.351   9.315
  260   1HB   PRO  29           HB1      PRO  29 -26.636   7.550   9.166
  261   2HB   PRO  29           HB2      PRO  29 -27.781   7.822   7.853
  262   1HG   PRO  29           HG1      PRO  29 -24.879   7.508   7.690
  263   2HG   PRO  29           HG2      PRO  29 -26.005   7.947   6.403
  264   1HD   PRO  29           HD1      PRO  29 -25.942   5.838   5.546
  265   2HD   PRO  29           HD2      PRO  29 -24.655   5.452   6.703
  266    OH   TYR  30           OH       TYR  30 -28.862  10.563   2.940
  267    H    TYR  30           HN       TYR  30 -28.582   5.588   6.029
  268    HA   TYR  30           HA       TYR  30 -31.250   6.335   6.807
  269   1HB   TYR  30           HB1      TYR  30 -31.861   5.452   4.517
  270   2HB   TYR  30           HB2      TYR  30 -30.249   4.762   4.378
  271    HD1  TYR  30           HD1      TYR  30 -31.869   8.044   5.199
  272    HD2  TYR  30           HD2      TYR  30 -28.612   6.061   3.314
  273    HE1  TYR  30           HE1      TYR  30 -31.024  10.199   4.389
  274    HE2  TYR  30           HE2      TYR  30 -27.765   8.215   2.510
  275    HH   TYR  30           HH       TYR  30 -28.046  10.400   2.460
  276    H    HIS  31           HN       HIS  31 -31.900   5.034   8.554
  277    HA   HIS  31           HA       HIS  31 -32.115   2.103   8.057
  278   1HB   HIS  31           HB1      HIS  31 -32.991   2.367  10.596
  279   2HB   HIS  31           HB2      HIS  31 -32.109   3.888  10.480
  280    HD1  HIS  31           HD1      HIS  31 -31.519   0.514  11.215
  281    HD2  HIS  31           HD2      HIS  31 -29.319   3.409   9.415
  282    HE1  HIS  31           HE1      HIS  31 -29.228  -0.280  11.330
  283    H    CYS  32           HN       CYS  32 -34.066   0.997   8.079
  284    HA   CYS  32           HA       CYS  32 -36.401   2.511   7.287
  285   1HB   CYS  32           HB1      CYS  32 -35.889  -0.396   8.020
  286   2HB   CYS  32           HB2      CYS  32 -36.195   0.267   6.436
  287    H    THR  33           HN       THR  33 -38.195   3.068   8.448
  288    HA   THR  33           HA       THR  33 -37.913   3.415  11.282
  289    HB   THR  33           HB       THR  33 -40.632   3.400   9.887
  290    HG1  THR  33           HG1      THR  33 -39.990   5.093   8.722
  291   1HG2  THR  33          HG21      THR  33 -39.175   5.353  11.765
  292   2HG2  THR  33          HG22      THR  33 -40.404   4.208  12.292
  293   3HG2  THR  33          HG23      THR  33 -40.837   5.530  11.212
  294    OH   TYR  34           OH       TYR  34 -44.624   2.848   8.736
  295    H    TYR  34           HN       TYR  34 -38.819   0.735   9.443
  296    HA   TYR  34           HA       TYR  34 -40.168  -0.534  11.788
  297   1HB   TYR  34           HB1      TYR  34 -41.219  -2.052  10.165
  298   2HB   TYR  34           HB2      TYR  34 -40.220  -1.420   8.864
  299    HD1  TYR  34           HD2      TYR  34 -40.445   1.159   8.390
  300    HD2  TYR  34           HD1      TYR  34 -43.332  -1.090  10.560
  301    HE1  TYR  34           HE2      TYR  34 -42.123   2.883   7.942
  302    HE2  TYR  34           HE1      TYR  34 -45.015   0.635  10.096
  303    HH   TYR  34           HH       TYR  34 -45.485   2.423   8.704
  304    H    CYS  35           HN       CYS  35 -38.432  -1.815   8.961
  305    HA   CYS  35           HA       CYS  35 -37.317  -4.019  10.414
  306   1HB   CYS  35           HB1      CYS  35 -35.968  -4.402   8.452
  307   2HB   CYS  35           HB2      CYS  35 -36.059  -2.733   7.975
  308    H    ASN  36           HN       ASN  36 -34.835  -4.336  10.233
  309    HA   ASN  36           HA       ASN  36 -33.593  -2.041  11.681
  310   1HB   ASN  36           HB1      ASN  36 -32.601  -4.928  11.563
  311   2HB   ASN  36           HB2      ASN  36 -33.785  -4.404  12.758
  312   1HD2  ASN  36          HD21      ASN  36 -33.076  -2.906  14.424
  313   2HD2  ASN  36          HD22      ASN  36 -31.430  -2.605  14.709
  314    H    PHE  37           HN       PHE  37 -33.838  -3.214   8.700
  315    HA   PHE  37           HA       PHE  37 -31.056  -3.364   7.880
  316   1HB   PHE  37           HB1      PHE  37 -33.336  -2.708   5.997
  317   2HB   PHE  37           HB2      PHE  37 -33.270  -4.306   6.738
  318    HD1  PHE  37           HD2      PHE  37 -31.133  -5.681   6.456
  319    HD2  PHE  37           HD1      PHE  37 -31.892  -2.158   4.187
  320    HE1  PHE  37           HE2      PHE  37 -29.437  -6.367   4.817
  321    HE2  PHE  37           HE1      PHE  37 -30.193  -2.848   2.552
  322    HZ   PHE  37           HZ       PHE  37 -28.965  -4.951   2.866
  323    H    SER  38           HN       SER  38 -30.290  -1.854   6.087
  324    HA   SER  38           HA       SER  38 -31.368   0.855   6.260
  325   1HB   SER  38           HB1      SER  38 -28.486   0.383   7.124
  326   2HB   SER  38           HB2      SER  38 -29.811   0.482   8.292
  327    HG   SER  38           HG1      SER  38 -28.681   2.444   6.736
  328    H    PHE  39           HN       PHE  39 -30.053   2.390   4.931
  329    HA   PHE  39           HA       PHE  39 -28.594   0.978   2.747
  330   1HB   PHE  39           HB1      PHE  39 -29.931   2.121   1.098
  331   2HB   PHE  39           HB2      PHE  39 -30.578   3.240   2.298
  332    HD1  PHE  39           HD2      PHE  39 -32.088   2.327   4.118
  333    HD2  PHE  39           HD1      PHE  39 -31.003  -0.005   0.728
  334    HE1  PHE  39           HE2      PHE  39 -33.911   0.765   4.614
  335    HE2  PHE  39           HE1      PHE  39 -32.833  -1.570   1.229
  336    HZ   PHE  39           HZ       PHE  39 -34.277  -1.191   3.183
  337    H    LYS  40           HN       LYS  40 -27.312   2.436   1.416
  338    HA   LYS  40           HA       LYS  40 -25.958   4.416   3.111
  339   1HB   LYS  40           HB1      LYS  40 -25.440   3.365   0.291
  340   2HB   LYS  40           HB2      LYS  40 -24.637   2.838   1.755
  341   1HG   LYS  40           HG1      LYS  40 -24.447   5.606   0.513
  342   2HG   LYS  40           HG2      LYS  40 -23.180   4.391   0.548
  343   1HD   LYS  40           HD1      LYS  40 -23.624   4.472   3.159
  344   2HD   LYS  40           HD2      LYS  40 -24.242   6.074   2.784
  345   1HE   LYS  40           HE1      LYS  40 -21.876   6.279   3.291
  346   2HE   LYS  40           HE2      LYS  40 -22.087   6.543   1.565
  347   1HZ   LYS  40           HZ1      LYS  40 -21.517   4.183   1.225
  348   2HZ   LYS  40           HZ2      LYS  40 -21.179   4.047   2.883
  349   3HZ   LYS  40           HZ3      LYS  40 -20.253   5.086   1.910
  350    H    THR  41           HN       THR  41 -28.309   4.405   0.614
  351    HA   THR  41           HA       THR  41 -27.964   7.367   0.316
  352    HB   THR  41           HB       THR  41 -28.661   7.156  -2.008
  353    HG1  THR  41           HG1      THR  41 -29.388   4.933  -2.575
  354   1HG2  THR  41          HG21      THR  41 -26.368   5.918  -1.317
  355   2HG2  THR  41          HG22      THR  41 -27.037   5.634  -2.920
  356   3HG2  THR  41          HG23      THR  41 -27.295   4.456  -1.637
  357    H    LYS  42           HN       LYS  42 -29.872   8.589  -0.008
  358    HA   LYS  42           HA       LYS  42 -32.034   7.709   1.686
  359   1HB   LYS  42           HB1      LYS  42 -31.840  10.146  -0.145
  360   2HB   LYS  42           HB2      LYS  42 -31.259  10.105   1.516
  361   1HG   LYS  42           HG1      LYS  42 -33.335  10.716   2.166
  362   2HG   LYS  42           HG2      LYS  42 -33.894   9.130   1.647
  363   1HD   LYS  42           HD1      LYS  42 -34.257  10.003  -0.640
  364   2HD   LYS  42           HD2      LYS  42 -33.697  11.590  -0.124
  365   1HE   LYS  42           HE1      LYS  42 -35.570  11.256   1.745
  366   2HE   LYS  42           HE2      LYS  42 -36.253  10.174   0.538
  367   1HZ   LYS  42           HZ1      LYS  42 -36.842  12.689   0.549
  368   2HZ   LYS  42           HZ2      LYS  42 -36.615  11.867  -0.919
  369   3HZ   LYS  42           HZ3      LYS  42 -35.375  12.843  -0.292
  370    H    GLY  43           HN       GLY  43 -31.337   7.543  -1.656
  371   1HA   GLY  43           HA1      GLY  43 -32.634   6.862  -3.498
  372   2HA   GLY  43           HA2      GLY  43 -34.044   7.500  -2.654
  373    H    ASN  44           HN       ASN  44 -31.733   4.817  -2.249
  374    HA   ASN  44           HA       ASN  44 -33.426   2.681  -2.678
  375   1HB   ASN  44           HB1      ASN  44 -31.984   1.499  -0.871
  376   2HB   ASN  44           HB2      ASN  44 -31.202   3.058  -0.627
  377   1HD2  ASN  44          HD21      ASN  44 -29.998   0.570  -1.752
  378   2HD2  ASN  44          HD22      ASN  44 -29.447   0.981  -3.304
  379    H    LEU  45           HN       LEU  45 -33.274   4.741   0.151
  380    HA   LEU  45           HA       LEU  45 -34.806   3.154   1.926
  381   1HB   LEU  45           HB1      LEU  45 -34.959   6.199   1.664
  382   2HB   LEU  45           HB2      LEU  45 -33.570   5.394   2.373
  383    HG   LEU  45           HG       LEU  45 -35.074   6.137   4.150
  384   1HD1  LEU  45          HD11      LEU  45 -37.366   5.736   4.244
  385   2HD1  LEU  45          HD12      LEU  45 -37.289   4.326   3.203
  386   3HD1  LEU  45          HD13      LEU  45 -37.130   5.934   2.513
  387   1HD2  LEU  45          HD21      LEU  45 -35.593   3.174   4.099
  388   2HD2  LEU  45          HD22      LEU  45 -35.027   4.191   5.414
  389   3HD2  LEU  45          HD23      LEU  45 -33.935   3.749   4.112
  390    H    THR  46           HN       THR  46 -35.921   5.797  -0.191
  391    HA   THR  46           HA       THR  46 -38.687   5.425   0.264
  392    HB   THR  46           HB       THR  46 -37.264   6.341  -2.311
  393    HG1  THR  46           HG1      THR  46 -38.128   7.514   0.120
  394   1HG2  THR  46          HG21      THR  46 -39.494   7.803  -2.268
  395   2HG2  THR  46          HG22      THR  46 -40.121   6.515  -1.244
  396   3HG2  THR  46          HG23      THR  46 -39.606   6.160  -2.889
  397    H    LYS  47           HN       LYS  47 -36.475   3.775  -1.911
  398    HA   LYS  47           HA       LYS  47 -38.490   2.396  -3.427
  399   1HB   LYS  47           HB1      LYS  47 -35.600   1.635  -2.778
  400   2HB   LYS  47           HB2      LYS  47 -36.133   2.548  -4.185
  401   1HG   LYS  47           HG1      LYS  47 -37.612   0.531  -4.750
  402   2HG   LYS  47           HG2      LYS  47 -36.706  -0.351  -3.526
  403   1HD   LYS  47           HD1      LYS  47 -35.254  -0.812  -5.219
  404   2HD   LYS  47           HD2      LYS  47 -34.685   0.835  -4.971
  405   1HE   LYS  47           HE1      LYS  47 -35.180   0.717  -7.296
  406   2HE   LYS  47           HE2      LYS  47 -36.563   1.544  -6.590
  407   1HZ   LYS  47           HZ1      LYS  47 -37.573  -0.772  -6.421
  408   2HZ   LYS  47           HZ2      LYS  47 -36.367  -1.246  -7.519
  409   3HZ   LYS  47           HZ3      LYS  47 -37.493  -0.053  -7.958
  410    H    HIS  48           HN       HIS  48 -36.650   1.514  -0.521
  411    HA   HIS  48           HA       HIS  48 -37.750  -1.125  -0.302
  412   1HB   HIS  48           HB1      HIS  48 -36.536   0.807   1.727
  413   2HB   HIS  48           HB2      HIS  48 -35.773  -0.603   0.999
  414    HD1  HIS  48           HD1      HIS  48 -37.161  -2.885   1.674
  415    HD2  HIS  48           HD2      HIS  48 -37.639   0.295   4.197
  416    HE1  HIS  48           HE1      HIS  48 -38.015  -3.835   3.762
  417    H    MET  49           HN       MET  49 -38.892   2.027   0.681
  418    HA   MET  49           HA       MET  49 -41.021   0.930   2.364
  419   1HB   MET  49           HB1      MET  49 -41.816   3.423   2.167
  420   2HB   MET  49           HB2      MET  49 -40.301   3.696   1.315
  421   1HG   MET  49           HG1      MET  49 -39.071   2.737   3.232
  422   2HG   MET  49           HG2      MET  49 -40.576   2.498   4.077
  423   1HE   MET  49           HE1      MET  49 -38.739   5.039   6.235
  424   2HE   MET  49           HE2      MET  49 -38.420   3.458   5.520
  425   3HE   MET  49           HE3      MET  49 -39.957   3.767   6.326
  426    H    LYS  50           HN       LYS  50 -40.738   2.293  -0.885
  427    HA   LYS  50           HA       LYS  50 -43.480   2.419  -1.542
  428   1HB   LYS  50           HB1      LYS  50 -41.380   1.442  -3.511
  429   2HB   LYS  50           HB2      LYS  50 -41.330   3.097  -2.912
  430   1HG   LYS  50           HG1      LYS  50 -43.681   3.417  -3.669
  431   2HG   LYS  50           HG2      LYS  50 -43.679   1.782  -4.319
  432   1HD   LYS  50           HD1      LYS  50 -41.652   2.456  -5.706
  433   2HD   LYS  50           HD2      LYS  50 -41.953   4.113  -5.199
  434   1HE   LYS  50           HE1      LYS  50 -43.915   2.323  -6.670
  435   2HE   LYS  50           HE2      LYS  50 -43.030   3.672  -7.372
  436   1HZ   LYS  50           HZ1      LYS  50 -44.710   4.944  -6.758
  437   2HZ   LYS  50           HZ2      LYS  50 -44.267   4.687  -5.139
  438   3HZ   LYS  50           HZ3      LYS  50 -45.434   3.691  -5.869
  439    H    SER  51           HN       SER  51 -41.683  -0.269  -0.687
  440    HA   SER  51           HA       SER  51 -42.960  -2.231  -2.400
  441   1HB   SER  51           HB1      SER  51 -41.706  -2.717   0.351
  442   2HB   SER  51           HB2      SER  51 -40.737  -2.534  -1.125
  443    HG   SER  51           HG1      SER  51 -41.354  -4.728  -0.723
  444    H    LYS  52           HN       LYS  52 -44.162  -4.104  -1.259
  445    HA   LYS  52           HA       LYS  52 -46.442  -2.850   0.164
  446   1HB   LYS  52           HB1      LYS  52 -47.253  -4.210  -1.597
  447   2HB   LYS  52           HB2      LYS  52 -47.339  -5.325  -0.240
  448   1HG   LYS  52           HG1      LYS  52 -46.165  -6.669  -1.702
  449   2HG   LYS  52           HG2      LYS  52 -44.803  -5.812  -0.990
  450   1HD   LYS  52           HD1      LYS  52 -44.363  -5.474  -3.249
  451   2HD   LYS  52           HD2      LYS  52 -45.341  -4.050  -2.916
  452   1HE   LYS  52           HE1      LYS  52 -47.372  -5.397  -3.614
  453   2HE   LYS  52           HE2      LYS  52 -46.270  -6.663  -4.142
  454   1HZ   LYS  52           HZ1      LYS  52 -46.735  -4.009  -5.277
  455   2HZ   LYS  52           HZ2      LYS  52 -46.513  -5.500  -6.058
  456   3HZ   LYS  52           HZ3      LYS  52 -45.178  -4.674  -5.410
  457    H    ALA  53           HN       ALA  53 -43.723  -3.699   1.318
  458    HA   ALA  53           HA       ALA  53 -44.260  -5.890   3.114
  459   1HB   ALA  53           HB1      ALA  53 -42.273  -3.580   3.399
  460   2HB   ALA  53           HB2      ALA  53 -41.954  -5.070   2.517
  461   3HB   ALA  53           HB3      ALA  53 -42.196  -5.114   4.260
  462    H    HIS  54           HN       HIS  54 -43.565  -2.573   4.166
  463    HA   HIS  54           HA       HIS  54 -46.017  -2.619   5.821
  464   1HB   HIS  54           HB1      HIS  54 -44.612  -3.345   7.523
  465   2HB   HIS  54           HB2      HIS  54 -44.294  -1.620   7.655
  466    HD1  HIS  54           HD1      HIS  54 -42.784  -4.688   6.250
  467    HD2  HIS  54           HD2      HIS  54 -41.673  -0.816   6.953
  468    HE1  HIS  54           HE1      HIS  54 -40.354  -4.641   5.963
  469    H    SER  55           HN       SER  55 -46.739  -0.988   4.435
  470    HA   SER  55           HA       SER  55 -45.711   1.680   5.203
  471   1HB   SER  55           HB1      SER  55 -44.521   1.299   3.100
  472   2HB   SER  55           HB2      SER  55 -45.911   2.315   2.668
  473    HG   SER  55           HG1      SER  55 -46.521  -0.338   2.819
  474    H    LYS  56           HN       LYS  56 -48.191  -0.303   3.717
  475    HA   LYS  56           HA       LYS  56 -50.124   1.752   3.283
  476   1HB   LYS  56           HB1      LYS  56 -51.753  -0.134   3.252
  477   2HB   LYS  56           HB2      LYS  56 -50.564  -1.186   4.009
  478   1HG   LYS  56           HG1      LYS  56 -49.056  -0.877   2.064
  479   2HG   LYS  56           HG2      LYS  56 -50.258   0.160   1.303
  480   1HD   LYS  56           HD1      LYS  56 -51.698  -1.608   0.851
  481   2HD   LYS  56           HD2      LYS  56 -51.120  -2.565   2.209
  482   1HE   LYS  56           HE1      LYS  56 -49.067  -3.103   1.048
  483   2HE   LYS  56           HE2      LYS  56 -49.434  -1.961  -0.238
  484   1HZ   LYS  56           HZ1      LYS  56 -49.960  -4.552  -0.387
  485   2HZ   LYS  56           HZ2      LYS  56 -50.857  -3.372  -1.215
  486   3HZ   LYS  56           HZ3      LYS  56 -51.434  -4.004   0.252
  487    H    LYS  57           HN       LYS  57 -50.528  -0.752   5.753
  488    HA   LYS  57           HA       LYS  57 -52.274   0.733   7.365
  489   1HB   LYS  57           HB1      LYS  57 -51.532  -0.870   9.199
  490   2HB   LYS  57           HB2      LYS  57 -50.258  -1.434   8.123
  491   1HG   LYS  57           HG1      LYS  57 -51.910  -2.976   7.598
  492   2HG   LYS  57           HG2      LYS  57 -52.304  -1.719   6.431
  493   1HD   LYS  57           HD1      LYS  57 -53.955  -0.769   8.019
  494   2HD   LYS  57           HD2      LYS  57 -53.564  -2.032   9.179
  495   1HE   LYS  57           HE1      LYS  57 -54.370  -2.817   6.393
  496   2HE   LYS  57           HE2      LYS  57 -55.616  -2.330   7.534
  497   1HZ   LYS  57           HZ1      LYS  57 -55.507  -4.310   8.463
  498   2HZ   LYS  57           HZ2      LYS  57 -53.861  -4.092   8.823
  499   3HZ   LYS  57                 LYS  57 -54.323  -4.789   7.345
   
  Start of MODEL          41
 Raw file had 499 H/Q atoms
  Start of MODEL   41
    1   1H    LYS   1           HT1      LYS   1  -7.315  -4.371  -7.041
    2   2H    LYS   1           HT2      LYS   1  -6.751  -5.445  -8.230
    3   3H    LYS   1           HT3      LYS   1  -6.653  -5.868  -6.589
    4    HA   LYS   1           HA       LYS   1  -8.875  -6.026  -8.428
    5   1HB   LYS   1           HB1      LYS   1  -9.455  -7.917  -6.999
    6   2HB   LYS   1           HB2      LYS   1  -8.412  -7.335  -5.707
    7   1HG   LYS   1           HG1      LYS   1  -6.429  -7.681  -7.135
    8   2HG   LYS   1           HG2      LYS   1  -7.462  -8.233  -8.449
    9   1HD   LYS   1           HD1      LYS   1  -8.052  -9.661  -5.980
   10   2HD   LYS   1           HD2      LYS   1  -6.355  -9.825  -6.418
   11   1HE   LYS   1           HE1      LYS   1  -6.953 -10.613  -8.644
   12   2HE   LYS   1           HE2      LYS   1  -8.657 -10.297  -8.340
   13   1HZ   LYS   1           HZ1      LYS   1  -8.591 -12.488  -7.857
   14   2HZ   LYS   1           HZ2      LYS   1  -8.174 -11.893  -6.321
   15   3HZ   LYS   1           HZ3      LYS   1  -6.965 -12.465  -7.369
   16    OH   TYR   2           OH       TYR   2  -5.886   0.342  -6.191
   17    H    TYR   2           HN       TYR   2  -9.882  -3.986  -8.182
   18    HA   TYR   2           HA       TYR   2 -10.899  -3.297  -5.487
   19   1HB   TYR   2           HB1      TYR   2 -11.773  -1.264  -6.661
   20   2HB   TYR   2           HB2      TYR   2 -11.216  -1.919  -8.197
   21    HD1  TYR   2           HD2      TYR   2 -10.071  -0.760  -4.861
   22    HD2  TYR   2           HD1      TYR   2  -8.917  -1.733  -8.836
   23    HE1  TYR   2           HE2      TYR   2  -7.862   0.227  -4.462
   24    HE2  TYR   2           HE1      TYR   2  -6.703  -0.760  -8.432
   25    HH   TYR   2           HH       TYR   2  -5.787   0.470  -5.244
   26    H    ILE   3           HN       ILE   3 -12.005  -5.613  -6.077
   27    HA   ILE   3           HA       ILE   3 -14.788  -4.911  -6.931
   28    HB   ILE   3           HB       ILE   3 -13.470  -7.648  -7.220
   29   1HG1  ILE   3          HG11      ILE   3 -12.203  -6.046  -8.579
   30   2HG1  ILE   3          HG12      ILE   3 -13.694  -5.417  -9.273
   31   1HG2  ILE   3          HG21      ILE   3 -15.412  -8.192  -8.469
   32   2HG2  ILE   3          HG22      ILE   3 -15.733  -6.513  -8.889
   33   3HG2  ILE   3          HG23      ILE   3 -16.087  -7.097  -7.267
   34   1HD1  ILE   3           HD1      ILE   3 -14.120  -7.418 -10.463
   35   2HD1  ILE   3           HD2      ILE   3 -13.020  -8.356  -9.458
   36   3HD1  ILE   3           HD3      ILE   3 -12.380  -7.208 -10.631
   37    H    CYS   4           HN       CYS   4 -16.391  -5.504  -5.551
   38    HA   CYS   4           HA       CYS   4 -15.610  -6.423  -2.940
   39   1HB   CYS   4           HB1      CYS   4 -17.526  -4.874  -3.359
   40   2HB   CYS   4           HB2      CYS   4 -18.362  -6.196  -4.102
   41    H    GLU   5           HN       GLU   5 -15.003  -8.445  -2.670
   42    HA   GLU   5           HA       GLU   5 -15.781 -10.637  -4.257
   43   1HB   GLU   5           HB1      GLU   5 -14.870 -12.024  -2.430
   44   2HB   GLU   5           HB2      GLU   5 -15.033 -10.689  -1.295
   45   1HG   GLU   5           HG1      GLU   5 -13.272  -9.474  -2.273
   46   2HG   GLU   5           HG2      GLU   5 -13.400 -10.338  -3.804
   47    H    GLU   6           HN       GLU   6 -17.544  -8.918  -1.914
   48    HA   GLU   6           HA       GLU   6 -19.351 -11.151  -1.355
   49   1HB   GLU   6           HB1      GLU   6 -19.788  -8.283  -0.475
   50   2HB   GLU   6           HB2      GLU   6 -18.556  -9.263   0.308
   51   1HG   GLU   6           HG1      GLU   6 -20.659  -9.458   1.554
   52   2HG   GLU   6           HG2      GLU   6 -20.291 -11.001   0.790
   53    H    CYS   7           HN       CYS   7 -19.964  -7.760  -2.288
   54    HA   CYS   7           HA       CYS   7 -22.515  -8.414  -3.469
   55   1HB   CYS   7           HB1      CYS   7 -22.411  -6.112  -4.352
   56   2HB   CYS   7           HB2      CYS   7 -20.719  -6.023  -4.004
   57    H    GLY   8           HN       GLY   8 -19.453  -7.374  -4.920
   58   1HA   GLY   8           HA1      GLY   8 -20.219  -8.831  -7.419
   59   2HA   GLY   8           HA2      GLY   8 -18.558  -8.686  -6.847
   60    H    ILE   9           HN       ILE   9 -19.597  -5.848  -5.992
   61    HA   ILE   9           HA       ILE   9 -20.101  -4.361  -8.343
   62    HB   ILE   9           HB       ILE   9 -20.282  -3.627  -5.872
   63   1HG1  ILE   9          HG11      ILE   9 -19.203  -2.008  -8.146
   64   2HG1  ILE   9          HG12      ILE   9 -19.262  -1.255  -6.556
   65   1HG2  ILE   9          HG21      ILE   9 -17.406  -2.737  -6.274
   66   2HG2  ILE   9          HG22      ILE   9 -17.742  -4.328  -5.607
   67   3HG2  ILE   9          HG23      ILE   9 -18.304  -2.888  -4.768
   68   1HD1  ILE   9           HD1      ILE   9 -21.657  -2.735  -7.643
   69   2HD1  ILE   9           HD2      ILE   9 -21.364  -1.058  -8.090
   70   3HD1  ILE   9           HD3      ILE   9 -21.609  -1.489  -6.400
   71    NH1  ARG  10           NH1      ARG  10 -15.431  -7.126 -15.351
   72    NH2  ARG  10           NH2      ARG  10 -17.322  -7.838 -14.284
   73    H    ARG  10           HN       ARG  10 -18.798  -3.347  -9.803
   74    HA   ARG  10           HA       ARG  10 -15.897  -4.064  -9.693
   75   1HB   ARG  10           HB1      ARG  10 -17.582  -3.315 -12.126
   76   2HB   ARG  10           HB2      ARG  10 -17.367  -4.973 -11.586
   77   1HG   ARG  10           HG1      ARG  10 -14.772  -3.786 -11.696
   78   2HG   ARG  10           HG2      ARG  10 -15.595  -3.370 -13.192
   79   1HD   ARG  10           HD1      ARG  10 -15.385  -6.179 -12.053
   80   2HD   ARG  10           HD2      ARG  10 -14.408  -5.549 -13.378
   81    HE   ARG  10           HE       ARG  10 -17.198  -5.196 -13.974
   82   1HH1  ARG  10          HH11      ARG  10 -14.743  -6.414 -15.490
   83   2HH1  ARG  10          HH12      ARG  10 -15.377  -7.982 -15.866
   84   1HH2  ARG  10          HH21      ARG  10 -18.051  -7.659 -13.622
   85   2HH2  ARG  10          HH22      ARG  10 -17.301  -8.705 -14.780
   86    H    ABA  11           HN       ABU  11 -14.880  -2.314  -8.854
   87    HA   ABA  11           HA       ABU  11 -15.307   0.293 -10.265
   88   1HB   ABA  11           HB1      ABU  11 -15.112   1.453  -8.147
   89   2HB   ABA  11           HB2      ABU  11 -14.626  -0.008  -7.315
   90   1HG   ABA  11           HG1      ABU  11 -16.856  -0.993  -7.731
   91   2HG   ABA  11           HG2      ABU  11 -17.344   0.472  -8.574
   92   3HG   ABA  11           HG3      ABU  11 -16.997   0.523  -6.849
   93    H    LYS  12           HN       LYS  12 -13.485  -0.302 -11.543
   94    HA   LYS  12           HA       LYS  12 -10.970  -1.111 -10.725
   95   1HB   LYS  12           HB1      LYS  12 -10.121   0.011 -12.740
   96   2HB   LYS  12           HB2      LYS  12 -11.515   1.082 -12.775
   97   1HG   LYS  12           HG1      LYS  12 -13.010  -0.765 -13.237
   98   2HG   LYS  12           HG2      LYS  12 -11.726  -1.938 -12.970
   99   1HD   LYS  12           HD1      LYS  12 -11.087   0.130 -14.983
  100   2HD   LYS  12           HD2      LYS  12 -12.418  -0.930 -15.433
  101   1HE   LYS  12           HE1      LYS  12  -9.824  -2.035 -14.340
  102   2HE   LYS  12           HE2      LYS  12 -10.025  -1.700 -16.055
  103   1HZ   LYS  12           HZ1      LYS  12 -10.949  -3.686 -16.205
  104   2HZ   LYS  12           HZ2      LYS  12 -12.277  -3.083 -15.335
  105   3HZ   LYS  12           HZ3      LYS  12 -11.015  -3.874 -14.518
  106    H    LYS  13           HN       LYS  13 -12.489   1.892  -9.971
  107    HA   LYS  13           HA       LYS  13  -9.888   3.108  -9.262
  108   1HB   LYS  13           HB1      LYS  13 -11.207   5.179  -8.931
  109   2HB   LYS  13           HB2      LYS  13 -12.702   4.268  -9.117
  110   1HG   LYS  13           HG1      LYS  13 -12.017   3.639 -11.421
  111   2HG   LYS  13           HG2      LYS  13 -10.545   4.586 -11.233
  112   1HD   LYS  13           HD1      LYS  13 -11.889   6.185 -12.233
  113   2HD   LYS  13           HD2      LYS  13 -12.297   6.487 -10.547
  114   1HE   LYS  13           HE1      LYS  13 -14.425   6.262 -11.470
  115   2HE   LYS  13           HE2      LYS  13 -14.111   4.604 -10.974
  116   1HZ   LYS  13           HZ1      LYS  13 -13.016   4.762 -13.457
  117   2HZ   LYS  13           HZ2      LYS  13 -14.430   5.690 -13.597
  118   3HZ   LYS  13           HZ3      LYS  13 -14.522   4.077 -13.072
  119    HA   PRO  14           HA       PRO  14 -10.348   2.027  -4.957
  120   1HB   PRO  14           HB1      PRO  14  -8.313   2.821  -4.223
  121   2HB   PRO  14           HB2      PRO  14  -9.076   4.382  -3.920
  122   1HG   PRO  14           HG1      PRO  14  -7.102   3.844  -5.887
  123   2HG   PRO  14           HG2      PRO  14  -8.076   5.310  -5.769
  124   1HD   PRO  14           HD1      PRO  14  -9.059   4.707  -7.750
  125   2HD   PRO  14           HD2      PRO  14  -8.279   3.113  -7.691
  126    H    SER  15           HN       SER  15 -10.393   5.589  -5.035
  127    HA   SER  15           HA       SER  15 -12.055   6.319  -3.069
  128   1HB   SER  15           HB1      SER  15 -11.264   7.755  -5.097
  129   2HB   SER  15           HB2      SER  15 -12.866   8.168  -4.453
  130    HG   SER  15           HG1      SER  15 -12.485   7.583  -6.861
  131    H    MET  16           HN       MET  16 -13.351   4.976  -6.100
  132    HA   MET  16           HA       MET  16 -16.078   5.025  -5.191
  133   1HB   MET  16           HB1      MET  16 -16.254   3.183  -7.072
  134   2HB   MET  16           HB2      MET  16 -14.562   3.566  -7.375
  135   1HG   MET  16           HG1      MET  16 -15.678   5.019  -8.812
  136   2HG   MET  16           HG2      MET  16 -15.312   6.018  -7.430
  137   1HE   MET  16           HE1      MET  16 -19.256   5.029  -9.322
  138   2HE   MET  16           HE2      MET  16 -17.874   3.934  -9.291
  139   3HE   MET  16           HE3      MET  16 -17.730   5.515 -10.061
  140    H    LEU  17           HN       LEU  17 -13.660   2.402  -5.359
  141    HA   LEU  17           HA       LEU  17 -15.381   0.479  -4.086
  142   1HB   LEU  17           HB1      LEU  17 -12.340   0.444  -3.992
  143   2HB   LEU  17           HB2      LEU  17 -13.190   0.127  -5.487
  144    HG   LEU  17           HG       LEU  17 -12.591  -1.974  -4.270
  145   1HD1  LEU  17          HD11      LEU  17 -12.923  -0.852  -1.980
  146   2HD1  LEU  17          HD12      LEU  17 -13.453  -2.520  -2.146
  147   3HD1  LEU  17          HD13      LEU  17 -14.629  -1.219  -2.178
  148   1HD2  LEU  17          HD21      LEU  17 -14.798  -1.619  -5.672
  149   2HD2  LEU  17          HD22      LEU  17 -15.598  -1.815  -4.125
  150   3HD2  LEU  17          HD23      LEU  17 -14.575  -3.097  -4.755
  151    H    LYS  18           HN       LYS  18 -12.527   2.248  -2.888
  152    HA   LYS  18           HA       LYS  18 -12.382   1.602  -0.268
  153   1HB   LYS  18           HB1      LYS  18 -11.982   4.121   0.186
  154   2HB   LYS  18           HB2      LYS  18 -12.396   4.391  -1.502
  155   1HG   LYS  18           HG1      LYS  18 -10.600   2.811  -2.180
  156   2HG   LYS  18           HG2      LYS  18 -10.166   2.593  -0.490
  157   1HD   LYS  18           HD1      LYS  18 -10.126   5.244  -1.979
  158   2HD   LYS  18           HD2      LYS  18  -8.706   4.273  -1.609
  159   1HE   LYS  18           HE1      LYS  18  -9.686   4.426   0.871
  160   2HE   LYS  18           HE2      LYS  18 -10.433   5.884   0.233
  161   1HZ   LYS  18           HZ1      LYS  18  -8.065   6.360  -0.636
  162   2HZ   LYS  18           HZ2      LYS  18  -7.584   5.251   0.556
  163   3HZ   LYS  18           HZ3      LYS  18  -8.433   6.655   0.996
  164    H    LYS  19           HN       LYS  19 -14.751   3.939  -1.526
  165    HA   LYS  19           HA       LYS  19 -16.057   4.263   1.001
  166   1HB   LYS  19           HB1      LYS  19 -17.983   5.007  -0.734
  167   2HB   LYS  19           HB2      LYS  19 -16.640   4.959  -1.872
  168   1HG   LYS  19           HG1      LYS  19 -15.345   6.478  -0.415
  169   2HG   LYS  19           HG2      LYS  19 -16.677   6.518   0.734
  170   1HD   LYS  19           HD1      LYS  19 -18.131   7.584  -0.874
  171   2HD   LYS  19           HD2      LYS  19 -16.968   7.335  -2.172
  172   1HE   LYS  19           HE1      LYS  19 -15.652   9.092  -1.504
  173   2HE   LYS  19           HE2      LYS  19 -15.948   8.796   0.204
  174   1HZ   LYS  19           HZ1      LYS  19 -17.694  10.166   0.229
  175   2HZ   LYS  19           HZ2      LYS  19 -18.251   9.681  -1.300
  176   3HZ   LYS  19           HZ3      LYS  19 -17.000  10.821  -1.176
  177    H    HIS  20           HN       HIS  20 -16.578   2.180  -1.786
  178    HA   HIS  20           HA       HIS  20 -19.104   1.129  -1.057
  179   1HB   HIS  20           HB1      HIS  20 -16.783  -0.283  -2.441
  180   2HB   HIS  20           HB2      HIS  20 -18.006   0.677  -3.265
  181    HD1  HIS  20           HD1      HIS  20 -19.956  -0.726  -3.942
  182    HD2  HIS  20           HD2      HIS  20 -17.869  -2.526  -0.948
  183    HE1  HIS  20           HE1      HIS  20 -21.047  -2.890  -3.596
  184    H    ILE  21           HN       ILE  21 -15.835  -0.113  -0.323
  185    HA   ILE  21           HA       ILE  21 -16.784  -2.309   1.232
  186    HB   ILE  21           HB       ILE  21 -14.322  -1.630   0.345
  187   1HG1  ILE  21          HG11      ILE  21 -15.123  -3.296   2.736
  188   2HG1  ILE  21          HG12      ILE  21 -13.442  -3.207   2.226
  189   1HG2  ILE  21          HG21      ILE  21 -14.324   0.272   2.144
  190   2HG2  ILE  21          HG22      ILE  21 -12.907  -0.752   2.090
  191   3HG2  ILE  21          HG23      ILE  21 -14.128  -1.006   3.330
  192   1HD1  ILE  21           HD1      ILE  21 -15.269  -4.984   1.206
  193   2HD1  ILE  21           HD2      ILE  21 -13.818  -4.466   0.358
  194   3HD1  ILE  21           HD3      ILE  21 -15.358  -3.688   0.021
  195    NH1  ARG  22           NH1      ARG  22 -14.793   6.608   5.567
  196    NH2  ARG  22           NH2      ARG  22 -12.588   6.292   6.075
  197    H    ARG  22           HN       ARG  22 -16.325   1.055   1.992
  198    HA   ARG  22           HA       ARG  22 -16.538   0.651   4.880
  199   1HB   ARG  22           HB1      ARG  22 -17.082   3.224   4.706
  200   2HB   ARG  22           HB2      ARG  22 -16.692   3.041   2.999
  201   1HG   ARG  22           HG1      ARG  22 -14.485   2.057   3.653
  202   2HG   ARG  22           HG2      ARG  22 -14.876   2.375   5.339
  203   1HD   ARG  22           HD1      ARG  22 -15.382   4.796   3.971
  204   2HD   ARG  22           HD2      ARG  22 -13.844   4.205   3.344
  205    HE   ARG  22           HE       ARG  22 -13.518   3.893   6.044
  206   1HH1  ARG  22          HH11      ARG  22 -15.667   6.222   5.271
  207   2HH1  ARG  22          HH12      ARG  22 -14.719   7.585   5.768
  208   1HH2  ARG  22          HH21      ARG  22 -11.809   5.671   6.159
  209   2HH2  ARG  22          HH22      ARG  22 -12.477   7.264   6.285
  210    H    THR  23           HN       THR  23 -18.759   0.735   2.275
  211    HA   THR  23           HA       THR  23 -20.993   1.676   3.896
  212    HB   THR  23           HB       THR  23 -21.319   0.054   1.326
  213    HG1  THR  23           HG1      THR  23 -20.366   2.707   1.744
  214   1HG2  THR  23          HG21      THR  23 -22.497   2.772   1.863
  215   2HG2  THR  23          HG22      THR  23 -23.120   1.474   2.878
  216   3HG2  THR  23          HG23      THR  23 -23.274   1.374   1.126
  217    H    HIS  24           HN       HIS  24 -19.277  -1.179   3.855
  218    HA   HIS  24           HA       HIS  24 -21.632  -2.890   4.443
  219   1HB   HIS  24           HB1      HIS  24 -19.628  -4.596   4.847
  220   2HB   HIS  24           HB2      HIS  24 -18.656  -3.368   4.044
  221    HD1  HIS  24           HD1      HIS  24 -21.906  -5.120   3.262
  222    HD2  HIS  24           HD2      HIS  24 -18.585  -3.724   1.352
  223    HE1  HIS  24           HE1      HIS  24 -22.207  -5.697   0.871
  224    H    THR  25           HN       THR  25 -19.951  -0.679   6.126
  225    HA   THR  25           HA       THR  25 -19.551  -2.277   8.578
  226    HB   THR  25           HB       THR  25 -19.049   0.228   9.417
  227    HG1  THR  25           HG1      THR  25 -18.382   1.220   7.253
  228   1HG2  THR  25          HG21      THR  25 -17.079  -1.135   9.026
  229   2HG2  THR  25          HG22      THR  25 -16.880   0.214   7.913
  230   3HG2  THR  25          HG23      THR  25 -17.478  -1.332   7.322
  231    H    ASP  26           HN       ASP  26 -20.746   0.919   8.852
  232    HA   ASP  26           HA       ASP  26 -23.515   0.128   9.325
  233   1HB   ASP  26           HB1      ASP  26 -23.338   1.087  11.749
  234   2HB   ASP  26           HB2      ASP  26 -21.599   0.864  11.581
  235    H    VAL  27           HN       VAL  27 -21.937   1.923   7.721
  236    HA   VAL  27           HA       VAL  27 -22.681   4.590   8.757
  237    HB   VAL  27           HB       VAL  27 -20.444   4.330   7.817
  238   1HG1  VAL  27          HG11      VAL  27 -21.904   3.185   5.433
  239   2HG1  VAL  27          HG12      VAL  27 -20.743   2.368   6.473
  240   3HG1  VAL  27          HG13      VAL  27 -20.207   3.648   5.393
  241   1HG2  VAL  27          HG21      VAL  27 -20.479   6.292   6.665
  242   2HG2  VAL  27          HG22      VAL  27 -22.213   6.272   6.971
  243   3HG2  VAL  27          HG23      VAL  27 -21.580   5.656   5.447
  244    NH1  ARG  28           NH1      ARG  28 -24.854  -2.280   6.638
  245    NH2  ARG  28           NH2      ARG  28 -25.461  -1.110   8.505
  246    H    ARG  28           HN       ARG  28 -24.878   3.095   8.219
  247    HA   ARG  28           HA       ARG  28 -25.982   4.284   5.699
  248   1HB   ARG  28           HB1      ARG  28 -27.637   2.293   5.934
  249   2HB   ARG  28           HB2      ARG  28 -26.518   1.650   7.131
  250   1HG   ARG  28           HG1      ARG  28 -24.762   2.199   5.158
  251   2HG   ARG  28           HG2      ARG  28 -26.192   1.904   4.181
  252   1HD   ARG  28           HD1      ARG  28 -24.968  -0.202   4.528
  253   2HD   ARG  28           HD2      ARG  28 -26.523  -0.269   5.356
  254    HE   ARG  28           HE       ARG  28 -24.252   0.644   6.998
  255   1HH1  ARG  28          HH11      ARG  28 -24.546  -2.274   5.686
  256   2HH1  ARG  28          HH12      ARG  28 -25.005  -3.149   7.109
  257   1HH2  ARG  28          HH21      ARG  28 -25.608  -0.229   8.953
  258   2HH2  ARG  28          HH22      ARG  28 -25.622  -1.960   9.007
  259    HA   PRO  29           HA       PRO  29 -28.136   6.113   9.412
  260   1HB   PRO  29           HB1      PRO  29 -27.715   8.352   9.171
  261   2HB   PRO  29           HB2      PRO  29 -28.694   8.417   7.705
  262   1HG   PRO  29           HG1      PRO  29 -25.779   8.368   7.938
  263   2HG   PRO  29           HG2      PRO  29 -26.757   8.623   6.492
  264   1HD   PRO  29           HD1      PRO  29 -26.397   6.487   5.803
  265   2HD   PRO  29           HD2      PRO  29 -25.263   6.284   7.149
  266    OH   TYR  30           OH       TYR  30 -29.963  10.500   2.895
  267    H    TYR  30           HN       TYR  30 -29.091   5.247   6.263
  268    HA   TYR  30           HA       TYR  30 -31.898   6.081   6.704
  269   1HB   TYR  30           HB1      TYR  30 -32.233   5.009   4.424
  270   2HB   TYR  30           HB2      TYR  30 -30.530   4.580   4.419
  271    HD1  TYR  30           HD1      TYR  30 -32.760   7.548   4.881
  272    HD2  TYR  30           HD2      TYR  30 -28.981   6.129   3.537
  273    HE1  TYR  30           HE1      TYR  30 -32.204   9.792   4.070
  274    HE2  TYR  30           HE2      TYR  30 -28.420   8.379   2.743
  275    HH   TYR  30           HH       TYR  30 -29.012  10.544   2.771
  276    H    HIS  31           HN       HIS  31 -31.824   4.636   8.697
  277    HA   HIS  31           HA       HIS  31 -32.071   1.750   8.152
  278   1HB   HIS  31           HB1      HIS  31 -32.470   1.637  10.642
  279   2HB   HIS  31           HB2      HIS  31 -32.445   3.396  10.702
  280    HD1  HIS  31           HD1      HIS  31 -30.226   0.584  10.670
  281    HD2  HIS  31           HD2      HIS  31 -29.874   4.563   9.967
  282    HE1  HIS  31           HE1      HIS  31 -27.843   1.027  10.777
  283    H    CYS  32           HN       CYS  32 -33.957   0.678   7.838
  284    HA   CYS  32           HA       CYS  32 -36.396   2.078   7.440
  285   1HB   CYS  32           HB1      CYS  32 -35.681  -0.828   7.922
  286   2HB   CYS  32           HB2      CYS  32 -36.266  -0.084   6.455
  287    H    THR  33           HN       THR  33 -38.054   2.603   8.779
  288    HA   THR  33           HA       THR  33 -37.600   2.792  11.582
  289    HB   THR  33           HB       THR  33 -40.290   2.784  10.079
  290    HG1  THR  33           HG1      THR  33 -38.197   4.265   9.794
  291   1HG2  THR  33          HG21      THR  33 -39.323   3.982  12.740
  292   2HG2  THR  33          HG22      THR  33 -40.610   2.794  12.554
  293   3HG2  THR  33          HG23      THR  33 -40.838   4.439  11.968
  294    OH   TYR  34           OH       TYR  34 -44.496   2.171   9.333
  295    H    TYR  34           HN       TYR  34 -38.859   0.229   9.642
  296    HA   TYR  34           HA       TYR  34 -39.830  -1.212  12.051
  297   1HB   TYR  34           HB1      TYR  34 -40.949  -2.705  10.468
  298   2HB   TYR  34           HB2      TYR  34 -40.038  -2.037   9.118
  299    HD1  TYR  34           HD2      TYR  34 -40.340   0.517   8.661
  300    HD2  TYR  34           HD1      TYR  34 -43.033  -1.757  11.043
  301    HE1  TYR  34           HE2      TYR  34 -42.062   2.229   8.346
  302    HE2  TYR  34           HE1      TYR  34 -44.759  -0.043  10.718
  303    HH   TYR  34           HH       TYR  34 -44.361   2.856   9.994
  304    H    CYS  35           HN       CYS  35 -38.292  -2.459   9.095
  305    HA   CYS  35           HA       CYS  35 -36.973  -4.592  10.467
  306   1HB   CYS  35           HB1      CYS  35 -35.859  -5.011   8.402
  307   2HB   CYS  35           HB2      CYS  35 -35.903  -3.337   7.936
  308    H    ASN  36           HN       ASN  36 -34.440  -4.715   9.769
  309    HA   ASN  36           HA       ASN  36 -33.163  -2.447  11.244
  310   1HB   ASN  36           HB1      ASN  36 -32.424  -5.408  11.007
  311   2HB   ASN  36           HB2      ASN  36 -32.950  -4.571  12.465
  312   1HD2  ASN  36          HD21      ASN  36 -31.336  -2.148  11.932
  313   2HD2  ASN  36          HD22      ASN  36 -29.718  -2.581  12.208
  314    H    PHE  37           HN       PHE  37 -33.601  -3.685   8.247
  315    HA   PHE  37           HA       PHE  37 -30.887  -3.515   7.219
  316   1HB   PHE  37           HB1      PHE  37 -33.326  -3.192   5.467
  317   2HB   PHE  37           HB2      PHE  37 -33.100  -4.735   6.291
  318    HD1  PHE  37           HD2      PHE  37 -30.593  -5.682   6.141
  319    HD2  PHE  37           HD1      PHE  37 -32.311  -2.935   3.380
  320    HE1  PHE  37           HE2      PHE  37 -28.935  -6.338   4.452
  321    HE2  PHE  37           HE1      PHE  37 -30.651  -3.594   1.694
  322    HZ   PHE  37           HZ       PHE  37 -28.963  -5.295   2.229
  323    H    SER  38           HN       SER  38 -29.844  -1.752   6.551
  324    HA   SER  38           HA       SER  38 -31.449   0.739   6.171
  325   1HB   SER  38           HB1      SER  38 -28.587   0.584   7.220
  326   2HB   SER  38           HB2      SER  38 -30.000   0.669   8.282
  327    HG   SER  38           HG1      SER  38 -29.483   2.458   6.142
  328    H    PHE  39           HN       PHE  39 -30.211   2.410   4.947
  329    HA   PHE  39           HA       PHE  39 -28.568   1.155   2.799
  330   1HB   PHE  39           HB1      PHE  39 -29.890   2.305   1.133
  331   2HB   PHE  39           HB2      PHE  39 -30.678   3.304   2.355
  332    HD1  PHE  39           HD2      PHE  39 -32.385   2.327   3.858
  333    HD2  PHE  39           HD1      PHE  39 -30.585  -0.016   0.789
  334    HE1  PHE  39           HE2      PHE  39 -34.113   0.607   4.152
  335    HE2  PHE  39           HE1      PHE  39 -32.335  -1.717   1.069
  336    HZ   PHE  39           HZ       PHE  39 -34.099  -1.405   2.752
  337    H    LYS  40           HN       LYS  40 -27.348   2.756   1.557
  338    HA   LYS  40           HA       LYS  40 -26.251   4.791   3.387
  339   1HB   LYS  40           HB1      LYS  40 -25.413   3.733   0.654
  340   2HB   LYS  40           HB2      LYS  40 -24.711   3.296   2.192
  341   1HG   LYS  40           HG1      LYS  40 -24.589   6.028   0.867
  342   2HG   LYS  40           HG2      LYS  40 -23.251   4.915   1.098
  343   1HD   LYS  40           HD1      LYS  40 -23.899   5.061   3.628
  344   2HD   LYS  40           HD2      LYS  40 -24.708   6.547   3.159
  345   1HE   LYS  40           HE1      LYS  40 -21.778   5.871   3.035
  346   2HE   LYS  40           HE2      LYS  40 -22.551   7.303   3.700
  347   1HZ   LYS  40           HZ1      LYS  40 -22.740   6.707   0.823
  348   2HZ   LYS  40           HZ2      LYS  40 -21.360   7.469   1.456
  349   3HZ   LYS  40           HZ3      LYS  40 -22.884   8.200   1.620
  350    H    THR  41           HN       THR  41 -28.459   4.587   0.831
  351    HA   THR  41           HA       THR  41 -28.389   7.556   0.554
  352    HB   THR  41           HB       THR  41 -28.582   7.387  -1.859
  353    HG1  THR  41           HG1      THR  41 -29.296   5.499  -2.747
  354   1HG2  THR  41          HG21      THR  41 -26.293   6.504  -0.919
  355   2HG2  THR  41          HG22      THR  41 -26.713   5.938  -2.533
  356   3HG2  THR  41          HG23      THR  41 -26.953   4.886  -1.141
  357    H    LYS  42           HN       LYS  42 -30.376   8.501  -0.091
  358    HA   LYS  42           HA       LYS  42 -32.630   7.295   1.203
  359   1HB   LYS  42           HB1      LYS  42 -32.749   9.600  -0.774
  360   2HB   LYS  42           HB2      LYS  42 -32.093   9.821   0.845
  361   1HG   LYS  42           HG1      LYS  42 -34.150   9.718   1.817
  362   2HG   LYS  42           HG2      LYS  42 -34.671   8.391   0.786
  363   1HD   LYS  42           HD1      LYS  42 -35.231   9.878  -1.006
  364   2HD   LYS  42           HD2      LYS  42 -34.395  11.226  -0.242
  365   1HE   LYS  42           HE1      LYS  42 -36.882   9.841   0.816
  366   2HE   LYS  42           HE2      LYS  42 -36.824  11.441   0.087
  367   1HZ   LYS  42           HZ1      LYS  42 -35.046  11.814   1.952
  368   2HZ   LYS  42           HZ2      LYS  42 -35.898  10.559   2.714
  369   3HZ   LYS  42           HZ3      LYS  42 -36.705  11.985   2.269
  370    H    GLY  43           HN       GLY  43 -31.307   6.984  -1.894
  371   1HA   GLY  43           HA1      GLY  43 -32.085   5.901  -3.829
  372   2HA   GLY  43           HA2      GLY  43 -33.662   6.598  -3.468
  373    H    ASN  44           HN       ASN  44 -31.502   3.926  -2.625
  374    HA   ASN  44           HA       ASN  44 -33.292   1.850  -2.924
  375   1HB   ASN  44           HB1      ASN  44 -31.918   0.776  -0.949
  376   2HB   ASN  44           HB2      ASN  44 -31.001   2.280  -0.976
  377   1HD2  ASN  44          HD21      ASN  44 -29.075   1.211  -1.800
  378   2HD2  ASN  44          HD22      ASN  44 -28.987   0.649  -3.399
  379    H    LEU  45           HN       LEU  45 -32.885   3.880  -0.056
  380    HA   LEU  45           HA       LEU  45 -34.585   2.504   1.705
  381   1HB   LEU  45           HB1      LEU  45 -34.147   5.514   1.320
  382   2HB   LEU  45           HB2      LEU  45 -33.241   4.464   2.387
  383    HG   LEU  45           HG       LEU  45 -34.768   5.587   3.824
  384   1HD1  LEU  45          HD11      LEU  45 -36.823   6.375   3.242
  385   2HD1  LEU  45          HD12      LEU  45 -37.314   4.861   2.503
  386   3HD1  LEU  45          HD13      LEU  45 -36.343   6.005   1.595
  387   1HD2  LEU  45          HD21      LEU  45 -36.237   3.002   3.226
  388   2HD2  LEU  45          HD22      LEU  45 -36.055   3.815   4.773
  389   3HD2  LEU  45          HD23      LEU  45 -34.668   3.041   4.018
  390    H    THR  46           HN       THR  46 -35.427   5.065  -0.614
  391    HA   THR  46           HA       THR  46 -38.211   5.109  -0.078
  392    HB   THR  46           HB       THR  46 -36.860   5.543  -2.809
  393    HG1  THR  46           HG1      THR  46 -36.169   7.367  -1.945
  394   1HG2  THR  46          HG21      THR  46 -39.197   7.014  -1.482
  395   2HG2  THR  46          HG22      THR  46 -39.475   5.638  -2.545
  396   3HG2  THR  46          HG23      THR  46 -38.712   7.096  -3.172
  397    H    LYS  47           HN       LYS  47 -36.289   2.987  -2.122
  398    HA   LYS  47           HA       LYS  47 -38.565   1.753  -3.408
  399   1HB   LYS  47           HB1      LYS  47 -36.850  -0.049  -3.969
  400   2HB   LYS  47           HB2      LYS  47 -35.687   0.822  -2.976
  401   1HG   LYS  47           HG1      LYS  47 -35.995   2.837  -4.390
  402   2HG   LYS  47           HG2      LYS  47 -37.141   1.960  -5.393
  403   1HD   LYS  47           HD1      LYS  47 -34.224   1.204  -4.973
  404   2HD   LYS  47           HD2      LYS  47 -34.874   1.977  -6.412
  405   1HE   LYS  47           HE1      LYS  47 -35.222  -0.845  -5.452
  406   2HE   LYS  47           HE2      LYS  47 -34.916  -0.253  -7.079
  407   1HZ   LYS  47           HZ1      LYS  47 -37.447  -0.454  -5.624
  408   2HZ   LYS  47           HZ2      LYS  47 -37.091  -0.835  -7.239
  409   3HZ   LYS  47           HZ3      LYS  47 -37.271   0.788  -6.769
  410    H    HIS  48           HN       HIS  48 -36.972   1.294  -0.357
  411    HA   HIS  48           HA       HIS  48 -38.169  -1.357   0.057
  412   1HB   HIS  48           HB1      HIS  48 -36.702   0.547   1.956
  413   2HB   HIS  48           HB2      HIS  48 -35.993  -0.832   1.122
  414    HD1  HIS  48           HD1      HIS  48 -37.235  -3.151   1.824
  415    HD2  HIS  48           HD2      HIS  48 -37.747  -0.059   4.450
  416    HE1  HIS  48           HE1      HIS  48 -37.987  -4.188   3.908
  417    H    MET  49           HN       MET  49 -38.987   1.940   0.624
  418    HA   MET  49           HA       MET  49 -41.103   1.194   2.561
  419   1HB   MET  49           HB1      MET  49 -41.481   3.739   2.534
  420   2HB   MET  49           HB2      MET  49 -40.098   3.855   1.451
  421   1HG   MET  49           HG1      MET  49 -39.426   4.219   3.780
  422   2HG   MET  49           HG2      MET  49 -38.663   2.805   3.105
  423   1HE   MET  49           HE1      MET  49 -38.005   2.812   5.794
  424   2HE   MET  49           HE2      MET  49 -39.207   2.551   7.056
  425   3HE   MET  49           HE3      MET  49 -39.211   4.053   6.131
  426    H    LYS  50           HN       LYS  50 -40.674   2.133  -0.762
  427    HA   LYS  50           HA       LYS  50 -43.378   2.893  -1.319
  428   1HB   LYS  50           HB1      LYS  50 -41.464   1.503  -3.245
  429   2HB   LYS  50           HB2      LYS  50 -41.285   3.198  -2.804
  430   1HG   LYS  50           HG1      LYS  50 -43.143   3.842  -3.997
  431   2HG   LYS  50           HG2      LYS  50 -44.007   2.347  -3.659
  432   1HD   LYS  50           HD1      LYS  50 -43.381   2.502  -6.055
  433   2HD   LYS  50           HD2      LYS  50 -42.580   1.144  -5.275
  434   1HE   LYS  50           HE1      LYS  50 -40.497   2.207  -5.264
  435   2HE   LYS  50           HE2      LYS  50 -41.205   3.816  -5.337
  436   1HZ   LYS  50           HZ1      LYS  50 -40.901   3.772  -7.506
  437   2HZ   LYS  50           HZ2      LYS  50 -41.998   2.482  -7.632
  438   3HZ   LYS  50           HZ3      LYS  50 -40.339   2.172  -7.448
  439    H    SER  51           HN       SER  51 -41.692  -0.204  -1.833
  440    HA   SER  51           HA       SER  51 -43.745  -1.731  -2.884
  441   1HB   SER  51           HB1      SER  51 -41.826  -2.589  -0.647
  442   2HB   SER  51           HB2      SER  51 -41.463  -2.639  -2.383
  443    HG   SER  51           HG1      SER  51 -43.522  -4.001  -0.987
  444    H    LYS  52           HN       LYS  52 -45.070  -3.421  -1.732
  445    HA   LYS  52           HA       LYS  52 -46.811  -2.066   0.155
  446   1HB   LYS  52           HB1      LYS  52 -48.041  -4.267   0.127
  447   2HB   LYS  52           HB2      LYS  52 -46.719  -4.973  -0.796
  448   1HG   LYS  52           HG1      LYS  52 -47.625  -2.480  -2.000
  449   2HG   LYS  52           HG2      LYS  52 -48.950  -3.628  -1.844
  450   1HD   LYS  52           HD1      LYS  52 -47.722  -5.324  -3.047
  451   2HD   LYS  52           HD2      LYS  52 -46.249  -4.361  -3.011
  452   1HE   LYS  52           HE1      LYS  52 -48.769  -3.300  -4.292
  453   2HE   LYS  52           HE2      LYS  52 -47.662  -4.327  -5.191
  454   1HZ   LYS  52           HZ1      LYS  52 -47.365  -1.583  -4.355
  455   2HZ   LYS  52           HZ2      LYS  52 -46.654  -2.410  -5.657
  456   3HZ   LYS  52           HZ3      LYS  52 -45.988  -2.545  -4.100
  457    H    ALA  53           HN       ALA  53 -43.936  -2.839   0.864
  458    HA   ALA  53           HA       ALA  53 -43.902  -4.858   2.832
  459   1HB   ALA  53           HB1      ALA  53 -41.843  -3.724   2.077
  460   2HB   ALA  53           HB2      ALA  53 -41.989  -3.508   3.818
  461   3HB   ALA  53           HB3      ALA  53 -42.410  -2.190   2.729
  462    H    HIS  54           HN       HIS  54 -43.181  -1.920   4.375
  463    HA   HIS  54           HA       HIS  54 -45.809  -1.800   5.727
  464   1HB   HIS  54           HB1      HIS  54 -44.815  -3.234   7.283
  465   2HB   HIS  54           HB2      HIS  54 -44.268  -1.693   7.929
  466    HD1  HIS  54           HD1      HIS  54 -42.969  -4.780   6.723
  467    HD2  HIS  54           HD2      HIS  54 -41.533  -0.954   6.893
  468    HE1  HIS  54           HE1      HIS  54 -40.535  -4.981   6.508
  469    H    SER  55           HN       SER  55 -45.907   0.248   4.671
  470    HA   SER  55           HA       SER  55 -45.034   2.412   6.330
  471   1HB   SER  55           HB1      SER  55 -42.819   2.216   5.419
  472   2HB   SER  55           HB2      SER  55 -43.557   3.407   4.330
  473    HG   SER  55           HG1      SER  55 -44.233   0.881   3.645
  474    H    LYS  56           HN       LYS  56 -47.373   2.568   5.939
  475    HA   LYS  56           HA       LYS  56 -48.313   3.298   3.286
  476   1HB   LYS  56           HB1      LYS  56 -50.435   3.847   4.543
  477   2HB   LYS  56           HB2      LYS  56 -49.578   3.584   6.058
  478   1HG   LYS  56           HG1      LYS  56 -49.001   1.253   5.165
  479   2HG   LYS  56           HG2      LYS  56 -50.178   1.554   3.891
  480   1HD   LYS  56           HD1      LYS  56 -51.935   1.925   5.573
  481   2HD   LYS  56           HD2      LYS  56 -50.765   1.701   6.868
  482   1HE   LYS  56           HE1      LYS  56 -50.302  -0.606   5.919
  483   2HE   LYS  56           HE2      LYS  56 -51.668  -0.362   4.836
  484   1HZ   LYS  56           HZ1      LYS  56 -51.632  -0.935   7.662
  485   2HZ   LYS  56           HZ2      LYS  56 -52.825  -1.261   6.498
  486   3HZ   LYS  56           HZ3      LYS  56 -52.730   0.278   7.209
  487    H    LYS  57           HN       LYS  57 -49.556   5.350   5.672
  488    HA   LYS  57           HA       LYS  57 -48.861   7.701   4.246
  489   1HB   LYS  57           HB1      LYS  57 -49.675   8.869   6.358
  490   2HB   LYS  57           HB2      LYS  57 -49.735   7.298   7.143
  491   1HG   LYS  57           HG1      LYS  57 -51.962   7.708   6.353
  492   2HG   LYS  57           HG2      LYS  57 -51.266   6.529   5.251
  493   1HD   LYS  57           HD1      LYS  57 -50.643   9.192   4.304
  494   2HD   LYS  57           HD2      LYS  57 -52.370   9.065   4.594
  495   1HE   LYS  57           HE1      LYS  57 -50.733   7.086   2.976
  496   2HE   LYS  57           HE2      LYS  57 -51.752   8.346   2.291
  497   1HZ   LYS  57           HZ1      LYS  57 -53.221   6.861   4.179
  498   2HZ   LYS  57           HZ2      LYS  57 -52.504   5.798   3.064
  499   3HZ   LYS  57                 LYS  57 -53.507   7.055   2.516
   
  Start of MODEL          42
 Raw file had 499 H/Q atoms
  Start of MODEL   42
    1   1H    LYS   1           HT1      LYS   1  -7.917  -6.587  -9.417
    2   2H    LYS   1           HT2      LYS   1  -8.392  -6.193  -7.836
    3   3H    LYS   1           HT3      LYS   1  -8.588  -5.062  -9.087
    4    HA   LYS   1           HA       LYS   1 -10.198  -6.472 -10.173
    5   1HB   LYS   1           HB1      LYS   1 -10.307  -8.683  -9.598
    6   2HB   LYS   1           HB2      LYS   1 -10.772  -8.241  -7.959
    7   1HG   LYS   1           HG1      LYS   1  -8.388  -7.959  -7.356
    8   2HG   LYS   1           HG2      LYS   1  -7.921  -8.393  -8.996
    9   1HD   LYS   1           HD1      LYS   1  -8.907 -10.615  -8.732
   10   2HD   LYS   1           HD2      LYS   1  -9.519 -10.187  -7.139
   11   1HE   LYS   1           HE1      LYS   1  -7.223  -9.881  -6.314
   12   2HE   LYS   1           HE2      LYS   1  -6.584 -10.230  -7.915
   13   1HZ   LYS   1           HZ1      LYS   1  -8.234 -12.126  -6.346
   14   2HZ   LYS   1           HZ2      LYS   1  -6.536 -12.133  -6.362
   15   3HZ   LYS   1           HZ3      LYS   1  -7.400 -12.443  -7.791
   16    OH   TYR   2           OH       TYR   2  -8.518   0.015  -9.645
   17    H    TYR   2           HN       TYR   2 -11.827  -5.110  -9.943
   18    HA   TYR   2           HA       TYR   2 -12.533  -4.122  -7.245
   19   1HB   TYR   2           HB1      TYR   2 -13.980  -2.535  -8.511
   20   2HB   TYR   2           HB2      TYR   2 -13.610  -3.385 -10.008
   21    HD1  TYR   2           HD2      TYR   2 -12.054  -1.456  -7.230
   22    HD2  TYR   2           HD1      TYR   2 -11.602  -2.913 -11.199
   23    HE1  TYR   2           HE2      TYR   2 -10.025  -0.105  -7.494
   24    HE2  TYR   2           HE1      TYR   2  -9.572  -1.565 -11.463
   25    HH   TYR   2           HH       TYR   2  -8.713   0.905  -9.344
   26    H    ILE   3           HN       ILE   3 -13.107  -6.818  -7.671
   27    HA   ILE   3           HA       ILE   3 -16.062  -6.876  -8.054
   28    HB   ILE   3           HB       ILE   3 -13.847  -8.961  -8.113
   29   1HG1  ILE   3          HG11      ILE   3 -16.133  -8.281 -10.002
   30   2HG1  ILE   3          HG12      ILE   3 -14.899  -9.502 -10.288
   31   1HG2  ILE   3          HG21      ILE   3 -15.463 -10.154  -6.838
   32   2HG2  ILE   3          HG22      ILE   3 -15.960 -10.544  -8.481
   33   3HG2  ILE   3          HG23      ILE   3 -16.813  -9.302  -7.576
   34   1HD1  ILE   3           HD1      ILE   3 -14.640  -6.513 -10.289
   35   2HD1  ILE   3           HD2      ILE   3 -13.970  -7.689 -11.414
   36   3HD1  ILE   3           HD3      ILE   3 -13.244  -7.480  -9.824
   37    H    CYS   4           HN       CYS   4 -17.006  -6.346  -6.115
   38    HA   CYS   4           HA       CYS   4 -15.919  -6.766  -3.572
   39   1HB   CYS   4           HB1      CYS   4 -18.770  -6.690  -4.549
   40   2HB   CYS   4           HB2      CYS   4 -17.899  -5.456  -3.687
   41    H    GLU   5           HN       GLU   5 -15.344  -8.518  -2.573
   42    HA   GLU   5           HA       GLU   5 -15.844 -11.144  -3.509
   43   1HB   GLU   5           HB1      GLU   5 -14.867 -11.840  -1.309
   44   2HB   GLU   5           HB2      GLU   5 -15.029 -10.187  -0.728
   45   1HG   GLU   5           HG1      GLU   5 -13.682 -10.198  -3.290
   46   2HG   GLU   5           HG2      GLU   5 -12.853 -11.279  -2.172
   47    H    GLU   6           HN       GLU   6 -17.805  -9.088  -1.578
   48    HA   GLU   6           HA       GLU   6 -19.284 -11.336  -0.433
   49   1HB   GLU   6           HB1      GLU   6 -20.084  -8.416  -0.267
   50   2HB   GLU   6           HB2      GLU   6 -18.772  -9.044   0.721
   51   1HG   GLU   6           HG1      GLU   6 -21.466 -10.411   0.645
   52   2HG   GLU   6           HG2      GLU   6 -21.151  -9.075   1.749
   53    H    CYS   7           HN       CYS   7 -20.412  -8.407  -2.102
   54    HA   CYS   7           HA       CYS   7 -22.775  -9.807  -3.050
   55   1HB   CYS   7           HB1      CYS   7 -23.425  -7.722  -3.963
   56   2HB   CYS   7           HB2      CYS   7 -21.783  -7.191  -4.168
   57    H    GLY   8           HN       GLY   8 -19.877  -8.457  -4.598
   58   1HA   GLY   8           HA1      GLY   8 -20.364 -10.308  -6.894
   59   2HA   GLY   8           HA2      GLY   8 -18.783  -9.717  -6.408
   60    H    ILE   9           HN       ILE   9 -20.322  -7.021  -5.978
   61    HA   ILE   9           HA       ILE   9 -21.206  -6.112  -8.495
   62    HB   ILE   9           HB       ILE   9 -21.313  -4.964  -6.138
   63   1HG1  ILE   9          HG11      ILE   9 -21.014  -3.727  -8.834
   64   2HG1  ILE   9          HG12      ILE   9 -20.999  -2.636  -7.453
   65   1HG2  ILE   9          HG21      ILE   9 -19.515  -3.437  -5.613
   66   2HG2  ILE   9          HG22      ILE   9 -18.785  -3.609  -7.200
   67   3HG2  ILE   9          HG23      ILE   9 -18.702  -4.928  -6.040
   68   1HD1  ILE   9           HD1      ILE   9 -23.131  -3.549  -6.663
   69   2HD1  ILE   9           HD2      ILE   9 -23.129  -4.742  -7.957
   70   3HD1  ILE   9           HD3      ILE   9 -23.308  -3.032  -8.337
   71    NH1  ARG  10           NH2      ARG  10 -19.221  -7.330 -16.142
   72    NH2  ARG  10           NH1      ARG  10 -17.614  -8.952 -16.201
   73    H    ARG  10           HN       ARG  10 -20.179  -5.728 -10.338
   74    HA   ARG  10           HA       ARG  10 -17.205  -5.720 -10.307
   75   1HB   ARG  10           HB1      ARG  10 -19.172  -5.946 -12.636
   76   2HB   ARG  10           HB2      ARG  10 -18.452  -7.320 -11.807
   77   1HG   ARG  10           HG1      ARG  10 -16.195  -5.962 -12.387
   78   2HG   ARG  10           HG2      ARG  10 -17.205  -5.379 -13.704
   79   1HD   ARG  10           HD1      ARG  10 -16.460  -8.241 -13.057
   80   2HD   ARG  10           HD2      ARG  10 -16.172  -7.356 -14.554
   81    HE   ARG  10           HE       ARG  10 -18.902  -8.183 -13.645
   82   1HH1  ARG  10          HH21      ARG  10 -19.759  -6.675 -15.611
   83   2HH1  ARG  10          HH22      ARG  10 -19.362  -7.406 -17.130
   84   1HH2  ARG  10          HH11      ARG  10 -16.945  -9.513 -15.712
   85   2HH2  ARG  10          HH12      ARG  10 -17.726  -9.056 -17.189
   86    H    ABA  11           HN       ABU  11 -16.650  -3.629  -9.825
   87    HA   ABA  11           HA       ABU  11 -17.650  -1.523 -11.719
   88   1HB   ABA  11           HB1      ABU  11 -17.184   0.101  -9.926
   89   2HB   ABA  11           HB2      ABU  11 -16.499  -1.154  -8.917
   90   1HG   ABA  11           HG1      ABU  11 -18.573  -1.432  -8.044
   91   2HG   ABA  11           HG2      ABU  11 -19.038  -2.129  -9.591
   92   3HG   ABA  11           HG3      ABU  11 -19.296  -0.416  -9.287
   93    H    LYS  12           HN       LYS  12 -16.087  -1.655 -13.269
   94    HA   LYS  12           HA       LYS  12 -13.334  -2.069 -12.858
   95   1HB   LYS  12           HB1      LYS  12 -13.070  -1.209 -15.140
   96   2HB   LYS  12           HB2      LYS  12 -14.610  -0.363 -15.040
   97   1HG   LYS  12           HG1      LYS  12 -15.837  -2.432 -14.960
   98   2HG   LYS  12           HG2      LYS  12 -14.365  -3.368 -14.727
   99   1HD   LYS  12           HD1      LYS  12 -13.655  -3.037 -16.951
  100   2HD   LYS  12           HD2      LYS  12 -14.699  -1.639 -17.175
  101   1HE   LYS  12           HE1      LYS  12 -15.395  -3.959 -18.213
  102   2HE   LYS  12           HE2      LYS  12 -16.616  -2.945 -17.454
  103   1HZ   LYS  12           HZ1      LYS  12 -16.135  -4.219 -15.361
  104   2HZ   LYS  12           HZ2      LYS  12 -15.256  -5.312 -16.319
  105   3HZ   LYS  12           HZ3      LYS  12 -16.917  -5.086 -16.595
  106    H    LYS  13           HN       LYS  13 -15.017   0.440 -11.595
  107    HA   LYS  13           HA       LYS  13 -12.693   2.292 -11.840
  108   1HB   LYS  13           HB1      LYS  13 -14.474   4.066 -11.202
  109   2HB   LYS  13           HB2      LYS  13 -15.665   2.806 -11.505
  110   1HG   LYS  13           HG1      LYS  13 -14.876   2.552 -13.802
  111   2HG   LYS  13           HG2      LYS  13 -13.568   3.693 -13.514
  112   1HD   LYS  13           HD1      LYS  13 -15.003   5.532 -13.452
  113   2HD   LYS  13           HD2      LYS  13 -16.391   4.561 -12.972
  114   1HE   LYS  13           HE1      LYS  13 -15.134   4.026 -15.641
  115   2HE   LYS  13           HE2      LYS  13 -16.149   5.452 -15.470
  116   1HZ   LYS  13           HZ1      LYS  13 -17.027   2.949 -15.979
  117   2HZ   LYS  13           HZ2      LYS  13 -17.980   4.223 -15.384
  118   3HZ   LYS  13           HZ3      LYS  13 -17.302   3.096 -14.309
  119    HA   PRO  14           HA       PRO  14 -12.152   1.735  -7.440
  120   1HB   PRO  14           HB1      PRO  14 -10.172   2.897  -7.218
  121   2HB   PRO  14           HB2      PRO  14 -11.110   4.366  -6.948
  122   1HG   PRO  14           HG1      PRO  14  -9.465   3.815  -9.201
  123   2HG   PRO  14           HG2      PRO  14 -10.607   5.152  -9.049
  124   1HD   PRO  14           HD1      PRO  14 -11.855   4.167 -10.702
  125   2HD   PRO  14           HD2      PRO  14 -10.833   2.717 -10.651
  126    H    SER  15           HN       SER  15 -12.798   5.209  -7.908
  127    HA   SER  15           HA       SER  15 -14.213   5.860  -5.685
  128   1HB   SER  15           HB1      SER  15 -13.880   7.336  -7.757
  129   2HB   SER  15           HB2      SER  15 -15.514   7.466  -7.076
  130    HG   SER  15           HG1      SER  15 -15.056   5.371  -8.835
  131    H    MET  16           HN       MET  16 -15.581   4.027  -8.397
  132    HA   MET  16           HA       MET  16 -18.222   3.881  -7.247
  133   1HB   MET  16           HB1      MET  16 -18.335   1.823  -8.872
  134   2HB   MET  16           HB2      MET  16 -16.720   2.315  -9.375
  135   1HG   MET  16           HG1      MET  16 -17.848   3.624 -10.836
  136   2HG   MET  16           HG2      MET  16 -17.949   4.699  -9.467
  137   1HE   MET  16           HE1      MET  16 -21.079   1.797 -10.913
  138   2HE   MET  16           HE2      MET  16 -19.326   1.773 -11.108
  139   3HE   MET  16           HE3      MET  16 -20.319   2.775 -12.168
  140    H    LEU  17           HN       LEU  17 -15.570   1.480  -7.436
  141    HA   LEU  17           HA       LEU  17 -16.907  -0.390  -5.716
  142   1HB   LEU  17           HB1      LEU  17 -13.887  -0.145  -5.993
  143   2HB   LEU  17           HB2      LEU  17 -14.849  -0.726  -7.333
  144    HG   LEU  17           HG       LEU  17 -13.890  -2.575  -5.908
  145   1HD1  LEU  17          HD11      LEU  17 -14.632  -2.957  -3.686
  146   2HD1  LEU  17          HD12      LEU  17 -15.892  -1.740  -3.802
  147   3HD1  LEU  17          HD13      LEU  17 -14.203  -1.253  -3.746
  148   1HD2  LEU  17          HD21      LEU  17 -16.894  -2.685  -5.617
  149   2HD2  LEU  17          HD22      LEU  17 -15.773  -3.961  -6.066
  150   3HD2  LEU  17          HD23      LEU  17 -16.158  -2.686  -7.210
  151    H    LYS  18           HN       LYS  18 -14.109   1.705  -5.146
  152    HA   LYS  18           HA       LYS  18 -13.568   1.474  -2.521
  153   1HB   LYS  18           HB1      LYS  18 -14.019   4.042  -4.104
  154   2HB   LYS  18           HB2      LYS  18 -12.490   3.222  -3.816
  155   1HG   LYS  18           HG1      LYS  18 -13.257   3.634  -1.255
  156   2HG   LYS  18           HG2      LYS  18 -14.058   5.003  -2.016
  157   1HD   LYS  18           HD1      LYS  18 -11.909   5.684  -3.047
  158   2HD   LYS  18           HD2      LYS  18 -11.109   4.314  -2.287
  159   1HE   LYS  18           HE1      LYS  18 -12.674   6.134  -0.509
  160   2HE   LYS  18           HE2      LYS  18 -11.150   6.742  -1.141
  161   1HZ   LYS  18           HZ1      LYS  18 -11.603   4.328   0.504
  162   2HZ   LYS  18           HZ2      LYS  18 -10.647   5.684   0.868
  163   3HZ   LYS  18           HZ3      LYS  18 -10.153   4.596  -0.339
  164    H    LYS  19           HN       LYS  19 -16.333   3.389  -3.709
  165    HA   LYS  19           HA       LYS  19 -17.268   3.961  -1.053
  166   1HB   LYS  19           HB1      LYS  19 -19.457   4.080  -2.882
  167   2HB   LYS  19           HB2      LYS  19 -18.040   4.558  -3.803
  168   1HG   LYS  19           HG1      LYS  19 -18.738   5.746  -1.096
  169   2HG   LYS  19           HG2      LYS  19 -19.228   6.466  -2.624
  170   1HD   LYS  19           HD1      LYS  19 -17.083   7.115  -3.173
  171   2HD   LYS  19           HD2      LYS  19 -16.342   5.756  -2.337
  172   1HE   LYS  19           HE1      LYS  19 -15.911   7.904  -1.160
  173   2HE   LYS  19           HE2      LYS  19 -16.839   6.791  -0.162
  174   1HZ   LYS  19           HZ1      LYS  19 -18.133   8.843  -1.853
  175   2HZ   LYS  19           HZ2      LYS  19 -17.636   9.162  -0.260
  176   3HZ   LYS  19           HZ3      LYS  19 -18.803   7.965  -0.561
  177    H    HIS  20           HN       HIS  20 -18.088   1.566  -3.506
  178    HA   HIS  20           HA       HIS  20 -20.339   0.415  -2.247
  179   1HB   HIS  20           HB1      HIS  20 -18.153  -0.924  -3.892
  180   2HB   HIS  20           HB2      HIS  20 -19.621  -0.208  -4.550
  181    HD1  HIS  20           HD1      HIS  20 -21.477  -1.875  -4.684
  182    HD2  HIS  20           HD2      HIS  20 -18.647  -3.109  -2.032
  183    HE1  HIS  20           HE1      HIS  20 -22.212  -4.085  -3.929
  184    H    ILE  21           HN       ILE  21 -16.911  -0.535  -2.026
  185    HA   ILE  21           HA       ILE  21 -17.361  -2.612  -0.138
  186    HB   ILE  21           HB       ILE  21 -15.177  -1.848  -1.525
  187   1HG1  ILE  21          HG11      ILE  21 -15.328  -3.284   1.134
  188   2HG1  ILE  21          HG12      ILE  21 -13.818  -3.163   0.242
  189   1HG2  ILE  21          HG21      ILE  21 -15.025   0.227   0.060
  190   2HG2  ILE  21          HG22      ILE  21 -13.552  -0.686  -0.180
  191   3HG2  ILE  21          HG23      ILE  21 -14.490  -0.897   1.294
  192   1HD1  ILE  21           HD1      ILE  21 -15.777  -5.104  -0.145
  193   2HD1  ILE  21           HD2      ILE  21 -14.474  -4.727  -1.266
  194   3HD1  ILE  21           HD3      ILE  21 -16.055  -3.985  -1.473
  195    NH1  ARG  22           NH1      ARG  22 -13.229   6.279   2.817
  196    NH2  ARG  22           NH2      ARG  22 -14.952   6.966   4.151
  197    H    ARG  22           HN       ARG  22 -17.037   0.849   0.275
  198    HA   ARG  22           HA       ARG  22 -16.651   0.708   3.156
  199   1HB   ARG  22           HB1      ARG  22 -17.501   3.192   2.912
  200   2HB   ARG  22           HB2      ARG  22 -17.447   2.881   1.181
  201   1HG   ARG  22           HG1      ARG  22 -15.075   2.292   1.320
  202   2HG   ARG  22           HG2      ARG  22 -15.106   2.457   3.072
  203   1HD   ARG  22           HD1      ARG  22 -16.119   4.827   1.636
  204   2HD   ARG  22           HD2      ARG  22 -14.417   4.477   1.334
  205    HE   ARG  22           HE       ARG  22 -15.066   4.340   4.162
  206   1HH1  ARG  22          HH11      ARG  22 -12.797   5.553   2.283
  207   2HH1  ARG  22          HH12      ARG  22 -12.801   7.180   2.874
  208   1HH2  ARG  22          HH21      ARG  22 -15.812   6.753   4.615
  209   2HH2  ARG  22          HH22      ARG  22 -14.553   7.878   4.230
  210    H    THR  23           HN       THR  23 -19.412   0.440   1.096
  211    HA   THR  23           HA       THR  23 -21.325   1.319   3.086
  212    HB   THR  23           HB       THR  23 -21.789  -0.587   0.706
  213    HG1  THR  23           HG1      THR  23 -22.362   1.547  -0.199
  214   1HG2  THR  23          HG21      THR  23 -23.948  -0.453   1.673
  215   2HG2  THR  23          HG22      THR  23 -23.953   1.132   0.912
  216   3HG2  THR  23          HG23      THR  23 -23.541   0.973   2.617
  217    H    HIS  24           HN       HIS  24 -19.500  -1.564   2.698
  218    HA   HIS  24           HA       HIS  24 -21.425  -3.277   4.118
  219   1HB   HIS  24           HB1      HIS  24 -19.278  -4.787   4.252
  220   2HB   HIS  24           HB2      HIS  24 -18.532  -3.581   3.211
  221    HD1  HIS  24           HD1      HIS  24 -21.721  -5.592   3.104
  222    HD2  HIS  24           HD2      HIS  24 -18.858  -4.157   0.587
  223    HE1  HIS  24           HE1      HIS  24 -22.315  -6.442   0.858
  224    H    THR  25           HN       THR  25 -19.852  -0.716   5.178
  225    HA   THR  25           HA       THR  25 -18.681  -1.911   7.609
  226    HB   THR  25           HB       THR  25 -18.181   0.593   8.062
  227    HG1  THR  25           HG1      THR  25 -19.869   0.589   5.886
  228   1HG2  THR  25          HG21      THR  25 -16.638   0.887   6.108
  229   2HG2  THR  25          HG22      THR  25 -17.485  -0.395   5.247
  230   3HG2  THR  25          HG23      THR  25 -16.537  -0.775   6.682
  231    H    ASP  26           HN       ASP  26 -20.110   1.120   7.950
  232    HA   ASP  26           HA       ASP  26 -22.682   0.198   8.940
  233   1HB   ASP  26           HB1      ASP  26 -22.104   1.213  11.289
  234   2HB   ASP  26           HB2      ASP  26 -20.419   1.031  10.807
  235    H    VAL  27           HN       VAL  27 -21.487   2.025   7.066
  236    HA   VAL  27           HA       VAL  27 -22.202   4.673   8.196
  237    HB   VAL  27           HB       VAL  27 -20.089   4.462   6.930
  238   1HG1  VAL  27          HG11      VAL  27 -20.080   3.830   4.566
  239   2HG1  VAL  27          HG12      VAL  27 -21.827   3.636   4.586
  240   3HG1  VAL  27          HG13      VAL  27 -20.813   2.546   5.513
  241   1HG2  VAL  27          HG21      VAL  27 -22.074   6.374   6.476
  242   2HG2  VAL  27          HG22      VAL  27 -21.533   5.934   4.859
  243   3HG2  VAL  27          HG23      VAL  27 -20.375   6.529   6.044
  244    NH1  ARG  28           NH2      ARG  28 -25.736  -1.864   7.928
  245    NH2  ARG  28           NH1      ARG  28 -24.039  -2.458   6.518
  246    H    ARG  28           HN       ARG  28 -24.364   3.016   7.918
  247    HA   ARG  28           HA       ARG  28 -25.808   4.109   5.543
  248   1HB   ARG  28           HB1      ARG  28 -27.369   2.126   6.031
  249   2HB   ARG  28           HB2      ARG  28 -26.147   1.564   7.165
  250   1HG   ARG  28           HG1      ARG  28 -24.529   1.884   5.105
  251   2HG   ARG  28           HG2      ARG  28 -26.014   1.760   4.173
  252   1HD   ARG  28           HD1      ARG  28 -25.007  -0.470   4.450
  253   2HD   ARG  28           HD2      ARG  28 -26.533  -0.387   5.326
  254    HE   ARG  28           HE       ARG  28 -24.315   0.341   7.034
  255   1HH1  ARG  28          HH21      ARG  28 -26.353  -1.157   8.275
  256   2HH1  ARG  28          HH22      ARG  28 -25.789  -2.795   8.288
  257   1HH2  ARG  28          HH11      ARG  28 -23.385  -2.198   5.810
  258   2HH2  ARG  28          HH12      ARG  28 -24.063  -3.400   6.855
  259    HA   PRO  29           HA       PRO  29 -27.696   6.048   9.313
  260   1HB   PRO  29           HB1      PRO  29 -27.236   8.270   8.959
  261   2HB   PRO  29           HB2      PRO  29 -28.445   8.318   7.676
  262   1HG   PRO  29           HG1      PRO  29 -25.557   8.356   7.401
  263   2HG   PRO  29           HG2      PRO  29 -26.766   8.456   6.121
  264   1HD   PRO  29           HD1      PRO  29 -26.355   6.303   5.511
  265   2HD   PRO  29           HD2      PRO  29 -25.060   6.236   6.717
  266    OH   TYR  30           OH       TYR  30 -29.267  10.446   2.768
  267    H    TYR  30           HN       TYR  30 -28.855   5.627   6.038
  268    HA   TYR  30           HA       TYR  30 -31.634   6.192   6.696
  269   1HB   TYR  30           HB1      TYR  30 -32.072   5.255   4.424
  270   2HB   TYR  30           HB2      TYR  30 -30.430   4.633   4.354
  271    HD1  TYR  30           HD1      TYR  30 -32.170   7.870   5.097
  272    HD2  TYR  30           HD2      TYR  30 -28.866   5.960   3.217
  273    HE1  TYR  30           HE1      TYR  30 -31.403  10.035   4.242
  274    HE2  TYR  30           HE2      TYR  30 -28.097   8.127   2.367
  275    HH   TYR  30           HH       TYR  30 -29.912  11.110   3.025
  276    H    HIS  31           HN       HIS  31 -32.445   4.933   8.293
  277    HA   HIS  31           HA       HIS  31 -32.240   1.958   7.964
  278   1HB   HIS  31           HB1      HIS  31 -32.722   1.873  10.418
  279   2HB   HIS  31           HB2      HIS  31 -32.850   3.629  10.453
  280    HD1  HIS  31           HD1      HIS  31 -30.302   1.047   9.746
  281    HD2  HIS  31           HD2      HIS  31 -30.468   4.966  10.769
  282    HE1  HIS  31           HE1      HIS  31 -27.996   1.678  10.168
  283    H    CYS  32           HN       CYS  32 -34.093   0.765   7.776
  284    HA   CYS  32           HA       CYS  32 -36.514   2.035   7.023
  285   1HB   CYS  32           HB1      CYS  32 -35.781  -0.732   7.985
  286   2HB   CYS  32           HB2      CYS  32 -36.329  -0.240   6.406
  287    H    THR  33           HN       THR  33 -38.493   2.298   8.131
  288    HA   THR  33           HA       THR  33 -38.130   2.981  10.959
  289    HB   THR  33           HB       THR  33 -40.531   3.171   9.044
  290    HG1  THR  33           HG1      THR  33 -38.324   4.602   9.698
  291   1HG2  THR  33          HG21      THR  33 -41.678   3.317  11.116
  292   2HG2  THR  33          HG22      THR  33 -41.027   4.952  11.063
  293   3HG2  THR  33          HG23      THR  33 -40.206   3.709  12.002
  294    OH   TYR  34           OH       TYR  34 -44.480   2.452   9.307
  295    H    TYR  34           HN       TYR  34 -38.191   0.132   9.862
  296    HA   TYR  34           HA       TYR  34 -39.866  -0.929  12.048
  297   1HB   TYR  34           HB1      TYR  34 -41.066  -2.487  10.556
  298   2HB   TYR  34           HB2      TYR  34 -40.163  -1.902   9.163
  299    HD1  TYR  34           HD2      TYR  34 -40.599   0.374   8.267
  300    HD2  TYR  34           HD1      TYR  34 -42.889  -1.177  11.497
  301    HE1  TYR  34           HE2      TYR  34 -42.282   2.119   7.911
  302    HE2  TYR  34           HE1      TYR  34 -44.571   0.574  11.139
  303    HH   TYR  34           HH       TYR  34 -45.199   2.302   9.925
  304    H    CYS  35           HN       CYS  35 -38.373  -2.365   9.161
  305    HA   CYS  35           HA       CYS  35 -37.264  -4.596  10.504
  306   1HB   CYS  35           HB1      CYS  35 -35.855  -4.853   8.527
  307   2HB   CYS  35           HB2      CYS  35 -36.026  -3.171   8.121
  308    H    ASN  36           HN       ASN  36 -34.573  -4.581   9.742
  309    HA   ASN  36           HA       ASN  36 -33.386  -2.507  11.536
  310   1HB   ASN  36           HB1      ASN  36 -32.710  -5.488  11.341
  311   2HB   ASN  36           HB2      ASN  36 -33.467  -4.692  12.720
  312   1HD2  ASN  36          HD21      ASN  36 -31.926  -2.376  12.981
  313   2HD2  ASN  36          HD22      ASN  36 -30.315  -2.789  13.321
  314    H    PHE  37           HN       PHE  37 -33.615  -3.465   8.492
  315    HA   PHE  37           HA       PHE  37 -30.791  -3.571   7.750
  316   1HB   PHE  37           HB1      PHE  37 -33.035  -2.959   5.810
  317   2HB   PHE  37           HB2      PHE  37 -32.941  -4.566   6.526
  318    HD1  PHE  37           HD2      PHE  37 -30.714  -5.841   6.313
  319    HD2  PHE  37           HD1      PHE  37 -31.604  -2.366   4.015
  320    HE1  PHE  37           HE2      PHE  37 -28.953  -6.445   4.712
  321    HE2  PHE  37           HE1      PHE  37 -29.842  -2.977   2.417
  322    HZ   PHE  37           HZ       PHE  37 -28.517  -5.015   2.764
  323    H    SER  38           HN       SER  38 -29.744  -1.990   6.410
  324    HA   SER  38           HA       SER  38 -30.977   0.707   6.461
  325   1HB   SER  38           HB1      SER  38 -28.079   0.295   7.269
  326   2HB   SER  38           HB2      SER  38 -29.369   0.218   8.474
  327    HG   SER  38           HG1      SER  38 -29.361   2.286   6.582
  328    H    PHE  39           HN       PHE  39 -30.103   2.173   4.964
  329    HA   PHE  39           HA       PHE  39 -28.428   0.908   2.829
  330   1HB   PHE  39           HB1      PHE  39 -29.851   1.916   1.192
  331   2HB   PHE  39           HB2      PHE  39 -30.521   3.052   2.361
  332    HD1  PHE  39           HD2      PHE  39 -31.963   2.126   4.250
  333    HD2  PHE  39           HD1      PHE  39 -30.874  -0.227   0.875
  334    HE1  PHE  39           HE2      PHE  39 -33.816   0.589   4.725
  335    HE2  PHE  39           HE1      PHE  39 -32.725  -1.769   1.360
  336    HZ   PHE  39           HZ       PHE  39 -34.201  -1.357   3.281
  337    H    LYS  40           HN       LYS  40 -27.086   2.341   1.631
  338    HA   LYS  40           HA       LYS  40 -26.021   4.523   3.270
  339   1HB   LYS  40           HB1      LYS  40 -25.258   3.290   0.584
  340   2HB   LYS  40           HB2      LYS  40 -24.445   3.062   2.116
  341   1HG   LYS  40           HG1      LYS  40 -24.553   5.667   0.547
  342   2HG   LYS  40           HG2      LYS  40 -23.163   4.612   0.704
  343   1HD   LYS  40           HD1      LYS  40 -23.386   4.923   3.234
  344   2HD   LYS  40           HD2      LYS  40 -24.492   6.241   2.876
  345   1HE   LYS  40           HE1      LYS  40 -22.328   7.246   3.082
  346   2HE   LYS  40           HE2      LYS  40 -22.667   7.185   1.357
  347   1HZ   LYS  40           HZ1      LYS  40 -21.240   4.961   2.646
  348   2HZ   LYS  40           HZ2      LYS  40 -20.401   6.381   2.238
  349   3HZ   LYS  40           HZ3      LYS  40 -21.187   5.482   1.030
  350    H    THR  41           HN       THR  41 -28.263   4.166   0.744
  351    HA   THR  41           HA       THR  41 -28.136   7.107   0.195
  352    HB   THR  41           HB       THR  41 -28.751   6.645  -2.091
  353    HG1  THR  41           HG1      THR  41 -30.405   5.298  -1.961
  354   1HG2  THR  41          HG21      THR  41 -26.472   5.457  -1.266
  355   2HG2  THR  41          HG22      THR  41 -27.131   5.025  -2.840
  356   3HG2  THR  41          HG23      THR  41 -27.412   3.979  -1.452
  357    H    LYS  42           HN       LYS  42 -30.122   8.158  -0.217
  358    HA   LYS  42           HA       LYS  42 -32.230   7.216   1.534
  359   1HB   LYS  42           HB1      LYS  42 -32.012   9.653  -0.291
  360   2HB   LYS  42           HB2      LYS  42 -31.673   9.625   1.436
  361   1HG   LYS  42           HG1      LYS  42 -34.128   8.714   1.635
  362   2HG   LYS  42           HG2      LYS  42 -34.325   9.405   0.029
  363   1HD   LYS  42           HD1      LYS  42 -33.167  11.516   1.147
  364   2HD   LYS  42           HD2      LYS  42 -33.771  10.790   2.633
  365   1HE   LYS  42           HE1      LYS  42 -35.625  12.049   2.047
  366   2HE   LYS  42           HE2      LYS  42 -36.006  10.562   1.187
  367   1HZ   LYS  42           HZ1      LYS  42 -35.687  13.089   0.120
  368   2HZ   LYS  42           HZ2      LYS  42 -35.906  11.632  -0.724
  369   3HZ   LYS  42           HZ3      LYS  42 -34.338  12.196  -0.398
  370    H    GLY  43           HN       GLY  43 -31.474   7.029  -1.786
  371   1HA   GLY  43           HA1      GLY  43 -32.675   6.167  -3.613
  372   2HA   GLY  43           HA2      GLY  43 -34.112   6.890  -2.894
  373    H    ASN  44           HN       ASN  44 -31.879   4.224  -2.132
  374    HA   ASN  44           HA       ASN  44 -33.629   2.100  -2.489
  375   1HB   ASN  44           HB1      ASN  44 -32.243   1.046  -0.526
  376   2HB   ASN  44           HB2      ASN  44 -31.374   2.576  -0.505
  377   1HD2  ASN  44          HD21      ASN  44 -29.703   2.806  -1.997
  378   2HD2  ASN  44          HD22      ASN  44 -29.437   1.772  -3.317
  379    H    LEU  45           HN       LEU  45 -33.344   4.251   0.283
  380    HA   LEU  45           HA       LEU  45 -34.997   2.864   2.102
  381   1HB   LEU  45           HB1      LEU  45 -35.067   5.885   1.724
  382   2HB   LEU  45           HB2      LEU  45 -33.621   5.102   2.336
  383    HG   LEU  45           HG       LEU  45 -35.070   5.931   4.177
  384   1HD1  LEU  45          HD11      LEU  45 -37.130   3.851   3.403
  385   2HD1  LEU  45          HD12      LEU  45 -37.220   5.502   2.804
  386   3HD1  LEU  45          HD13      LEU  45 -37.284   5.188   4.533
  387   1HD2  LEU  45          HD21      LEU  45 -34.657   4.116   5.537
  388   2HD2  LEU  45          HD22      LEU  45 -33.726   3.617   4.136
  389   3HD2  LEU  45          HD23      LEU  45 -35.327   2.954   4.402
  390    H    THR  46           HN       THR  46 -35.954   5.518  -0.075
  391    HA   THR  46           HA       THR  46 -38.730   5.320   0.340
  392    HB   THR  46           HB       THR  46 -37.363   5.973  -2.337
  393    HG1  THR  46           HG1      THR  46 -37.281   7.065   0.168
  394   1HG2  THR  46          HG21      THR  46 -39.871   6.033  -2.396
  395   2HG2  THR  46          HG22      THR  46 -39.259   7.683  -2.376
  396   3HG2  THR  46          HG23      THR  46 -39.896   6.962  -0.900
  397    H    LYS  47           HN       LYS  47 -36.602   3.426  -1.699
  398    HA   LYS  47           HA       LYS  47 -38.697   2.122  -3.194
  399   1HB   LYS  47           HB1      LYS  47 -36.045   0.802  -2.553
  400   2HB   LYS  47           HB2      LYS  47 -36.071   2.233  -3.578
  401   1HG   LYS  47           HG1      LYS  47 -37.706   1.116  -5.077
  402   2HG   LYS  47           HG2      LYS  47 -37.645  -0.319  -4.060
  403   1HD   LYS  47           HD1      LYS  47 -36.036  -0.917  -5.607
  404   2HD   LYS  47           HD2      LYS  47 -35.010  -0.030  -4.486
  405   1HE   LYS  47           HE1      LYS  47 -34.559   0.794  -6.723
  406   2HE   LYS  47           HE2      LYS  47 -35.431   2.047  -5.850
  407   1HZ   LYS  47           HZ1      LYS  47 -36.509   1.932  -7.871
  408   2HZ   LYS  47           HZ2      LYS  47 -37.497   0.978  -6.872
  409   3HZ   LYS  47           HZ3      LYS  47 -36.419   0.238  -7.955
  410    H    HIS  48           HN       HIS  48 -36.801   1.109  -0.351
  411    HA   HIS  48           HA       HIS  48 -38.111  -1.404  -0.028
  412   1HB   HIS  48           HB1      HIS  48 -36.736   0.455   1.976
  413   2HB   HIS  48           HB2      HIS  48 -36.034  -0.947   1.177
  414    HD1  HIS  48           HD1      HIS  48 -37.538  -3.200   1.793
  415    HD2  HIS  48           HD2      HIS  48 -37.677  -0.134   4.495
  416    HE1  HIS  48           HE1      HIS  48 -38.322  -4.210   3.878
  417    H    MET  49           HN       MET  49 -39.161   1.797   0.592
  418    HA   MET  49           HA       MET  49 -41.316   0.845   2.411
  419   1HB   MET  49           HB1      MET  49 -41.803   3.419   2.431
  420   2HB   MET  49           HB2      MET  49 -40.262   3.584   1.595
  421   1HG   MET  49           HG1      MET  49 -39.129   2.400   3.412
  422   2HG   MET  49           HG2      MET  49 -40.647   2.148   4.229
  423   1HE   MET  49           HE1      MET  49 -39.084   4.315   6.833
  424   2HE   MET  49           HE2      MET  49 -38.239   3.120   5.849
  425   3HE   MET  49           HE3      MET  49 -39.888   2.809   6.391
  426    H    LYS  50           HN       LYS  50 -40.758   1.927  -0.834
  427    HA   LYS  50           HA       LYS  50 -43.462   2.677  -1.461
  428   1HB   LYS  50           HB1      LYS  50 -41.415   1.474  -3.377
  429   2HB   LYS  50           HB2      LYS  50 -41.333   3.146  -2.836
  430   1HG   LYS  50           HG1      LYS  50 -43.544   3.603  -3.764
  431   2HG   LYS  50           HG2      LYS  50 -43.752   1.909  -4.190
  432   1HD   LYS  50           HD1      LYS  50 -42.169   2.013  -5.918
  433   2HD   LYS  50           HD2      LYS  50 -41.369   3.422  -5.232
  434   1HE   LYS  50           HE1      LYS  50 -43.259   4.844  -5.818
  435   2HE   LYS  50           HE2      LYS  50 -44.187   3.451  -6.359
  436   1HZ   LYS  50           HZ1      LYS  50 -41.936   4.800  -7.648
  437   2HZ   LYS  50           HZ2      LYS  50 -43.370   4.189  -8.326
  438   3HZ   LYS  50           HZ3      LYS  50 -42.115   3.129  -7.896
  439    H    SER  51           HN       SER  51 -41.665  -0.349  -2.013
  440    HA   SER  51           HA       SER  51 -43.691  -1.830  -3.252
  441   1HB   SER  51           HB1      SER  51 -41.736  -2.851  -1.117
  442   2HB   SER  51           HB2      SER  51 -41.349  -2.676  -2.840
  443    HG   SER  51           HG1      SER  51 -43.075  -4.066  -3.310
  444    H    LYS  52           HN       LYS  52 -44.621  -3.885  -1.961
  445    HA   LYS  52           HA       LYS  52 -46.629  -2.743  -0.199
  446   1HB   LYS  52           HB1      LYS  52 -47.392  -5.158  -0.043
  447   2HB   LYS  52           HB2      LYS  52 -45.967  -5.629  -0.964
  448   1HG   LYS  52           HG1      LYS  52 -46.704  -4.461  -2.904
  449   2HG   LYS  52           HG2      LYS  52 -47.904  -3.548  -1.997
  450   1HD   LYS  52           HD1      LYS  52 -48.953  -5.383  -3.304
  451   2HD   LYS  52           HD2      LYS  52 -49.181  -5.611  -1.574
  452   1HE   LYS  52           HE1      LYS  52 -47.698  -7.393  -1.475
  453   2HE   LYS  52           HE2      LYS  52 -46.747  -6.813  -2.835
  454   1HZ   LYS  52           HZ1      LYS  52 -49.371  -7.401  -3.682
  455   2HZ   LYS  52           HZ2      LYS  52 -48.724  -8.743  -2.864
  456   3HZ   LYS  52           HZ3      LYS  52 -47.904  -8.083  -4.197
  457    H    ALA  53           HN       ALA  53 -43.766  -2.730   0.664
  458    HA   ALA  53           HA       ALA  53 -43.344  -4.614   2.751
  459   1HB   ALA  53           HB1      ALA  53 -41.554  -3.115   1.902
  460   2HB   ALA  53           HB2      ALA  53 -41.747  -2.873   3.636
  461   3HB   ALA  53           HB3      ALA  53 -42.423  -1.706   2.504
  462    H    HIS  54           HN       HIS  54 -43.033  -1.788   4.379
  463    HA   HIS  54           HA       HIS  54 -45.786  -1.774   5.460
  464   1HB   HIS  54           HB1      HIS  54 -44.947  -3.278   7.035
  465   2HB   HIS  54           HB2      HIS  54 -44.456  -1.777   7.808
  466    HD1  HIS  54           HD1      HIS  54 -43.042  -4.825   6.960
  467    HD2  HIS  54           HD2      HIS  54 -41.651  -0.991   6.642
  468    HE1  HIS  54           HE1      HIS  54 -40.603  -5.020   6.832
  469    H    SER  55           HN       SER  55 -45.807   0.345   4.528
  470    HA   SER  55           HA       SER  55 -44.931   2.365   6.431
  471   1HB   SER  55           HB1      SER  55 -43.776   2.617   3.616
  472   2HB   SER  55           HB2      SER  55 -42.869   1.820   4.916
  473    HG   SER  55           HG1      SER  55 -43.865   3.920   6.030
  474    H    LYS  56           HN       LYS  56 -47.263   1.318   4.701
  475    HA   LYS  56           HA       LYS  56 -47.999   3.857   3.340
  476   1HB   LYS  56           HB1      LYS  56 -49.647   2.562   2.181
  477   2HB   LYS  56           HB2      LYS  56 -49.652   1.307   3.413
  478   1HG   LYS  56           HG1      LYS  56 -47.446   0.558   2.768
  479   2HG   LYS  56           HG2      LYS  56 -47.230   1.931   1.692
  480   1HD   LYS  56           HD1      LYS  56 -49.395  -0.182   1.360
  481   2HD   LYS  56           HD2      LYS  56 -47.865  -0.200   0.495
  482   1HE   LYS  56           HE1      LYS  56 -48.754   2.376   0.024
  483   2HE   LYS  56           HE2      LYS  56 -50.258   1.466   0.040
  484   1HZ   LYS  56           HZ1      LYS  56 -48.587   1.688  -2.063
  485   2HZ   LYS  56           HZ2      LYS  56 -49.762   0.476  -1.870
  486   3HZ   LYS  56           HZ3      LYS  56 -48.151   0.176  -1.423
  487    H    LYS  57           HN       LYS  57 -48.060   3.011   6.357
  488    HA   LYS  57           HA       LYS  57 -50.711   2.995   7.267
  489   1HB   LYS  57           HB1      LYS  57 -48.455   4.531   8.619
  490   2HB   LYS  57           HB2      LYS  57 -48.511   2.773   8.617
  491   1HG   LYS  57           HG1      LYS  57 -50.475   2.707   9.912
  492   2HG   LYS  57           HG2      LYS  57 -50.921   4.357   9.490
  493   1HD   LYS  57           HD1      LYS  57 -48.344   3.913  10.957
  494   2HD   LYS  57           HD2      LYS  57 -49.848   3.801  11.863
  495   1HE   LYS  57           HE1      LYS  57 -49.458   6.130  10.014
  496   2HE   LYS  57           HE2      LYS  57 -48.626   6.140  11.564
  497   1HZ   LYS  57           HZ1      LYS  57 -51.545   5.880  11.121
  498   2HZ   LYS  57           HZ2      LYS  57 -50.729   7.207  11.798
  499   3HZ   LYS  57                 LYS  57 -50.788   5.729  12.633
   
  Start of MODEL          43
 Raw file had 499 H/Q atoms
  Start of MODEL   43
    1   1H    LYS   1           HT1      LYS   1  -6.562  -2.375  -9.764
    2   2H    LYS   1           HT2      LYS   1  -7.131  -2.117  -8.184
    3   3H    LYS   1           HT3      LYS   1  -7.461  -0.980  -9.401
    4    HA   LYS   1           HA       LYS   1  -8.892  -2.450 -10.543
    5   1HB   LYS   1           HB1      LYS   1  -7.517  -4.521  -9.982
    6   2HB   LYS   1           HB2      LYS   1  -9.248  -4.753  -9.764
    7   1HG   LYS   1           HG1      LYS   1  -9.091  -4.599  -7.407
    8   2HG   LYS   1           HG2      LYS   1  -7.509  -3.833  -7.473
    9   1HD   LYS   1           HD1      LYS   1  -6.547  -5.939  -8.385
   10   2HD   LYS   1           HD2      LYS   1  -8.129  -6.700  -8.261
   11   1HE   LYS   1           HE1      LYS   1  -7.346  -7.337  -6.200
   12   2HE   LYS   1           HE2      LYS   1  -7.887  -5.728  -5.739
   13   1HZ   LYS   1           HZ1      LYS   1  -5.482  -5.135  -6.611
   14   2HZ   LYS   1           HZ2      LYS   1  -5.186  -6.738  -6.136
   15   3HZ   LYS   1           HZ3      LYS   1  -5.774  -5.614  -5.007
   16    OH   TYR   2           OH       TYR   2  -8.461   3.676  -8.871
   17    H    TYR   2           HN       TYR   2 -10.959  -2.035 -10.101
   18    HA   TYR   2           HA       TYR   2 -11.674  -1.449  -7.249
   19   1HB   TYR   2           HB1      TYR   2 -13.380   0.078  -8.208
   20   2HB   TYR   2           HB2      TYR   2 -12.929  -0.412  -9.838
   21    HD1  TYR   2           HD2      TYR   2 -11.609   1.207  -6.754
   22    HD2  TYR   2           HD1      TYR   2 -11.079   0.612 -10.931
   23    HE1  TYR   2           HE2      TYR   2  -9.842   2.908  -6.773
   24    HE2  TYR   2           HE1      TYR   2  -9.310   2.309 -10.949
   25    HH   TYR   2           HH       TYR   2  -8.874   4.536  -8.972
   26    H    ILE   3           HN       ILE   3 -11.892  -3.967  -7.496
   27    HA   ILE   3           HA       ILE   3 -14.749  -4.532  -8.197
   28    HB   ILE   3           HB       ILE   3 -12.438  -6.524  -8.183
   29   1HG1  ILE   3          HG11      ILE   3 -12.012  -4.803  -9.886
   30   2HG1  ILE   3          HG12      ILE   3 -13.641  -5.002 -10.522
   31   1HG2  ILE   3          HG21      ILE   3 -14.877  -7.306  -7.980
   32   2HG2  ILE   3          HG22      ILE   3 -14.033  -7.941  -9.387
   33   3HG2  ILE   3          HG23      ILE   3 -15.164  -6.605  -9.568
   34   1HD1  ILE   3           HD1      ILE   3 -11.859  -7.412 -10.287
   35   2HD1  ILE   3           HD2      ILE   3 -11.629  -6.306 -11.637
   36   3HD1  ILE   3           HD3      ILE   3 -13.178  -7.115 -11.415
   37    H    CYS   4           HN       CYS   4 -15.736  -4.439  -6.199
   38    HA   CYS   4           HA       CYS   4 -14.591  -5.034  -3.729
   39   1HB   CYS   4           HB1      CYS   4 -17.417  -5.490  -4.711
   40   2HB   CYS   4           HB2      CYS   4 -16.831  -4.140  -3.783
   41    H    GLU   5           HN       GLU   5 -13.614  -6.757  -3.045
   42    HA   GLU   5           HA       GLU   5 -13.635  -9.263  -4.362
   43   1HB   GLU   5           HB1      GLU   5 -12.659 -10.028  -2.039
   44   2HB   GLU   5           HB2      GLU   5 -12.758  -8.322  -1.618
   45   1HG   GLU   5           HG1      GLU   5 -11.414  -7.778  -3.657
   46   2HG   GLU   5           HG2      GLU   5 -11.252  -9.502  -3.979
   47    H    GLU   6           HN       GLU   6 -15.894  -7.922  -2.165
   48    HA   GLU   6           HA       GLU   6 -16.884 -10.553  -1.345
   49   1HB   GLU   6           HB1      GLU   6 -18.210  -7.898  -0.734
   50   2HB   GLU   6           HB2      GLU   6 -16.766  -8.395   0.137
   51   1HG   GLU   6           HG1      GLU   6 -19.127 -10.259  -0.121
   52   2HG   GLU   6           HG2      GLU   6 -19.082  -9.034   1.144
   53    H    CYS   7           HN       CYS   7 -18.587  -7.670  -2.556
   54    HA   CYS   7           HA       CYS   7 -20.687  -9.335  -3.691
   55   1HB   CYS   7           HB1      CYS   7 -21.718  -7.290  -4.325
   56   2HB   CYS   7           HB2      CYS   7 -20.202  -6.446  -4.423
   57    H    GLY   8           HN       GLY   8 -18.121  -7.284  -5.033
   58   1HA   GLY   8           HA1      GLY   8 -18.327  -8.855  -7.568
   59   2HA   GLY   8           HA2      GLY   8 -16.862  -8.065  -7.001
   60    H    ILE   9           HN       ILE   9 -18.912  -5.816  -6.185
   61    HA   ILE   9           HA       ILE   9 -20.000  -4.703  -8.522
   62    HB   ILE   9           HB       ILE   9 -20.238  -3.943  -6.038
   63   1HG1  ILE   9          HG11      ILE   9 -20.094  -2.208  -8.475
   64   2HG1  ILE   9          HG12      ILE   9 -20.337  -1.431  -6.914
   65   1HG2  ILE   9          HG21      ILE   9 -17.959  -2.073  -6.831
   66   2HG2  ILE   9          HG22      ILE   9 -17.648  -3.551  -5.934
   67   3HG2  ILE   9          HG23      ILE   9 -18.664  -2.305  -5.242
   68   1HD1  ILE   9           HD1      ILE   9 -22.424  -2.277  -8.300
   69   2HD1  ILE   9           HD2      ILE   9 -22.388  -2.493  -6.553
   70   3HD1  ILE   9           HD3      ILE   9 -21.991  -3.840  -7.615
   71    NH1  ARG  10           NH1      ARG  10 -17.648  -6.028 -15.772
   72    NH2  ARG  10           NH2      ARG  10 -17.108  -4.394 -17.276
   73    H    ARG  10           HN       ARG  10 -19.130  -3.833 -10.284
   74    HA   ARG  10           HA       ARG  10 -16.197  -3.292 -10.261
   75   1HB   ARG  10           HB1      ARG  10 -18.009  -3.474 -12.702
   76   2HB   ARG  10           HB2      ARG  10 -17.343  -4.914 -11.943
   77   1HG   ARG  10           HG1      ARG  10 -15.043  -3.879 -12.196
   78   2HG   ARG  10           HG2      ARG  10 -15.791  -2.603 -13.150
   79   1HD   ARG  10           HD1      ARG  10 -16.065  -5.556 -13.801
   80   2HD   ARG  10           HD2      ARG  10 -14.846  -4.509 -14.526
   81    HE   ARG  10           HE       ARG  10 -17.218  -3.155 -14.983
   82   1HH1  ARG  10          HH11      ARG  10 -17.705  -6.331 -14.822
   83   2HH1  ARG  10          HH12      ARG  10 -17.932  -6.639 -16.511
   84   1HH2  ARG  10          HH21      ARG  10 -16.761  -3.472 -17.451
   85   2HH2  ARG  10          HH22      ARG  10 -17.385  -4.979 -18.039
   86    H    ABA  11           HN       ABU  11 -16.024  -1.221  -9.549
   87    HA   ABA  11           HA       ABU  11 -17.435   0.875 -11.168
   88   1HB   ABA  11           HB1      ABU  11 -17.341   2.305  -9.180
   89   2HB   ABA  11           HB2      ABU  11 -16.364   1.131  -8.322
   90   1HG   ABA  11           HG1      ABU  11 -19.252   0.812  -9.186
   91   2HG   ABA  11           HG2      ABU  11 -18.644   0.899  -7.536
   92   3HG   ABA  11           HG3      ABU  11 -18.283  -0.504  -8.535
   93    H    LYS  12           HN       LYS  12 -15.783   1.023 -12.691
   94    HA   LYS  12           HA       LYS  12 -13.042   1.152 -12.301
   95   1HB   LYS  12           HB1      LYS  12 -13.013   2.602 -14.359
   96   2HB   LYS  12           HB2      LYS  12 -14.750   2.835 -14.191
   97   1HG   LYS  12           HG1      LYS  12 -14.851   0.220 -14.170
   98   2HG   LYS  12           HG2      LYS  12 -13.244   0.316 -14.880
   99   1HD   LYS  12           HD1      LYS  12 -14.215   1.893 -16.617
  100   2HD   LYS  12           HD2      LYS  12 -15.808   1.507 -15.977
  101   1HE   LYS  12           HE1      LYS  12 -15.534  -0.032 -17.753
  102   2HE   LYS  12           HE2      LYS  12 -15.126  -0.972 -16.322
  103   1HZ   LYS  12           HZ1      LYS  12 -12.844  -0.746 -16.756
  104   2HZ   LYS  12           HZ2      LYS  12 -13.095   0.449 -17.936
  105   3HZ   LYS  12           HZ3      LYS  12 -13.555  -1.156 -18.242
  106    H    LYS  13           HN       LYS  13 -15.320   3.294 -11.020
  107    HA   LYS  13           HA       LYS  13 -13.351   5.492 -10.818
  108   1HB   LYS  13           HB1      LYS  13 -15.458   6.628  -9.714
  109   2HB   LYS  13           HB2      LYS  13 -16.328   5.241 -10.353
  110   1HG   LYS  13           HG1      LYS  13 -16.470   6.950 -12.040
  111   2HG   LYS  13           HG2      LYS  13 -15.308   5.767 -12.625
  112   1HD   LYS  13           HD1      LYS  13 -13.689   7.341 -12.709
  113   2HD   LYS  13           HD2      LYS  13 -13.936   7.746 -11.017
  114   1HE   LYS  13           HE1      LYS  13 -15.570   8.807 -13.343
  115   2HE   LYS  13           HE2      LYS  13 -14.354   9.710 -12.447
  116   1HZ   LYS  13           HZ1      LYS  13 -15.806   9.047 -10.427
  117   2HZ   LYS  13           HZ2      LYS  13 -17.022   8.842 -11.594
  118   3HZ   LYS  13           HZ3      LYS  13 -16.266  10.352 -11.410
  119    HA   PRO  14           HA       PRO  14 -12.405   4.061  -6.647
  120   1HB   PRO  14           HB1      PRO  14 -10.469   5.260  -6.294
  121   2HB   PRO  14           HB2      PRO  14 -11.440   6.642  -5.788
  122   1HG   PRO  14           HG1      PRO  14  -9.888   6.420  -8.184
  123   2HG   PRO  14           HG2      PRO  14 -10.980   7.736  -7.750
  124   1HD   PRO  14           HD1      PRO  14 -12.393   7.054  -9.406
  125   2HD   PRO  14           HD2      PRO  14 -11.361   5.649  -9.739
  126    H    SER  15           HN       SER  15 -13.442   7.490  -6.709
  127    HA   SER  15           HA       SER  15 -14.665   7.698  -4.256
  128   1HB   SER  15           HB1      SER  15 -14.680   9.536  -5.974
  129   2HB   SER  15           HB2      SER  15 -16.331   9.259  -5.380
  130    HG   SER  15           HG1      SER  15 -15.298   7.768  -7.534
  131    H    MET  16           HN       MET  16 -15.999   6.072  -7.092
  132    HA   MET  16           HA       MET  16 -18.535   5.478  -5.832
  133   1HB   MET  16           HB1      MET  16 -18.554   3.686  -7.748
  134   2HB   MET  16           HB2      MET  16 -17.038   4.423  -8.259
  135   1HG   MET  16           HG1      MET  16 -18.722   5.547  -9.482
  136   2HG   MET  16           HG2      MET  16 -18.231   6.648  -8.224
  137   1HE   MET  16           HE1      MET  16 -22.138   6.751  -9.464
  138   2HE   MET  16           HE2      MET  16 -20.916   5.783 -10.289
  139   3HE   MET  16           HE3      MET  16 -20.550   7.439  -9.807
  140    H    LEU  17           HN       LEU  17 -15.663   3.448  -6.543
  141    HA   LEU  17           HA       LEU  17 -16.654   1.189  -5.091
  142   1HB   LEU  17           HB1      LEU  17 -13.710   1.868  -5.380
  143   2HB   LEU  17           HB2      LEU  17 -14.641   1.398  -6.781
  144    HG   LEU  17           HG       LEU  17 -13.447  -0.539  -5.737
  145   1HD1  LEU  17          HD11      LEU  17 -15.347  -0.283  -3.398
  146   2HD1  LEU  17          HD12      LEU  17 -13.736   0.419  -3.371
  147   3HD1  LEU  17          HD13      LEU  17 -13.940  -1.318  -3.554
  148   1HD2  LEU  17          HD21      LEU  17 -15.873  -0.601  -6.843
  149   2HD2  LEU  17          HD22      LEU  17 -16.352  -1.107  -5.232
  150   3HD2  LEU  17          HD23      LEU  17 -15.163  -2.041  -6.129
  151    H    LYS  18           HN       LYS  18 -14.123   3.528  -4.268
  152    HA   LYS  18           HA       LYS  18 -13.489   2.946  -1.707
  153   1HB   LYS  18           HB1      LYS  18 -13.479   5.491  -1.277
  154   2HB   LYS  18           HB2      LYS  18 -14.225   5.674  -2.861
  155   1HG   LYS  18           HG1      LYS  18 -12.327   4.671  -3.959
  156   2HG   LYS  18           HG2      LYS  18 -11.630   4.171  -2.425
  157   1HD   LYS  18           HD1      LYS  18 -11.494   6.616  -1.787
  158   2HD   LYS  18           HD2      LYS  18 -11.980   7.009  -3.433
  159   1HE   LYS  18           HE1      LYS  18  -9.694   7.017  -3.742
  160   2HE   LYS  18           HE2      LYS  18  -9.984   5.301  -4.000
  161   1HZ   LYS  18           HZ1      LYS  18  -8.678   4.871  -2.296
  162   2HZ   LYS  18           HZ2      LYS  18  -9.726   5.712  -1.258
  163   3HZ   LYS  18           HZ3      LYS  18  -8.442   6.529  -2.012
  164    H    LYS  19           HN       LYS  19 -16.460   4.655  -2.643
  165    HA   LYS  19           HA       LYS  19 -17.423   4.823   0.056
  166   1HB   LYS  19           HB1      LYS  19 -19.674   5.198  -1.239
  167   2HB   LYS  19           HB2      LYS  19 -18.685   5.117  -2.693
  168   1HG   LYS  19           HG1      LYS  19 -17.217   6.918  -1.694
  169   2HG   LYS  19           HG2      LYS  19 -18.392   7.074  -0.391
  170   1HD   LYS  19           HD1      LYS  19 -19.973   7.150  -2.673
  171   2HD   LYS  19           HD2      LYS  19 -18.537   8.048  -3.155
  172   1HE   LYS  19           HE1      LYS  19 -20.005   9.653  -2.151
  173   2HE   LYS  19           HE2      LYS  19 -18.758   9.328  -0.954
  174   1HZ   LYS  19           HZ1      LYS  19 -20.963   9.315   0.020
  175   2HZ   LYS  19           HZ2      LYS  19 -20.238   7.784   0.141
  176   3HZ   LYS  19           HZ3      LYS  19 -21.439   8.065  -1.025
  177    H    HIS  20           HN       HIS  20 -17.981   2.621  -2.645
  178    HA   HIS  20           HA       HIS  20 -20.033   1.053  -1.488
  179   1HB   HIS  20           HB1      HIS  20 -17.765   0.244  -3.353
  180   2HB   HIS  20           HB2      HIS  20 -19.353   0.801  -3.863
  181    HD1  HIS  20           HD1      HIS  20 -20.925  -1.115  -4.187
  182    HD2  HIS  20           HD2      HIS  20 -17.846  -2.198  -1.763
  183    HE1  HIS  20           HE1      HIS  20 -21.261  -3.501  -3.730
  184    H    ILE  21           HN       ILE  21 -16.499   0.514  -1.467
  185    HA   ILE  21           HA       ILE  21 -16.605  -1.806   0.157
  186    HB   ILE  21           HB       ILE  21 -14.565  -0.547  -1.104
  187   1HG1  ILE  21          HG11      ILE  21 -14.335  -2.246   1.408
  188   2HG1  ILE  21          HG12      ILE  21 -12.990  -1.910   0.327
  189   1HG2  ILE  21          HG21      ILE  21 -13.109   0.634   0.417
  190   2HG2  ILE  21          HG22      ILE  21 -14.023   0.122   1.828
  191   3HG2  ILE  21          HG23      ILE  21 -14.695   1.301   0.721
  192   1HD1  ILE  21           HD1      ILE  21 -15.105  -2.775  -1.347
  193   2HD1  ILE  21           HD2      ILE  21 -15.112  -3.865   0.034
  194   3HD1  ILE  21           HD3      ILE  21 -13.652  -3.672  -0.928
  195    NH1  ARG  22           NH2      ARG  22 -13.207   6.543   4.558
  196    NH2  ARG  22           NH1      ARG  22 -12.586   6.981   2.403
  197    H    ARG  22           HN       ARG  22 -16.719   1.599   1.001
  198    HA   ARG  22           HA       ARG  22 -16.426   1.069   3.864
  199   1HB   ARG  22           HB1      ARG  22 -17.394   3.527   3.913
  200   2HB   ARG  22           HB2      ARG  22 -17.200   3.469   2.164
  201   1HG   ARG  22           HG1      ARG  22 -14.793   2.726   2.579
  202   2HG   ARG  22           HG2      ARG  22 -15.047   3.131   4.270
  203   1HD   ARG  22           HD1      ARG  22 -15.530   5.448   3.703
  204   2HD   ARG  22           HD2      ARG  22 -15.494   5.075   1.981
  205    HE   ARG  22           HE       ARG  22 -13.002   4.334   2.638
  206   1HH1  ARG  22          HH21      ARG  22 -13.627   5.922   5.218
  207   2HH1  ARG  22          HH22      ARG  22 -12.844   7.425   4.861
  208   1HH2  ARG  22          HH11      ARG  22 -12.542   6.687   1.448
  209   2HH2  ARG  22          HH12      ARG  22 -12.214   7.870   2.670
  210    H    THR  23           HN       THR  23 -18.953   0.744   1.624
  211    HA   THR  23           HA       THR  23 -21.089   1.350   3.494
  212    HB   THR  23           HB       THR  23 -21.360  -0.458   1.018
  213    HG1  THR  23           HG1      THR  23 -21.462   1.527  -0.111
  214   1HG2  THR  23          HG21      THR  23 -23.595  -0.082   1.701
  215   2HG2  THR  23          HG22      THR  23 -23.346   1.486   0.945
  216   3HG2  THR  23          HG23      THR  23 -23.166   1.308   2.685
  217    H    HIS  24           HN       HIS  24 -19.002  -1.315   2.974
  218    HA   HIS  24           HA       HIS  24 -20.817  -3.355   4.014
  219   1HB   HIS  24           HB1      HIS  24 -18.464  -4.539   4.376
  220   2HB   HIS  24           HB2      HIS  24 -17.834  -3.176   3.459
  221    HD1  HIS  24           HD1      HIS  24 -20.265  -5.982   3.010
  222    HD2  HIS  24           HD2      HIS  24 -18.224  -3.291   0.733
  223    HE1  HIS  24           HE1      HIS  24 -20.594  -6.701   0.668
  224    H    THR  25           HN       THR  25 -19.619  -0.717   5.434
  225    HA   THR  25           HA       THR  25 -18.813  -2.002   7.972
  226    HB   THR  25           HB       THR  25 -18.351   0.435   8.596
  227    HG1  THR  25           HG1      THR  25 -18.630   1.694   6.484
  228   1HG2  THR  25          HG21      THR  25 -16.649  -0.886   7.133
  229   2HG2  THR  25          HG22      THR  25 -16.587   0.864   6.945
  230   3HG2  THR  25          HG23      THR  25 -17.414  -0.122   5.744
  231    H    ASP  26           HN       ASP  26 -20.198   0.963   8.425
  232    HA   ASP  26           HA       ASP  26 -22.933   0.007   8.860
  233   1HB   ASP  26           HB1      ASP  26 -22.818   0.797  11.299
  234   2HB   ASP  26           HB2      ASP  26 -21.070   0.908  11.115
  235    H    VAL  27           HN       VAL  27 -21.471   1.913   7.274
  236    HA   VAL  27           HA       VAL  27 -22.252   4.534   8.387
  237    HB   VAL  27           HB       VAL  27 -20.096   4.319   7.204
  238   1HG1  VAL  27          HG11      VAL  27 -21.744   3.511   4.791
  239   2HG1  VAL  27          HG12      VAL  27 -20.762   2.418   5.749
  240   3HG1  VAL  27          HG13      VAL  27 -19.996   3.705   4.835
  241   1HG2  VAL  27          HG21      VAL  27 -22.036   6.258   6.665
  242   2HG2  VAL  27          HG22      VAL  27 -21.427   5.812   5.073
  243   3HG2  VAL  27          HG23      VAL  27 -20.316   6.389   6.311
  244    NH1  ARG  28           NH2      ARG  28 -25.136  -2.560   6.379
  245    NH2  ARG  28           NH1      ARG  28 -25.111  -1.543   8.425
  246    H    ARG  28           HN       ARG  28 -24.438   2.968   8.026
  247    HA   ARG  28           HA       ARG  28 -25.774   4.086   5.604
  248   1HB   ARG  28           HB1      ARG  28 -27.422   2.152   6.122
  249   2HB   ARG  28           HB2      ARG  28 -26.179   1.551   7.210
  250   1HG   ARG  28           HG1      ARG  28 -24.622   1.895   5.094
  251   2HG   ARG  28           HG2      ARG  28 -26.142   1.765   4.221
  252   1HD   ARG  28           HD1      ARG  28 -25.113  -0.460   4.456
  253   2HD   ARG  28           HD2      ARG  28 -26.605  -0.385   5.392
  254    HE   ARG  28           HE       ARG  28 -24.201   0.303   6.923
  255   1HH1  ARG  28          HH21      ARG  28 -25.071  -2.484   5.383
  256   2HH1  ARG  28          HH22      ARG  28 -25.283  -3.453   6.803
  257   1HH2  ARG  28          HH11      ARG  28 -25.026  -0.705   8.962
  258   2HH2  ARG  28          HH12      ARG  28 -25.257  -2.420   8.883
  259    HA   PRO  29           HA       PRO  29 -27.659   6.176   9.294
  260   1HB   PRO  29           HB1      PRO  29 -27.322   8.397   8.815
  261   2HB   PRO  29           HB2      PRO  29 -28.454   8.309   7.465
  262   1HG   PRO  29           HG1      PRO  29 -25.530   8.348   7.380
  263   2HG   PRO  29           HG2      PRO  29 -26.665   8.451   6.033
  264   1HD   PRO  29           HD1      PRO  29 -26.316   6.267   5.499
  265   2HD   PRO  29           HD2      PRO  29 -25.034   6.216   6.721
  266    OH   TYR  30           OH       TYR  30 -30.031  10.571   2.632
  267    H    TYR  30           HN       TYR  30 -28.938   5.861   6.003
  268    HA   TYR  30           HA       TYR  30 -31.689   6.279   6.736
  269   1HB   TYR  30           HB1      TYR  30 -32.139   5.128   4.519
  270   2HB   TYR  30           HB2      TYR  30 -30.430   4.719   4.423
  271    HD1  TYR  30           HD1      TYR  30 -32.714   7.652   4.816
  272    HD2  TYR  30           HD2      TYR  30 -28.919   6.267   3.486
  273    HE1  TYR  30           HE1      TYR  30 -32.231   9.868   3.885
  274    HE2  TYR  30           HE2      TYR  30 -28.438   8.481   2.554
  275    HH   TYR  30           HH       TYR  30 -30.415  11.228   3.216
  276    H    HIS  31           HN       HIS  31 -32.721   5.056   8.183
  277    HA   HIS  31           HA       HIS  31 -32.355   2.077   8.048
  278   1HB   HIS  31           HB1      HIS  31 -32.824   2.081  10.511
  279   2HB   HIS  31           HB2      HIS  31 -32.951   3.837  10.476
  280    HD1  HIS  31           HD1      HIS  31 -30.385   1.299   9.599
  281    HD2  HIS  31           HD2      HIS  31 -30.592   5.111  10.963
  282    HE1  HIS  31           HE1      HIS  31 -28.083   1.925  10.048
  283    H    CYS  32           HN       CYS  32 -34.188   0.854   7.877
  284    HA   CYS  32           HA       CYS  32 -36.661   2.137   7.216
  285   1HB   CYS  32           HB1      CYS  32 -35.900  -0.695   8.004
  286   2HB   CYS  32           HB2      CYS  32 -36.366  -0.103   6.429
  287    H    THR  33           HN       THR  33 -38.621   2.247   8.390
  288    HA   THR  33           HA       THR  33 -38.201   2.764  11.241
  289    HB   THR  33           HB       THR  33 -40.873   2.771   9.724
  290    HG1  THR  33           HG1      THR  33 -38.895   4.795  10.010
  291   1HG2  THR  33          HG21      THR  33 -40.047   4.913  11.644
  292   2HG2  THR  33          HG22      THR  33 -40.277   3.336  12.394
  293   3HG2  THR  33          HG23      THR  33 -41.602   4.095  11.517
  294    OH   TYR  34           OH       TYR  34 -44.919   1.699   9.930
  295    H    TYR  34           HN       TYR  34 -38.318  -0.014   9.813
  296    HA   TYR  34           HA       TYR  34 -39.799  -1.306  12.037
  297   1HB   TYR  34           HB1      TYR  34 -40.879  -2.884  10.425
  298   2HB   TYR  34           HB2      TYR  34 -40.133  -2.031   9.081
  299    HD1  TYR  34           HD2      TYR  34 -40.802   0.354   8.612
  300    HD2  TYR  34           HD1      TYR  34 -42.855  -2.019  11.485
  301    HE1  TYR  34           HE2      TYR  34 -42.701   1.904   8.537
  302    HE2  TYR  34           HE1      TYR  34 -44.753  -0.467  11.406
  303    HH   TYR  34           HH       TYR  34 -44.971   2.140  10.781
  304    H    CYS  35           HN       CYS  35 -38.235  -2.351   9.022
  305    HA   CYS  35           HA       CYS  35 -36.956  -4.611  10.226
  306   1HB   CYS  35           HB1      CYS  35 -35.716  -4.763   8.148
  307   2HB   CYS  35           HB2      CYS  35 -35.959  -3.076   7.805
  308    H    ASN  36           HN       ASN  36 -34.585  -4.913  10.253
  309    HA   ASN  36           HA       ASN  36 -33.338  -2.588  11.616
  310   1HB   ASN  36           HB1      ASN  36 -32.163  -5.388  11.371
  311   2HB   ASN  36           HB2      ASN  36 -33.423  -5.049  12.553
  312   1HD2  ASN  36          HD21      ASN  36 -32.509  -4.641  14.553
  313   2HD2  ASN  36          HD22      ASN  36 -31.069  -3.782  14.819
  314    H    PHE  37           HN       PHE  37 -33.680  -3.395   8.612
  315    HA   PHE  37           HA       PHE  37 -30.909  -3.523   7.688
  316   1HB   PHE  37           HB1      PHE  37 -33.280  -2.802   5.946
  317   2HB   PHE  37           HB2      PHE  37 -33.124  -4.444   6.560
  318    HD1  PHE  37           HD2      PHE  37 -30.816  -5.614   6.173
  319    HD2  PHE  37           HD1      PHE  37 -32.091  -2.171   4.017
  320    HE1  PHE  37           HE2      PHE  37 -29.183  -6.110   4.406
  321    HE2  PHE  37           HE1      PHE  37 -30.458  -2.673   2.252
  322    HZ   PHE  37           HZ       PHE  37 -29.003  -4.642   2.447
  323    H    SER  38           HN       SER  38 -29.845  -1.917   6.482
  324    HA   SER  38           HA       SER  38 -31.027   0.800   6.632
  325   1HB   SER  38           HB1      SER  38 -28.120   0.301   7.345
  326   2HB   SER  38           HB2      SER  38 -29.378   0.216   8.582
  327    HG   SER  38           HG1      SER  38 -29.265   2.340   6.736
  328    H    PHE  39           HN       PHE  39 -30.283   2.251   5.103
  329    HA   PHE  39           HA       PHE  39 -28.678   1.031   2.897
  330   1HB   PHE  39           HB1      PHE  39 -30.115   2.132   1.356
  331   2HB   PHE  39           HB2      PHE  39 -30.641   3.312   2.556
  332    HD1  PHE  39           HD2      PHE  39 -32.046   2.457   4.540
  333    HD2  PHE  39           HD1      PHE  39 -31.355   0.120   1.047
  334    HE1  PHE  39           HE2      PHE  39 -33.948   1.018   5.121
  335    HE2  PHE  39           HE1      PHE  39 -33.273  -1.300   1.622
  336    HZ   PHE  39           HZ       PHE  39 -34.566  -0.856   3.662
  337    H    LYS  40           HN       LYS  40 -27.389   2.491   1.650
  338    HA   LYS  40           HA       LYS  40 -26.119   4.534   3.344
  339   1HB   LYS  40           HB1      LYS  40 -25.483   3.327   0.616
  340   2HB   LYS  40           HB2      LYS  40 -24.695   2.961   2.131
  341   1HG   LYS  40           HG1      LYS  40 -24.574   5.621   0.665
  342   2HG   LYS  40           HG2      LYS  40 -23.274   4.452   0.803
  343   1HD   LYS  40           HD1      LYS  40 -23.549   4.702   3.350
  344   2HD   LYS  40           HD2      LYS  40 -24.480   6.149   2.987
  345   1HE   LYS  40           HE1      LYS  40 -22.321   7.026   3.176
  346   2HE   LYS  40           HE2      LYS  40 -22.427   6.734   1.444
  347   1HZ   LYS  40           HZ1      LYS  40 -20.363   5.903   2.396
  348   2HZ   LYS  40           HZ2      LYS  40 -21.294   4.646   1.738
  349   3HZ   LYS  40           HZ3      LYS  40 -21.239   4.870   3.420
  350    H    THR  41           HN       THR  41 -28.407   4.383   0.814
  351    HA   THR  41           HA       THR  41 -28.189   7.346   0.497
  352    HB   THR  41           HB       THR  41 -28.426   7.144  -1.898
  353    HG1  THR  41           HG1      THR  41 -30.152   5.652  -1.702
  354   1HG2  THR  41          HG21      THR  41 -26.214   6.046  -0.955
  355   2HG2  THR  41          HG22      THR  41 -26.690   5.549  -2.575
  356   3HG2  THR  41          HG23      THR  41 -27.026   4.502  -1.198
  357    H    LYS  42           HN       LYS  42 -30.105   8.410  -0.098
  358    HA   LYS  42           HA       LYS  42 -32.419   7.367   1.240
  359   1HB   LYS  42           HB1      LYS  42 -32.108   9.768  -0.623
  360   2HB   LYS  42           HB2      LYS  42 -31.887   9.808   1.122
  361   1HG   LYS  42           HG1      LYS  42 -34.264   9.003   1.373
  362   2HG   LYS  42           HG2      LYS  42 -34.455   9.173  -0.368
  363   1HD   LYS  42           HD1      LYS  42 -33.292  11.595   0.563
  364   2HD   LYS  42           HD2      LYS  42 -34.616  11.216   1.658
  365   1HE   LYS  42           HE1      LYS  42 -34.801  11.312  -1.372
  366   2HE   LYS  42           HE2      LYS  42 -35.420  12.536  -0.271
  367   1HZ   LYS  42           HZ1      LYS  42 -36.895  10.886   0.685
  368   2HZ   LYS  42           HZ2      LYS  42 -36.295   9.704  -0.374
  369   3HZ   LYS  42           HZ3      LYS  42 -37.157  11.032  -0.987
  370    H    GLY  43           HN       GLY  43 -31.203   7.184  -1.954
  371   1HA   GLY  43           HA1      GLY  43 -32.101   6.230  -3.906
  372   2HA   GLY  43           HA2      GLY  43 -33.654   6.898  -3.404
  373    H    ASN  44           HN       ASN  44 -31.425   4.313  -2.385
  374    HA   ASN  44           HA       ASN  44 -33.167   2.174  -2.877
  375   1HB   ASN  44           HB1      ASN  44 -31.771   1.002  -1.061
  376   2HB   ASN  44           HB2      ASN  44 -30.974   2.547  -0.789
  377   1HD2  ASN  44          HD21      ASN  44 -30.351   3.589  -3.145
  378   2HD2  ASN  44          HD22      ASN  44 -29.506   2.515  -4.150
  379    H    LEU  45           HN       LEU  45 -32.893   4.255  -0.047
  380    HA   LEU  45           HA       LEU  45 -34.556   2.777   1.702
  381   1HB   LEU  45           HB1      LEU  45 -34.153   5.800   1.388
  382   2HB   LEU  45           HB2      LEU  45 -33.248   4.742   2.448
  383    HG   LEU  45           HG       LEU  45 -34.813   5.817   3.881
  384   1HD1  LEU  45          HD11      LEU  45 -36.872   6.587   3.282
  385   2HD1  LEU  45          HD12      LEU  45 -37.329   5.078   2.508
  386   3HD1  LEU  45          HD13      LEU  45 -36.361   6.254   1.636
  387   1HD2  LEU  45          HD21      LEU  45 -36.233   3.221   3.210
  388   2HD2  LEU  45          HD22      LEU  45 -36.094   4.010   4.774
  389   3HD2  LEU  45          HD23      LEU  45 -34.680   3.271   4.034
  390    H    THR  46           HN       THR  46 -35.379   5.362  -0.589
  391    HA   THR  46           HA       THR  46 -38.176   5.373  -0.111
  392    HB   THR  46           HB       THR  46 -36.783   5.853  -2.814
  393    HG1  THR  46           HG1      THR  46 -36.191   6.874  -0.554
  394   1HG2  THR  46          HG21      THR  46 -38.636   7.359  -3.217
  395   2HG2  THR  46          HG22      THR  46 -39.086   7.385  -1.515
  396   3HG2  THR  46          HG23      THR  46 -39.421   5.959  -2.492
  397    H    LYS  47           HN       LYS  47 -36.175   3.303  -2.127
  398    HA   LYS  47           HA       LYS  47 -38.343   2.071  -3.551
  399   1HB   LYS  47           HB1      LYS  47 -35.595   0.939  -2.820
  400   2HB   LYS  47           HB2      LYS  47 -35.940   1.908  -4.245
  401   1HG   LYS  47           HG1      LYS  47 -36.337  -0.085  -5.277
  402   2HG   LYS  47           HG2      LYS  47 -37.876  -0.045  -4.429
  403   1HD   LYS  47           HD1      LYS  47 -37.049  -2.140  -3.797
  404   2HD   LYS  47           HD2      LYS  47 -36.503  -1.140  -2.457
  405   1HE   LYS  47           HE1      LYS  47 -34.614  -2.463  -3.193
  406   2HE   LYS  47           HE2      LYS  47 -34.326  -0.809  -3.716
  407   1HZ   LYS  47           HZ1      LYS  47 -35.029  -3.164  -5.305
  408   2HZ   LYS  47           HZ2      LYS  47 -33.888  -1.945  -5.618
  409   3HZ   LYS  47           HZ3      LYS  47 -35.542  -1.637  -5.846
  410    H    HIS  48           HN       HIS  48 -36.635   1.194  -0.561
  411    HA   HIS  48           HA       HIS  48 -37.981  -1.281  -0.137
  412   1HB   HIS  48           HB1      HIS  48 -36.918   0.746   1.901
  413   2HB   HIS  48           HB2      HIS  48 -35.997  -0.580   1.196
  414    HD1  HIS  48           HD1      HIS  48 -37.743  -2.894   1.552
  415    HD2  HIS  48           HD2      HIS  48 -37.614  -0.016   4.451
  416    HE1  HIS  48           HE1      HIS  48 -38.530  -3.991   3.594
  417    H    MET  49           HN       MET  49 -38.877   2.035   0.580
  418    HA   MET  49           HA       MET  49 -41.227   1.263   2.128
  419   1HB   MET  49           HB1      MET  49 -41.767   3.799   1.658
  420   2HB   MET  49           HB2      MET  49 -40.153   3.856   0.957
  421   1HG   MET  49           HG1      MET  49 -40.075   4.499   3.308
  422   2HG   MET  49           HG2      MET  49 -39.195   3.018   3.042
  423   1HE   MET  49           HE1      MET  49 -40.947   4.765   5.578
  424   2HE   MET  49           HE2      MET  49 -39.453   3.838   5.728
  425   3HE   MET  49           HE3      MET  49 -40.862   3.403   6.695
  426    H    LYS  50           HN       LYS  50 -40.528   2.185  -1.191
  427    HA   LYS  50           HA       LYS  50 -43.044   2.705  -2.227
  428   1HB   LYS  50           HB1      LYS  50 -41.157   0.748  -3.595
  429   2HB   LYS  50           HB2      LYS  50 -40.730   2.447  -3.432
  430   1HG   LYS  50           HG1      LYS  50 -43.454   1.788  -4.489
  431   2HG   LYS  50           HG2      LYS  50 -42.081   1.546  -5.562
  432   1HD   LYS  50           HD1      LYS  50 -42.245   4.120  -4.033
  433   2HD   LYS  50           HD2      LYS  50 -43.304   3.909  -5.422
  434   1HE   LYS  50           HE1      LYS  50 -41.369   3.387  -6.848
  435   2HE   LYS  50           HE2      LYS  50 -40.291   3.529  -5.464
  436   1HZ   LYS  50           HZ1      LYS  50 -41.659   5.613  -6.978
  437   2HZ   LYS  50           HZ2      LYS  50 -40.098   5.600  -6.308
  438   3HZ   LYS  50           HZ3      LYS  50 -41.447   5.870  -5.313
  439    H    SER  51           HN       SER  51 -41.603  -0.550  -2.010
  440    HA   SER  51           HA       SER  51 -43.875  -2.000  -2.812
  441   1HB   SER  51           HB1      SER  51 -42.117  -3.028  -0.556
  442   2HB   SER  51           HB2      SER  51 -41.418  -2.798  -2.171
  443    HG   SER  51           HG1      SER  51 -42.355  -4.653  -2.552
  444    H    LYS  52           HN       LYS  52 -45.552  -3.006  -1.672
  445    HA   LYS  52           HA       LYS  52 -46.565  -1.431   0.555
  446   1HB   LYS  52           HB1      LYS  52 -48.416  -3.222   0.477
  447   2HB   LYS  52           HB2      LYS  52 -47.525  -3.969  -0.845
  448   1HG   LYS  52           HG1      LYS  52 -47.727  -1.972  -2.202
  449   2HG   LYS  52           HG2      LYS  52 -48.404  -1.064  -0.854
  450   1HD   LYS  52           HD1      LYS  52 -50.311  -2.747  -0.815
  451   2HD   LYS  52           HD2      LYS  52 -49.679  -3.388  -2.327
  452   1HE   LYS  52           HE1      LYS  52 -51.399  -1.752  -2.855
  453   2HE   LYS  52           HE2      LYS  52 -49.840  -1.073  -3.302
  454   1HZ   LYS  52           HZ1      LYS  52 -51.661  -0.298  -1.172
  455   2HZ   LYS  52           HZ2      LYS  52 -50.639   0.658  -2.134
  456   3HZ   LYS  52           HZ3      LYS  52 -50.003  -0.209  -0.819
  457    H    ALA  53           HN       ALA  53 -44.100  -2.629   1.196
  458    HA   ALA  53           HA       ALA  53 -44.336  -5.066   2.649
  459   1HB   ALA  53           HB1      ALA  53 -42.511  -2.645   3.047
  460   2HB   ALA  53           HB2      ALA  53 -42.135  -4.103   2.134
  461   3HB   ALA  53           HB3      ALA  53 -42.288  -4.177   3.886
  462    H    HIS  54           HN       HIS  54 -43.509  -2.221   4.504
  463    HA   HIS  54           HA       HIS  54 -46.003  -2.467   6.075
  464   1HB   HIS  54           HB1      HIS  54 -44.735  -3.902   7.420
  465   2HB   HIS  54           HB2      HIS  54 -44.303  -2.360   8.148
  466    HD1  HIS  54           HD1      HIS  54 -42.801  -5.179   6.560
  467    HD2  HIS  54           HD2      HIS  54 -41.731  -1.262   7.045
  468    HE1  HIS  54           HE1      HIS  54 -40.378  -5.111   6.204
  469    H    SER  55           HN       SER  55 -46.427  -0.378   5.248
  470    HA   SER  55           HA       SER  55 -45.188   1.728   6.895
  471   1HB   SER  55           HB1      SER  55 -43.772   1.607   4.794
  472   2HB   SER  55           HB2      SER  55 -44.668   3.137   4.868
  473    HG   SER  55           HG1      SER  55 -46.240   1.227   3.860
  474    H    LYS  56           HN       LYS  56 -47.677   0.908   7.260
  475    HA   LYS  56           HA       LYS  56 -49.742   1.961   5.660
  476   1HB   LYS  56           HB1      LYS  56 -51.130   1.784   7.661
  477   2HB   LYS  56           HB2      LYS  56 -49.728   1.929   8.715
  478   1HG   LYS  56           HG1      LYS  56 -49.436  -0.253   6.784
  479   2HG   LYS  56           HG2      LYS  56 -50.849  -0.463   7.810
  480   1HD   LYS  56           HD1      LYS  56 -48.117   0.239   8.922
  481   2HD   LYS  56           HD2      LYS  56 -48.658  -1.424   8.727
  482   1HE   LYS  56           HE1      LYS  56 -50.680   0.235  10.036
  483   2HE   LYS  56           HE2      LYS  56 -49.166   0.220  10.929
  484   1HZ   LYS  56           HZ1      LYS  56 -50.949  -1.626  11.285
  485   2HZ   LYS  56           HZ2      LYS  56 -49.294  -2.006  11.307
  486   3HZ   LYS  56           HZ3      LYS  56 -50.220  -2.318   9.917
  487    H    LYS  57           HN       LYS  57 -47.523   3.582   7.766
  488    HA   LYS  57           HA       LYS  57 -48.241   6.150   6.746
  489   1HB   LYS  57           HB1      LYS  57 -48.950   5.711   9.677
  490   2HB   LYS  57           HB2      LYS  57 -50.155   5.615   8.401
  491   1HG   LYS  57           HG1      LYS  57 -49.880   7.898   7.813
  492   2HG   LYS  57           HG2      LYS  57 -48.348   8.021   8.671
  493   1HD   LYS  57           HD1      LYS  57 -50.190   9.097   9.941
  494   2HD   LYS  57           HD2      LYS  57 -49.510   7.733  10.822
  495   1HE   LYS  57           HE1      LYS  57 -51.360   6.358  10.381
  496   2HE   LYS  57           HE2      LYS  57 -51.852   7.304   8.981
  497   1HZ   LYS  57           HZ1      LYS  57 -51.901   8.987  11.199
  498   2HZ   LYS  57           HZ2      LYS  57 -52.698   7.553  11.638
  499   3HZ   LYS  57                 LYS  57 -53.213   8.428  10.277
   
  Start of MODEL          44
 Raw file had 499 H/Q atoms
  Start of MODEL   44
    1   1H    LYS   1           HT1      LYS   1 -11.948 -11.483  -7.527
    2   2H    LYS   1           HT2      LYS   1 -10.498 -10.762  -8.041
    3   3H    LYS   1           HT3      LYS   1 -11.892  -9.813  -7.836
    4    HA   LYS   1           HA       LYS   1 -11.050 -11.316  -5.508
    5   1HB   LYS   1           HB1      LYS   1  -9.412  -9.296  -5.048
    6   2HB   LYS   1           HB2      LYS   1  -9.409  -9.101  -6.796
    7   1HG   LYS   1           HG1      LYS   1  -8.596 -11.378  -7.103
    8   2HG   LYS   1           HG2      LYS   1  -8.762 -11.712  -5.386
    9   1HD   LYS   1           HD1      LYS   1  -6.410 -11.210  -5.939
   10   2HD   LYS   1           HD2      LYS   1  -7.073  -9.977  -4.875
   11   1HE   LYS   1           HE1      LYS   1  -5.720  -9.234  -6.998
   12   2HE   LYS   1           HE2      LYS   1  -7.196  -8.377  -6.586
   13   1HZ   LYS   1           HZ1      LYS   1  -6.831  -9.187  -8.983
   14   2HZ   LYS   1           HZ2      LYS   1  -8.360  -9.383  -8.274
   15   3HZ   LYS   1           HZ3      LYS   1  -7.299 -10.704  -8.382
   16    OH   TYR   2           OH       TYR   2  -7.924  -4.175  -5.959
   17    H    TYR   2           HN       TYR   2 -12.193  -8.466  -7.182
   18    HA   TYR   2           HA       TYR   2 -13.154  -7.279  -4.647
   19   1HB   TYR   2           HB1      TYR   2 -13.921  -5.424  -6.148
   20   2HB   TYR   2           HB2      TYR   2 -13.425  -6.367  -7.554
   21    HD1  TYR   2           HD2      TYR   2 -12.161  -4.737  -4.464
   22    HD2  TYR   2           HD1      TYR   2 -11.126  -6.436  -8.223
   23    HE1  TYR   2           HE2      TYR   2  -9.881  -3.862  -4.234
   24    HE2  TYR   2           HE1      TYR   2  -8.843  -5.571  -7.987
   25    HH   TYR   2           HH       TYR   2  -7.323  -4.924  -5.944
   26    H    ILE   3           HN       ILE   3 -14.474  -9.406  -4.526
   27    HA   ILE   3           HA       ILE   3 -17.161  -8.859  -5.731
   28    HB   ILE   3           HB       ILE   3 -15.734 -11.519  -5.255
   29   1HG1  ILE   3          HG11      ILE   3 -15.713  -9.814  -7.445
   30   2HG1  ILE   3          HG12      ILE   3 -16.976 -10.965  -7.863
   31   1HG2  ILE   3          HG21      ILE   3 -18.054 -11.884  -4.652
   32   2HG2  ILE   3          HG22      ILE   3 -17.942 -12.411  -6.326
   33   3HG2  ILE   3          HG23      ILE   3 -18.633 -10.837  -5.945
   34   1HD1  ILE   3           HD1      ILE   3 -15.355 -12.818  -7.218
   35   2HD1  ILE   3           HD2      ILE   3 -14.106 -11.583  -7.100
   36   3HD1  ILE   3           HD3      ILE   3 -14.890 -11.896  -8.646
   37    H    CYS   4           HN       CYS   4 -18.433  -8.186  -4.086
   38    HA   CYS   4           HA       CYS   4 -17.954  -8.562  -1.357
   39   1HB   CYS   4           HB1      CYS   4 -20.502  -8.185  -2.919
   40   2HB   CYS   4           HB2      CYS   4 -19.654  -7.010  -1.955
   41    H    GLU   5           HN       GLU   5 -18.095 -10.205  -0.029
   42    HA   GLU   5           HA       GLU   5 -18.713 -12.832  -0.974
   43   1HB   GLU   5           HB1      GLU   5 -18.411 -13.460   1.446
   44   2HB   GLU   5           HB2      GLU   5 -18.373 -11.750   1.858
   45   1HG   GLU   5           HG1      GLU   5 -16.348 -11.399   0.625
   46   2HG   GLU   5           HG2      GLU   5 -16.478 -12.967  -0.168
   47    H    GLU   6           HN       GLU   6 -20.707 -10.337   0.216
   48    HA   GLU   6           HA       GLU   6 -22.792 -12.246   1.045
   49   1HB   GLU   6           HB1      GLU   6 -22.867  -9.210   1.182
   50   2HB   GLU   6           HB2      GLU   6 -22.187 -10.205   2.463
   51   1HG   GLU   6           HG1      GLU   6 -24.376 -11.410   2.633
   52   2HG   GLU   6           HG2      GLU   6 -25.042 -10.314   1.425
   53    H    CYS   7           HN       CYS   7 -23.033  -9.117  -0.613
   54    HA   CYS   7           HA       CYS   7 -25.334  -9.998  -2.109
   55   1HB   CYS   7           HB1      CYS   7 -25.356  -7.843  -3.028
   56   2HB   CYS   7           HB2      CYS   7 -23.625  -7.703  -3.014
   57    H    GLY   8           HN       GLY   8 -21.886  -9.782  -2.844
   58   1HA   GLY   8           HA1      GLY   8 -22.408 -11.403  -5.270
   59   2HA   GLY   8           HA2      GLY   8 -20.832 -11.141  -4.535
   60    H    ILE   9           HN       ILE   9 -21.920  -8.168  -4.423
   61    HA   ILE   9           HA       ILE   9 -22.156  -7.168  -7.020
   62    HB   ILE   9           HB       ILE   9 -22.251  -5.957  -4.684
   63   1HG1  ILE   9          HG11      ILE   9 -21.325  -4.883  -7.320
   64   2HG1  ILE   9          HG12      ILE   9 -21.306  -3.799  -5.933
   65   1HG2  ILE   9          HG21      ILE   9 -20.210  -4.919  -3.952
   66   2HG2  ILE   9          HG22      ILE   9 -19.388  -5.245  -5.464
   67   3HG2  ILE   9          HG23      ILE   9 -19.717  -6.551  -4.338
   68   1HD1  ILE   9           HD1      ILE   9 -23.658  -4.132  -5.533
   69   2HD1  ILE   9           HD2      ILE   9 -23.727  -5.464  -6.682
   70   3HD1  ILE   9           HD3      ILE   9 -23.484  -3.819  -7.258
   71    NH1  ARG  10           NH1      ARG  10 -18.461 -10.785 -14.302
   72    NH2  ARG  10           NH2      ARG  10 -20.484 -10.626 -13.253
   73    H    ARG  10           HN       ARG  10 -20.781  -6.746  -8.668
   74    HA   ARG  10           HA       ARG  10 -17.939  -7.576  -8.259
   75   1HB   ARG  10           HB1      ARG  10 -19.476  -7.357 -10.885
   76   2HB   ARG  10           HB2      ARG  10 -19.439  -8.831  -9.928
   77   1HG   ARG  10           HG1      ARG  10 -16.825  -8.518 -10.028
   78   2HG   ARG  10           HG2      ARG  10 -17.184  -7.475 -11.398
   79   1HD   ARG  10           HD1      ARG  10 -18.011 -10.380 -11.084
   80   2HD   ARG  10           HD2      ARG  10 -16.801  -9.753 -12.202
   81    HE   ARG  10           HE       ARG  10 -19.150  -8.350 -12.795
   82   1HH1  ARG  10          HH11      ARG  10 -17.522 -10.458 -14.405
   83   2HH1  ARG  10          HH12      ARG  10 -18.795 -11.535 -14.874
   84   1HH2  ARG  10          HH21      ARG  10 -21.061 -10.179 -12.569
   85   2HH2  ARG  10          HH22      ARG  10 -20.851 -11.374 -13.807
   86    H    ABA  11           HN       ABU  11 -16.691  -5.862  -7.969
   87    HA   ABA  11           HA       ABU  11 -16.982  -3.580  -9.882
   88   1HB   ABA  11           HB1      ABU  11 -16.440  -2.035  -8.047
   89   2HB   ABA  11           HB2      ABU  11 -16.195  -3.372  -6.941
   90   1HG   ABA  11           HG1      ABU  11 -18.812  -2.552  -8.234
   91   2HG   ABA  11           HG2      ABU  11 -18.405  -2.451  -6.524
   92   3HG   ABA  11           HG3      ABU  11 -18.606  -4.021  -7.291
   93    H    LYS  12           HN       LYS  12 -15.282  -4.083 -11.168
   94    HA   LYS  12           HA       LYS  12 -12.822  -5.189 -10.353
   95   1HB   LYS  12           HB1      LYS  12 -11.973  -4.211 -12.540
   96   2HB   LYS  12           HB2      LYS  12 -13.492  -3.335 -12.682
   97   1HG   LYS  12           HG1      LYS  12 -14.398  -5.169 -13.641
   98   2HG   LYS  12           HG2      LYS  12 -14.211  -6.007 -12.106
   99   1HD   LYS  12           HD1      LYS  12 -11.813  -6.522 -12.806
  100   2HD   LYS  12           HD2      LYS  12 -12.234  -5.912 -14.404
  101   1HE   LYS  12           HE1      LYS  12 -12.925  -8.034 -14.837
  102   2HE   LYS  12           HE2      LYS  12 -14.330  -7.632 -13.857
  103   1HZ   LYS  12           HZ1      LYS  12 -11.871  -8.590 -12.562
  104   2HZ   LYS  12           HZ2      LYS  12 -12.930  -9.701 -13.290
  105   3HZ   LYS  12           HZ3      LYS  12 -13.482  -8.702 -12.032
  106    H    LYS  13           HN       LYS  13 -14.013  -2.309  -9.331
  107    HA   LYS  13           HA       LYS  13 -11.304  -1.083  -9.147
  108   1HB   LYS  13           HB1      LYS  13 -12.660   1.061  -8.706
  109   2HB   LYS  13           HB2      LYS  13 -14.087   0.133  -9.150
  110   1HG   LYS  13           HG1      LYS  13 -13.185  -0.311 -11.362
  111   2HG   LYS  13           HG2      LYS  13 -11.649   0.432 -10.928
  112   1HD   LYS  13           HD1      LYS  13 -12.633   2.607 -10.772
  113   2HD   LYS  13           HD2      LYS  13 -14.265   1.949 -10.792
  114   1HE   LYS  13           HE1      LYS  13 -13.721   2.868 -12.999
  115   2HE   LYS  13           HE2      LYS  13 -13.876   1.120 -13.109
  116   1HZ   LYS  13           HZ1      LYS  13 -11.215   1.967 -12.478
  117   2HZ   LYS  13           HZ2      LYS  13 -11.763   2.583 -13.963
  118   3HZ   LYS  13           HZ3      LYS  13 -11.759   0.907 -13.688
  119    HA   PRO  14           HA       PRO  14 -11.606  -1.842  -4.739
  120   1HB   PRO  14           HB1      PRO  14  -9.438  -1.293  -4.173
  121   2HB   PRO  14           HB2      PRO  14  -9.952   0.384  -3.982
  122   1HG   PRO  14           HG1      PRO  14  -8.209  -0.626  -5.994
  123   2HG   PRO  14           HG2      PRO  14  -8.920   0.989  -5.942
  124   1HD   PRO  14           HD1      PRO  14 -10.142   0.428  -7.796
  125   2HD   PRO  14           HD2      PRO  14  -9.594  -1.257  -7.684
  126    H    SER  15           HN       SER  15 -11.187   1.673  -5.187
  127    HA   SER  15           HA       SER  15 -12.662   2.715  -3.162
  128   1HB   SER  15           HB1      SER  15 -11.651   3.999  -5.155
  129   2HB   SER  15           HB2      SER  15 -13.242   4.609  -4.657
  130    HG   SER  15           HG1      SER  15 -12.941   4.061  -6.973
  131    H    MET  16           HN       MET  16 -14.053   1.251  -6.059
  132    HA   MET  16           HA       MET  16 -16.779   1.834  -5.293
  133   1HB   MET  16           HB1      MET  16 -17.210  -0.080  -7.025
  134   2HB   MET  16           HB2      MET  16 -15.467  -0.066  -7.269
  135   1HG   MET  16           HG1      MET  16 -16.509   1.392  -8.898
  136   2HG   MET  16           HG2      MET  16 -15.557   2.336  -7.783
  137   1HE   MET  16           HE1      MET  16 -18.876   1.099  -8.904
  138   2HE   MET  16           HE2      MET  16 -18.597   2.554  -9.860
  139   3HE   MET  16           HE3      MET  16 -19.950   2.486  -8.730
  140    H    LEU  17           HN       LEU  17 -14.809  -1.162  -5.187
  141    HA   LEU  17           HA       LEU  17 -16.855  -2.611  -3.765
  142   1HB   LEU  17           HB1      LEU  17 -13.890  -3.249  -3.626
  143   2HB   LEU  17           HB2      LEU  17 -14.769  -3.507  -5.115
  144    HG   LEU  17           HG       LEU  17 -14.655  -5.577  -3.717
  145   1HD1  LEU  17          HD11      LEU  17 -15.650  -5.740  -1.576
  146   2HD1  LEU  17          HD12      LEU  17 -16.496  -4.212  -1.743
  147   3HD1  LEU  17          HD13      LEU  17 -14.753  -4.229  -1.525
  148   1HD2  LEU  17          HD21      LEU  17 -17.558  -4.810  -3.624
  149   2HD2  LEU  17          HD22      LEU  17 -16.800  -6.271  -4.237
  150   3HD2  LEU  17          HD23      LEU  17 -16.746  -4.791  -5.178
  151    H    LYS  18           HN       LYS  18 -13.664  -1.405  -2.726
  152    HA   LYS  18           HA       LYS  18 -13.694  -1.824  -0.040
  153   1HB   LYS  18           HB1      LYS  18 -12.580   0.473   0.202
  154   2HB   LYS  18           HB2      LYS  18 -12.996   0.786  -1.476
  155   1HG   LYS  18           HG1      LYS  18 -11.322  -0.548  -2.254
  156   2HG   LYS  18           HG2      LYS  18 -11.650  -1.807  -1.079
  157   1HD   LYS  18           HD1      LYS  18  -9.423  -0.825  -0.688
  158   2HD   LYS  18           HD2      LYS  18 -10.492  -0.476   0.666
  159   1HE   LYS  18           HE1      LYS  18 -10.636   1.776   0.149
  160   2HE   LYS  18           HE2      LYS  18 -10.436   1.502  -1.576
  161   1HZ   LYS  18           HZ1      LYS  18  -8.072   0.805  -0.926
  162   2HZ   LYS  18           HZ2      LYS  18  -8.379   1.634   0.524
  163   3HZ   LYS  18           HZ3      LYS  18  -8.454   2.460  -0.957
  164    H    LYS  19           HN       LYS  19 -15.462   0.795  -1.651
  165    HA   LYS  19           HA       LYS  19 -16.596   1.791   0.787
  166   1HB   LYS  19           HB1      LYS  19 -18.318   2.759  -0.981
  167   2HB   LYS  19           HB2      LYS  19 -17.199   2.101  -2.169
  168   1HG   LYS  19           HG1      LYS  19 -15.361   3.409  -1.199
  169   2HG   LYS  19           HG2      LYS  19 -16.435   4.024   0.052
  170   1HD   LYS  19           HD1      LYS  19 -17.846   5.090  -1.667
  171   2HD   LYS  19           HD2      LYS  19 -16.805   4.449  -2.933
  172   1HE   LYS  19           HE1      LYS  19 -14.878   5.683  -1.874
  173   2HE   LYS  19           HE2      LYS  19 -16.026   6.427  -0.769
  174   1HZ   LYS  19           HZ1      LYS  19 -15.901   7.971  -2.428
  175   2HZ   LYS  19           HZ2      LYS  19 -17.238   7.062  -2.949
  176   3HZ   LYS  19           HZ3      LYS  19 -15.715   6.816  -3.660
  177    H    HIS  20           HN       HIS  20 -17.700  -0.416  -1.729
  178    HA   HIS  20           HA       HIS  20 -20.341  -0.809  -0.803
  179   1HB   HIS  20           HB1      HIS  20 -18.443  -2.782  -2.133
  180   2HB   HIS  20           HB2      HIS  20 -19.526  -1.688  -2.987
  181    HD1  HIS  20           HD1      HIS  20 -21.759  -2.726  -3.386
  182    HD2  HIS  20           HD2      HIS  20 -19.807  -4.654  -0.385
  183    HE1  HIS  20           HE1      HIS  20 -23.205  -4.600  -2.763
  184    H    ILE  21           HN       ILE  21 -17.425  -2.765  -0.155
  185    HA   ILE  21           HA       ILE  21 -18.675  -4.550   1.646
  186    HB   ILE  21           HB       ILE  21 -16.171  -4.428   0.631
  187   1HG1  ILE  21          HG11      ILE  21 -17.012  -5.675   3.272
  188   2HG1  ILE  21          HG12      ILE  21 -15.502  -6.062   2.460
  189   1HG2  ILE  21          HG21      ILE  21 -15.725  -3.617   3.542
  190   2HG2  ILE  21          HG22      ILE  21 -15.727  -2.428   2.254
  191   3HG2  ILE  21          HG23      ILE  21 -14.537  -3.708   2.249
  192   1HD1  ILE  21           HD1      ILE  21 -16.606  -7.555   1.173
  193   2HD1  ILE  21           HD2      ILE  21 -17.572  -6.249   0.499
  194   3HD1  ILE  21           HD3      ILE  21 -18.130  -7.107   1.929
  195    NH1  ARG  22           NH2      ARG  22 -14.709   1.201   7.289
  196    NH2  ARG  22           NH1      ARG  22 -16.931   1.712   7.440
  197    H    ARG  22           HN       ARG  22 -17.516  -1.288   2.126
  198    HA   ARG  22           HA       ARG  22 -17.706  -1.450   5.038
  199   1HB   ARG  22           HB1      ARG  22 -17.690   1.171   4.697
  200   2HB   ARG  22           HB2      ARG  22 -17.398   0.797   3.004
  201   1HG   ARG  22           HG1      ARG  22 -15.344  -0.340   3.511
  202   2HG   ARG  22           HG2      ARG  22 -15.697  -0.364   5.235
  203   1HD   ARG  22           HD1      ARG  22 -15.215   2.137   3.582
  204   2HD   ARG  22           HD2      ARG  22 -14.062   1.411   4.700
  205    HE   ARG  22           HE       ARG  22 -16.123   3.183   5.480
  206   1HH1  ARG  22          HH21      ARG  22 -13.857   1.231   6.767
  207   2HH1  ARG  22          HH22      ARG  22 -14.727   0.768   8.190
  208   1HH2  ARG  22          HH11      ARG  22 -17.744   2.125   7.029
  209   2HH2  ARG  22          HH12      ARG  22 -16.987   1.287   8.343
  210    H    THR  23           HN       THR  23 -19.969  -1.072   2.501
  211    HA   THR  23           HA       THR  23 -21.873   0.467   4.071
  212    HB   THR  23           HB       THR  23 -22.468  -1.353   1.650
  213    HG1  THR  23           HG1      THR  23 -20.858   0.754   1.959
  214   1HG2  THR  23          HG21      THR  23 -23.890   0.996   1.345
  215   2HG2  THR  23          HG22      THR  23 -23.887   0.897   3.101
  216   3HG2  THR  23          HG23      THR  23 -24.584  -0.405   2.149
  217    H    HIS  24           HN       HIS  24 -20.778  -2.657   4.381
  218    HA   HIS  24           HA       HIS  24 -23.403  -3.739   5.290
  219   1HB   HIS  24           HB1      HIS  24 -21.855  -5.813   5.755
  220   2HB   HIS  24           HB2      HIS  24 -20.631  -4.929   4.852
  221    HD1  HIS  24           HD1      HIS  24 -24.168  -6.077   4.257
  222    HD2  HIS  24           HD2      HIS  24 -20.747  -5.345   2.163
  223    HE1  HIS  24           HE1      HIS  24 -24.623  -6.829   1.940
  224    H    THR  25           HN       THR  25 -21.189  -1.782   6.604
  225    HA   THR  25           HA       THR  25 -20.925  -3.182   9.194
  226    HB   THR  25           HB       THR  25 -19.764  -0.830   9.711
  227    HG1  THR  25           HG1      THR  25 -20.897  -0.455   7.418
  228   1HG2  THR  25          HG21      THR  25 -18.219  -2.652   9.301
  229   2HG2  THR  25          HG22      THR  25 -17.828  -1.491   8.035
  230   3HG2  THR  25          HG23      THR  25 -18.831  -2.891   7.667
  231    H    ASP  26           HN       ASP  26 -21.335   0.235   9.111
  232    HA   ASP  26           HA       ASP  26 -24.136   0.132   9.936
  233   1HB   ASP  26           HB1      ASP  26 -23.519   1.330  12.155
  234   2HB   ASP  26           HB2      ASP  26 -21.867   0.792  11.866
  235    H    VAL  27           HN       VAL  27 -22.269   1.359   8.015
  236    HA   VAL  27           HA       VAL  27 -22.569   4.234   8.661
  237    HB   VAL  27           HB       VAL  27 -20.387   3.496   7.827
  238   1HG1  VAL  27          HG11      VAL  27 -21.034   1.442   6.727
  239   2HG1  VAL  27          HG12      VAL  27 -20.216   2.457   5.546
  240   3HG1  VAL  27          HG13      VAL  27 -21.971   2.326   5.527
  241   1HG2  VAL  27          HG21      VAL  27 -21.261   4.661   5.278
  242   2HG2  VAL  27          HG22      VAL  27 -20.128   5.299   6.465
  243   3HG2  VAL  27          HG23      VAL  27 -21.858   5.548   6.677
  244    NH1  ARG  28           NH2      ARG  28 -27.013  -2.197   6.586
  245    NH2  ARG  28           NH1      ARG  28 -24.819  -2.719   6.952
  246    H    ARG  28           HN       ARG  28 -24.948   3.041   8.288
  247    HA   ARG  28           HA       ARG  28 -25.859   4.085   5.647
  248   1HB   ARG  28           HB1      ARG  28 -27.653   2.218   5.925
  249   2HB   ARG  28           HB2      ARG  28 -26.585   1.559   7.157
  250   1HG   ARG  28           HG1      ARG  28 -24.729   1.657   5.396
  251   2HG   ARG  28           HG2      ARG  28 -25.998   1.950   4.217
  252   1HD   ARG  28           HD1      ARG  28 -25.704  -0.415   4.207
  253   2HD   ARG  28           HD2      ARG  28 -27.142  -0.154   5.192
  254    HE   ARG  28           HE       ARG  28 -24.712  -0.184   6.789
  255   1HH1  ARG  28          HH21      ARG  28 -27.699  -1.521   6.317
  256   2HH1  ARG  28          HH22      ARG  28 -27.296  -3.124   6.835
  257   1HH2  ARG  28          HH11      ARG  28 -23.861  -2.434   6.958
  258   2HH2  ARG  28          HH12      ARG  28 -25.064  -3.654   7.208
  259    HA   PRO  29           HA       PRO  29 -27.960   6.253   9.208
  260   1HB   PRO  29           HB1      PRO  29 -27.465   8.460   8.819
  261   2HB   PRO  29           HB2      PRO  29 -28.344   8.443   7.288
  262   1HG   PRO  29           HG1      PRO  29 -25.447   8.235   7.741
  263   2HG   PRO  29           HG2      PRO  29 -26.307   8.492   6.223
  264   1HD   PRO  29           HD1      PRO  29 -26.089   6.301   5.654
  265   2HD   PRO  29           HD2      PRO  29 -25.032   6.085   7.061
  266    OH   TYR  30           OH       TYR  30 -29.163  10.455   2.621
  267    H    TYR  30           HN       TYR  30 -28.908   5.343   6.037
  268    HA   TYR  30           HA       TYR  30 -31.696   6.252   6.461
  269   1HB   TYR  30           HB1      TYR  30 -32.056   5.274   4.171
  270   2HB   TYR  30           HB2      TYR  30 -30.416   4.653   4.184
  271    HD1  TYR  30           HD1      TYR  30 -32.195   7.897   4.800
  272    HD2  TYR  30           HD2      TYR  30 -28.786   5.978   3.131
  273    HE1  TYR  30           HE1      TYR  30 -31.380  10.055   3.969
  274    HE2  TYR  30           HE2      TYR  30 -27.970   8.136   2.313
  275    HH   TYR  30           HH       TYR  30 -28.631  10.292   1.838
  276    H    HIS  31           HN       HIS  31 -32.171   4.951   8.314
  277    HA   HIS  31           HA       HIS  31 -32.265   2.008   7.858
  278   1HB   HIS  31           HB1      HIS  31 -32.804   1.947  10.327
  279   2HB   HIS  31           HB2      HIS  31 -32.732   3.706  10.356
  280    HD1  HIS  31           HD1      HIS  31 -30.597   0.831  10.468
  281    HD2  HIS  31           HD2      HIS  31 -30.097   4.792   9.745
  282    HE1  HIS  31           HE1      HIS  31 -28.208   1.207  10.680
  283    H    CYS  32           HN       CYS  32 -34.162   0.836   7.865
  284    HA   CYS  32           HA       CYS  32 -36.567   2.222   7.110
  285   1HB   CYS  32           HB1      CYS  32 -35.885  -0.625   7.904
  286   2HB   CYS  32           HB2      CYS  32 -36.340  -0.026   6.331
  287    H    THR  33           HN       THR  33 -38.528   2.421   8.272
  288    HA   THR  33           HA       THR  33 -38.107   2.916  11.125
  289    HB   THR  33           HB       THR  33 -40.666   3.101   9.416
  290    HG1  THR  33           HG1      THR  33 -38.415   4.411   9.363
  291   1HG2  THR  33          HG21      THR  33 -39.861   4.002  12.221
  292   2HG2  THR  33          HG22      THR  33 -41.395   3.306  11.710
  293   3HG2  THR  33          HG23      THR  33 -41.003   4.970  11.295
  294    OH   TYR  34           OH       TYR  34 -44.680   2.227   9.468
  295    H    TYR  34           HN       TYR  34 -38.291   0.130   9.739
  296    HA   TYR  34           HA       TYR  34 -39.886  -1.067  11.943
  297   1HB   TYR  34           HB1      TYR  34 -41.010  -2.603  10.347
  298   2HB   TYR  34           HB2      TYR  34 -40.146  -1.870   9.001
  299    HD1  TYR  34           HD2      TYR  34 -40.640   0.510   8.370
  300    HD2  TYR  34           HD1      TYR  34 -42.949  -1.536  11.298
  301    HE1  TYR  34           HE2      TYR  34 -42.411   2.188   8.144
  302    HE2  TYR  34           HE1      TYR  34 -44.722   0.144  11.068
  303    HH   TYR  34           HH       TYR  34 -44.307   3.081   9.696
  304    H    CYS  35           HN       CYS  35 -38.213  -2.171   9.008
  305    HA   CYS  35           HA       CYS  35 -37.090  -4.485  10.286
  306   1HB   CYS  35           HB1      CYS  35 -35.781  -4.707   8.248
  307   2HB   CYS  35           HB2      CYS  35 -35.987  -3.022   7.866
  308    H    ASN  36           HN       ASN  36 -34.607  -4.781   9.959
  309    HA   ASN  36           HA       ASN  36 -33.300  -2.588  11.508
  310   1HB   ASN  36           HB1      ASN  36 -32.470  -5.520  11.168
  311   2HB   ASN  36           HB2      ASN  36 -33.392  -4.913  12.541
  312   1HD2  ASN  36          HD21      ASN  36 -32.273  -2.960  13.697
  313   2HD2  ASN  36          HD22      ASN  36 -30.587  -3.054  13.874
  314    H    PHE  37           HN       PHE  37 -33.714  -3.373   8.481
  315    HA   PHE  37           HA       PHE  37 -30.929  -3.449   7.557
  316   1HB   PHE  37           HB1      PHE  37 -33.224  -2.904   5.694
  317   2HB   PHE  37           HB2      PHE  37 -33.220  -4.465   6.514
  318    HD1  PHE  37           HD2      PHE  37 -31.059  -5.876   6.367
  319    HD2  PHE  37           HD1      PHE  37 -31.821  -2.537   3.840
  320    HE1  PHE  37           HE2      PHE  37 -29.377  -6.695   4.775
  321    HE2  PHE  37           HE1      PHE  37 -30.138  -3.360   2.249
  322    HZ   PHE  37           HZ       PHE  37 -28.915  -5.438   2.717
  323    H    SER  38           HN       SER  38 -30.082  -1.850   6.103
  324    HA   SER  38           HA       SER  38 -31.450   0.752   6.092
  325   1HB   SER  38           HB1      SER  38 -28.614   0.487   7.181
  326   2HB   SER  38           HB2      SER  38 -30.034   0.577   8.230
  327    HG   SER  38           HG1      SER  38 -30.323   2.596   7.692
  328    H    PHE  39           HN       PHE  39 -30.092   2.376   4.872
  329    HA   PHE  39           HA       PHE  39 -28.447   1.026   2.785
  330   1HB   PHE  39           HB1      PHE  39 -29.722   2.127   1.056
  331   2HB   PHE  39           HB2      PHE  39 -30.506   3.192   2.223
  332    HD1  PHE  39           HD2      PHE  39 -32.183   2.254   3.825
  333    HD2  PHE  39           HD1      PHE  39 -30.552  -0.125   0.694
  334    HE1  PHE  39           HE2      PHE  39 -33.940   0.579   4.183
  335    HE2  PHE  39           HE1      PHE  39 -32.326  -1.788   1.042
  336    HZ   PHE  39           HZ       PHE  39 -34.023  -1.435   2.786
  337    H    LYS  40           HN       LYS  40 -27.050   2.459   1.625
  338    HA   LYS  40           HA       LYS  40 -26.011   4.595   3.360
  339   1HB   LYS  40           HB1      LYS  40 -25.094   3.327   0.734
  340   2HB   LYS  40           HB2      LYS  40 -24.423   3.041   2.323
  341   1HG   LYS  40           HG1      LYS  40 -24.276   5.646   0.765
  342   2HG   LYS  40           HG2      LYS  40 -22.949   4.543   1.084
  343   1HD   LYS  40           HD1      LYS  40 -23.586   4.898   3.595
  344   2HD   LYS  40           HD2      LYS  40 -24.390   6.346   3.015
  345   1HE   LYS  40           HE1      LYS  40 -21.488   5.719   3.156
  346   2HE   LYS  40           HE2      LYS  40 -22.308   7.265   3.322
  347   1HZ   LYS  40           HZ1      LYS  40 -22.767   7.007   0.833
  348   2HZ   LYS  40           HZ2      LYS  40 -21.523   5.850   0.862
  349   3HZ   LYS  40           HZ3      LYS  40 -21.203   7.453   1.325
  350    H    THR  41           HN       THR  41 -28.135   4.280   0.761
  351    HA   THR  41           HA       THR  41 -27.898   7.200   0.165
  352    HB   THR  41           HB       THR  41 -28.314   6.728  -2.168
  353    HG1  THR  41           HG1      THR  41 -30.074   5.409  -1.872
  354   1HG2  THR  41          HG21      THR  41 -26.674   5.048  -2.767
  355   2HG2  THR  41          HG22      THR  41 -27.040   4.072  -1.348
  356   3HG2  THR  41          HG23      THR  41 -26.115   5.561  -1.179
  357    H    LYS  42           HN       LYS  42 -29.858   8.246  -0.458
  358    HA   LYS  42           HA       LYS  42 -32.100   7.305   1.128
  359   1HB   LYS  42           HB1      LYS  42 -32.136   9.702  -0.730
  360   2HB   LYS  42           HB2      LYS  42 -31.245   9.769   0.785
  361   1HG   LYS  42           HG1      LYS  42 -33.179   9.571   2.087
  362   2HG   LYS  42           HG2      LYS  42 -34.090   8.797   0.798
  363   1HD   LYS  42           HD1      LYS  42 -34.492  10.822  -0.313
  364   2HD   LYS  42           HD2      LYS  42 -33.112  11.618   0.435
  365   1HE   LYS  42           HE1      LYS  42 -35.516  10.686   2.025
  366   2HE   LYS  42           HE2      LYS  42 -35.406  12.301   1.337
  367   1HZ   LYS  42           HZ1      LYS  42 -33.328  11.171   3.114
  368   2HZ   LYS  42           HZ2      LYS  42 -34.652  12.061   3.695
  369   3HZ   LYS  42           HZ3      LYS  42 -33.533  12.790   2.645
  370    H    GLY  43           HN       GLY  43 -31.045   6.886  -2.027
  371   1HA   GLY  43           HA1      GLY  43 -32.112   6.117  -3.981
  372   2HA   GLY  43           HA2      GLY  43 -33.592   6.875  -3.394
  373    H    ASN  44           HN       ASN  44 -31.521   4.260  -2.167
  374    HA   ASN  44           HA       ASN  44 -33.420   2.197  -2.691
  375   1HB   ASN  44           HB1      ASN  44 -31.949   0.996  -0.863
  376   2HB   ASN  44           HB2      ASN  44 -30.971   2.459  -0.914
  377   1HD2  ASN  44          HD21      ASN  44 -29.232   2.189  -2.289
  378   2HD2  ASN  44          HD22      ASN  44 -29.257   1.323  -3.748
  379    H    LEU  45           HN       LEU  45 -33.191   4.564  -0.237
  380    HA   LEU  45           HA       LEU  45 -34.523   3.148   1.870
  381   1HB   LEU  45           HB1      LEU  45 -34.472   6.148   1.222
  382   2HB   LEU  45           HB2      LEU  45 -33.259   5.311   2.165
  383    HG   LEU  45           HG       LEU  45 -34.706   6.384   3.747
  384   1HD1  LEU  45          HD11      LEU  45 -37.237   5.052   2.896
  385   2HD1  LEU  45          HD12      LEU  45 -36.661   6.346   1.861
  386   3HD1  LEU  45          HD13      LEU  45 -36.975   6.655   3.561
  387   1HD2  LEU  45          HD21      LEU  45 -35.353   4.569   5.108
  388   2HD2  LEU  45          HD22      LEU  45 -34.097   3.888   4.082
  389   3HD2  LEU  45          HD23      LEU  45 -35.788   3.557   3.739
  390    H    THR  46           HN       THR  46 -35.762   5.558  -0.446
  391    HA   THR  46           HA       THR  46 -38.506   5.174   0.274
  392    HB   THR  46           HB       THR  46 -37.463   6.033  -2.488
  393    HG1  THR  46           HG1      THR  46 -37.966   7.725  -0.295
  394   1HG2  THR  46          HG21      THR  46 -39.961   5.941  -2.252
  395   2HG2  THR  46          HG22      THR  46 -39.445   7.625  -2.229
  396   3HG2  THR  46          HG23      THR  46 -39.861   6.810  -0.724
  397    H    LYS  47           HN       LYS  47 -36.382   3.561  -2.003
  398    HA   LYS  47           HA       LYS  47 -38.378   2.164  -3.484
  399   1HB   LYS  47           HB1      LYS  47 -35.583   1.185  -2.717
  400   2HB   LYS  47           HB2      LYS  47 -35.906   2.289  -4.049
  401   1HG   LYS  47           HG1      LYS  47 -37.680   0.026  -4.257
  402   2HG   LYS  47           HG2      LYS  47 -36.027  -0.554  -4.087
  403   1HD   LYS  47           HD1      LYS  47 -35.326   0.982  -5.920
  404   2HD   LYS  47           HD2      LYS  47 -36.998   1.494  -6.108
  405   1HE   LYS  47           HE1      LYS  47 -37.057  -0.203  -7.650
  406   2HE   LYS  47           HE2      LYS  47 -37.317  -1.203  -6.227
  407   1HZ   LYS  47           HZ1      LYS  47 -34.894  -1.513  -6.104
  408   2HZ   LYS  47           HZ2      LYS  47 -34.728  -0.660  -7.564
  409   3HZ   LYS  47           HZ3      LYS  47 -35.572  -2.134  -7.531
  410    H    HIS  48           HN       HIS  48 -36.845   1.469  -0.385
  411    HA   HIS  48           HA       HIS  48 -38.115  -1.166  -0.210
  412   1HB   HIS  48           HB1      HIS  48 -36.568   0.552   1.794
  413   2HB   HIS  48           HB2      HIS  48 -35.978  -0.869   0.939
  414    HD1  HIS  48           HD1      HIS  48 -37.483  -3.071   1.581
  415    HD2  HIS  48           HD2      HIS  48 -37.592  -0.014   4.295
  416    HE1  HIS  48           HE1      HIS  48 -38.303  -4.075   3.655
  417    H    MET  49           HN       MET  49 -38.770   2.089   0.886
  418    HA   MET  49           HA       MET  49 -40.900   1.245   2.703
  419   1HB   MET  49           HB1      MET  49 -41.374   3.751   2.742
  420   2HB   MET  49           HB2      MET  49 -40.099   3.959   1.547
  421   1HG   MET  49           HG1      MET  49 -39.293   4.343   3.850
  422   2HG   MET  49           HG2      MET  49 -38.453   3.042   3.049
  423   1HE   MET  49           HE1      MET  49 -41.070   4.065   5.693
  424   2HE   MET  49           HE2      MET  49 -39.388   4.253   6.189
  425   3HE   MET  49           HE3      MET  49 -40.430   3.103   7.025
  426    H    LYS  50           HN       LYS  50 -40.621   2.228  -0.629
  427    HA   LYS  50           HA       LYS  50 -43.379   2.849  -1.088
  428   1HB   LYS  50           HB1      LYS  50 -41.444   1.602  -3.096
  429   2HB   LYS  50           HB2      LYS  50 -41.353   3.298  -2.633
  430   1HG   LYS  50           HG1      LYS  50 -44.005   2.194  -3.505
  431   2HG   LYS  50           HG2      LYS  50 -42.797   2.545  -4.735
  432   1HD   LYS  50           HD1      LYS  50 -42.834   4.827  -4.316
  433   2HD   LYS  50           HD2      LYS  50 -43.293   4.616  -2.630
  434   1HE   LYS  50           HE1      LYS  50 -45.122   4.047  -4.985
  435   2HE   LYS  50           HE2      LYS  50 -45.153   5.531  -4.043
  436   1HZ   LYS  50           HZ1      LYS  50 -45.361   3.832  -2.078
  437   2HZ   LYS  50           HZ2      LYS  50 -46.002   2.838  -3.297
  438   3HZ   LYS  50           HZ3      LYS  50 -46.723   4.338  -2.958
  439    H    SER  51           HN       SER  51 -41.526  -0.147  -1.572
  440    HA   SER  51           HA       SER  51 -43.469  -1.798  -2.650
  441   1HB   SER  51           HB1      SER  51 -41.062  -2.432  -1.940
  442   2HB   SER  51           HB2      SER  51 -42.275  -3.666  -1.552
  443    HG   SER  51           HG1      SER  51 -40.727  -2.553   0.155
  444    H    LYS  52           HN       LYS  52 -44.907  -3.369  -1.668
  445    HA   LYS  52           HA       LYS  52 -46.625  -2.128   0.300
  446   1HB   LYS  52           HB1      LYS  52 -47.490  -4.730   0.189
  447   2HB   LYS  52           HB2      LYS  52 -46.563  -4.658  -1.304
  448   1HG   LYS  52           HG1      LYS  52 -48.733  -2.678  -0.525
  449   2HG   LYS  52           HG2      LYS  52 -48.956  -4.022  -1.637
  450   1HD   LYS  52           HD1      LYS  52 -47.212  -3.100  -3.123
  451   2HD   LYS  52           HD2      LYS  52 -46.955  -1.765  -2.006
  452   1HE   LYS  52           HE1      LYS  52 -49.000  -0.768  -2.509
  453   2HE   LYS  52           HE2      LYS  52 -49.734  -2.286  -3.012
  454   1HZ   LYS  52           HZ1      LYS  52 -49.064  -1.992  -5.092
  455   2HZ   LYS  52           HZ2      LYS  52 -47.494  -1.538  -4.633
  456   3HZ   LYS  52           HZ3      LYS  52 -48.737  -0.382  -4.661
  457    H    ALA  53           HN       ALA  53 -43.730  -3.227   0.849
  458    HA   ALA  53           HA       ALA  53 -43.675  -5.266   2.702
  459   1HB   ALA  53           HB1      ALA  53 -42.296  -2.541   2.842
  460   2HB   ALA  53           HB2      ALA  53 -41.648  -4.011   2.120
  461   3HB   ALA  53           HB3      ALA  53 -41.855  -3.905   3.865
  462    H    HIS  54           HN       HIS  54 -43.418  -2.133   4.232
  463    HA   HIS  54           HA       HIS  54 -45.924  -2.507   5.694
  464   1HB   HIS  54           HB1      HIS  54 -44.730  -3.798   7.210
  465   2HB   HIS  54           HB2      HIS  54 -44.342  -2.213   7.865
  466    HD1  HIS  54           HD1      HIS  54 -42.776  -5.099   6.434
  467    HD2  HIS  54           HD2      HIS  54 -41.716  -1.175   6.894
  468    HE1  HIS  54           HE1      HIS  54 -40.347  -5.040   6.146
  469    H    SER  55           HN       SER  55 -46.526  -0.511   4.961
  470    HA   SER  55           HA       SER  55 -45.176   1.766   6.326
  471   1HB   SER  55           HB1      SER  55 -45.997   1.653   3.369
  472   2HB   SER  55           HB2      SER  55 -44.344   1.818   3.994
  473    HG   SER  55           HG1      SER  55 -44.721   3.855   4.299
  474    H    LYS  56           HN       LYS  56 -47.592   0.324   6.942
  475    HA   LYS  56           HA       LYS  56 -49.828   1.994   6.059
  476   1HB   LYS  56           HB1      LYS  56 -51.181   0.451   7.261
  477   2HB   LYS  56           HB2      LYS  56 -49.914   0.105   8.432
  478   1HG   LYS  56           HG1      LYS  56 -48.647  -1.148   6.789
  479   2HG   LYS  56           HG2      LYS  56 -49.736  -0.652   5.499
  480   1HD   LYS  56           HD1      LYS  56 -51.592  -1.859   6.577
  481   2HD   LYS  56           HD2      LYS  56 -50.538  -2.318   7.909
  482   1HE   LYS  56           HE1      LYS  56 -49.015  -3.358   6.087
  483   2HE   LYS  56           HE2      LYS  56 -50.412  -3.216   5.028
  484   1HZ   LYS  56           HZ1      LYS  56 -51.666  -4.432   6.830
  485   2HZ   LYS  56           HZ2      LYS  56 -50.153  -4.799   7.507
  486   3HZ   LYS  56           HZ3      LYS  56 -50.536  -5.341   5.944
  487    H    LYS  57           HN       LYS  57 -48.152   3.768   7.060
  488    HA   LYS  57           HA       LYS  57 -48.132   4.269   9.817
  489   1HB   LYS  57           HB1      LYS  57 -48.410   6.368   7.618
  490   2HB   LYS  57           HB2      LYS  57 -46.891   5.568   8.009
  491   1HG   LYS  57           HG1      LYS  57 -47.062   6.405  10.341
  492   2HG   LYS  57           HG2      LYS  57 -48.564   7.224   9.930
  493   1HD   LYS  57           HD1      LYS  57 -47.014   8.216   7.967
  494   2HD   LYS  57           HD2      LYS  57 -45.761   7.908   9.165
  495   1HE   LYS  57           HE1      LYS  57 -48.263   9.583   9.543
  496   2HE   LYS  57           HE2      LYS  57 -46.604  10.165   9.500
  497   1HZ   LYS  57           HZ1      LYS  57 -46.810   9.999  11.712
  498   2HZ   LYS  57           HZ2      LYS  57 -46.431   8.366  11.438
  499   3HZ   LYS  57                 LYS  57 -48.050   8.841  11.635
   
  Start of MODEL          45
 Raw file had 499 H/Q atoms
  Start of MODEL   45
    1   1H    LYS   1           HT1      LYS   1  -8.192   1.327 -10.427
    2   2H    LYS   1           HT2      LYS   1  -7.031   0.257 -11.052
    3   3H    LYS   1           HT3      LYS   1  -7.217   0.421  -9.372
    4    HA   LYS   1           HA       LYS   1  -9.163  -0.741 -11.284
    5   1HB   LYS   1           HB1      LYS   1  -8.796  -2.795  -9.911
    6   2HB   LYS   1           HB2      LYS   1  -7.646  -1.927  -8.900
    7   1HG   LYS   1           HG1      LYS   1  -7.161  -1.853 -11.844
    8   2HG   LYS   1           HG2      LYS   1  -6.884  -3.395 -11.043
    9   1HD   LYS   1           HD1      LYS   1  -5.763  -0.901  -9.794
   10   2HD   LYS   1           HD2      LYS   1  -4.941  -1.596 -11.186
   11   1HE   LYS   1           HE1      LYS   1  -5.729  -3.274  -8.794
   12   2HE   LYS   1           HE2      LYS   1  -4.186  -2.432  -8.872
   13   1HZ   LYS   1           HZ1      LYS   1  -4.486  -3.737 -11.289
   14   2HZ   LYS   1           HZ2      LYS   1  -4.949  -4.856 -10.098
   15   3HZ   LYS   1           HZ3      LYS   1  -3.416  -4.127 -10.029
   16    OH   TYR   2           OH       TYR   2  -8.237   5.890  -8.522
   17    H    TYR   2           HN       TYR   2 -10.820   0.676 -10.656
   18    HA   TYR   2           HA       TYR   2 -11.580   0.681  -7.788
   19   1HB   TYR   2           HB1      TYR   2 -13.262   2.375  -8.541
   20   2HB   TYR   2           HB2      TYR   2 -12.763   2.115 -10.211
   21    HD1  TYR   2           HD2      TYR   2 -11.540   3.257  -6.889
   22    HD2  TYR   2           HD1      TYR   2 -10.823   3.197 -11.081
   23    HE1  TYR   2           HE2      TYR   2  -9.739   4.898  -6.607
   24    HE2  TYR   2           HE1      TYR   2  -9.016   4.828 -10.797
   25    HH   TYR   2           HH       TYR   2  -8.330   6.287  -7.654
   26    H    ILE   3           HN       ILE   3 -11.825  -1.803  -9.000
   27    HA   ILE   3           HA       ILE   3 -14.759  -2.090  -9.465
   28    HB   ILE   3           HB       ILE   3 -12.556  -4.151  -9.917
   29   1HG1  ILE   3          HG11      ILE   3 -13.328  -1.766 -11.482
   30   2HG1  ILE   3          HG12      ILE   3 -13.299  -3.261 -12.410
   31   1HG2  ILE   3          HG21      ILE   3 -14.273  -5.169 -11.392
   32   2HG2  ILE   3          HG22      ILE   3 -15.358  -3.812 -11.110
   33   3HG2  ILE   3          HG23      ILE   3 -14.970  -4.917  -9.796
   34   1HD1  ILE   3           HD1      ILE   3 -11.031  -2.360 -10.606
   35   2HD1  ILE   3           HD2      ILE   3 -11.078  -2.056 -12.339
   36   3HD1  ILE   3           HD3      ILE   3 -11.011  -3.710 -11.737
   37    H    CYS   4           HN       CYS   4 -15.689  -2.337  -7.455
   38    HA   CYS   4           HA       CYS   4 -14.515  -3.431  -5.178
   39   1HB   CYS   4           HB1      CYS   4 -17.386  -3.591  -6.133
   40   2HB   CYS   4           HB2      CYS   4 -16.715  -2.443  -5.009
   41    H    GLU   5           HN       GLU   5 -13.544  -5.276  -4.918
   42    HA   GLU   5           HA       GLU   5 -13.742  -7.500  -6.649
   43   1HB   GLU   5           HB1      GLU   5 -12.599  -8.728  -4.721
   44   2HB   GLU   5           HB2      GLU   5 -12.819  -7.275  -3.751
   45   1HG   GLU   5           HG1      GLU   5 -10.814  -6.621  -4.610
   46   2HG   GLU   5           HG2      GLU   5 -11.716  -6.270  -6.082
   47    H    GLU   6           HN       GLU   6 -15.804  -6.537  -4.066
   48    HA   GLU   6           HA       GLU   6 -16.873  -9.225  -3.691
   49   1HB   GLU   6           HB1      GLU   6 -18.123  -6.668  -2.648
   50   2HB   GLU   6           HB2      GLU   6 -16.671  -7.318  -1.901
   51   1HG   GLU   6           HG1      GLU   6 -17.873  -9.504  -1.593
   52   2HG   GLU   6           HG2      GLU   6 -19.335  -8.745  -2.215
   53    H    CYS   7           HN       CYS   7 -18.497  -6.143  -4.434
   54    HA   CYS   7           HA       CYS   7 -20.684  -7.568  -5.734
   55   1HB   CYS   7           HB1      CYS   7 -21.640  -5.402  -6.066
   56   2HB   CYS   7           HB2      CYS   7 -20.092  -4.614  -6.003
   57    H    GLY   8           HN       GLY   8 -18.177  -5.311  -6.831
   58   1HA   GLY   8           HA1      GLY   8 -18.415  -6.515  -9.558
   59   2HA   GLY   8           HA2      GLY   8 -16.930  -5.833  -8.905
   60    H    ILE   9           HN       ILE   9 -18.882  -3.700  -7.707
   61    HA   ILE   9           HA       ILE   9 -19.986  -2.251  -9.865
   62    HB   ILE   9           HB       ILE   9 -20.273  -1.921  -7.288
   63   1HG1  ILE   9          HG11      ILE   9 -21.330  -0.515  -9.054
   64   2HG1  ILE   9          HG12      ILE   9 -19.912   0.524  -9.055
   65   1HG2  ILE   9          HG21      ILE   9 -18.021   0.098  -7.746
   66   2HG2  ILE   9          HG22      ILE   9 -17.700  -1.495  -7.074
   67   3HG2  ILE   9          HG23      ILE   9 -18.746  -0.382  -6.224
   68   1HD1  ILE   9           HD1      ILE   9 -20.312   1.244  -6.812
   69   2HD1  ILE   9           HD2      ILE   9 -21.469  -0.051  -6.526
   70   3HD1  ILE   9           HD3      ILE   9 -21.888   1.283  -7.595
   71    NH1  ARG  10           NH1      ARG  10 -13.001  -1.487 -15.774
   72    NH2  ARG  10           NH2      ARG  10 -13.398  -0.614 -17.848
   73    H    ARG  10           HN       ARG  10 -19.074  -1.109 -11.450
   74    HA   ARG  10           HA       ARG  10 -16.142  -0.604 -11.281
   75   1HB   ARG  10           HB1      ARG  10 -17.958  -0.312 -13.716
   76   2HB   ARG  10           HB2      ARG  10 -17.249  -1.855 -13.257
   77   1HG   ARG  10           HG1      ARG  10 -14.977  -0.639 -13.282
   78   2HG   ARG  10           HG2      ARG  10 -15.813   0.672 -14.106
   79   1HD   ARG  10           HD1      ARG  10 -16.694  -1.318 -15.644
   80   2HD   ARG  10           HD2      ARG  10 -15.229  -2.109 -15.065
   81    HE   ARG  10           HE       ARG  10 -15.220   0.515 -16.508
   82   1HH1  ARG  10          HH11      ARG  10 -13.305  -1.630 -14.833
   83   2HH1  ARG  10          HH12      ARG  10 -12.122  -1.854 -16.076
   84   1HH2  ARG  10          HH21      ARG  10 -14.000  -0.101 -18.460
   85   2HH2  ARG  10          HH22      ARG  10 -12.524  -0.965 -18.184
   86    H    ABA  11           HN       ABU  11 -15.730   1.318 -10.388
   87    HA   ABA  11           HA       ABU  11 -17.216   3.694 -11.469
   88   1HB   ABA  11           HB1      ABU  11 -16.924   4.742  -9.260
   89   2HB   ABA  11           HB2      ABU  11 -15.998   3.373  -8.683
   90   1HG   ABA  11           HG1      ABU  11 -18.060   1.940  -9.191
   91   2HG   ABA  11           HG2      ABU  11 -18.939   3.447  -9.408
   92   3HG   ABA  11           HG3      ABU  11 -18.227   3.060  -7.846
   93    H    LYS  12           HN       LYS  12 -15.785   4.421 -12.941
   94    HA   LYS  12           HA       LYS  12 -12.969   4.328 -12.733
   95   1HB   LYS  12           HB1      LYS  12 -13.047   6.104 -14.525
   96   2HB   LYS  12           HB2      LYS  12 -14.778   6.254 -14.252
   97   1HG   LYS  12           HG1      LYS  12 -15.140   3.936 -14.892
   98   2HG   LYS  12           HG2      LYS  12 -13.410   3.646 -15.000
   99   1HD   LYS  12           HD1      LYS  12 -14.924   5.661 -16.705
  100   2HD   LYS  12           HD2      LYS  12 -14.492   4.044 -17.241
  101   1HE   LYS  12           HE1      LYS  12 -12.062   4.932 -16.360
  102   2HE   LYS  12           HE2      LYS  12 -12.776   6.444 -16.904
  103   1HZ   LYS  12           HZ1      LYS  12 -11.706   4.348 -18.441
  104   2HZ   LYS  12           HZ2      LYS  12 -12.286   5.858 -18.957
  105   3HZ   LYS  12           HZ3      LYS  12 -13.347   4.536 -18.835
  106    H    LYS  13           HN       LYS  13 -14.750   5.848 -10.537
  107    HA   LYS  13           HA       LYS  13 -12.724   8.002 -10.222
  108   1HB   LYS  13           HB1      LYS  13 -14.655   9.393  -9.231
  109   2HB   LYS  13           HB2      LYS  13 -15.739   8.167  -9.880
  110   1HG   LYS  13           HG1      LYS  13 -14.830   8.561 -12.149
  111   2HG   LYS  13           HG2      LYS  13 -13.740   9.781 -11.502
  112   1HD   LYS  13           HD1      LYS  13 -16.597  10.141 -10.793
  113   2HD   LYS  13           HD2      LYS  13 -16.216  10.347 -12.499
  114   1HE   LYS  13           HE1      LYS  13 -16.009  12.479 -11.212
  115   2HE   LYS  13           HE2      LYS  13 -14.489  11.992 -11.953
  116   1HZ   LYS  13           HZ1      LYS  13 -15.144  11.201  -9.191
  117   2HZ   LYS  13           HZ2      LYS  13 -14.480  12.727  -9.525
  118   3HZ   LYS  13           HZ3      LYS  13 -13.622  11.320  -9.935
  119    HA   PRO  14           HA       PRO  14 -12.207   6.322  -6.134
  120   1HB   PRO  14           HB1      PRO  14 -10.457   7.665  -5.461
  121   2HB   PRO  14           HB2      PRO  14 -11.634   8.822  -4.837
  122   1HG   PRO  14           HG1      PRO  14  -9.888   9.239  -7.038
  123   2HG   PRO  14           HG2      PRO  14 -11.255  10.260  -6.591
  124   1HD   PRO  14           HD1      PRO  14 -12.262   9.613  -8.547
  125   2HD   PRO  14           HD2      PRO  14 -11.009   8.388  -8.825
  126    H    SER  15           HN       SER  15 -13.421   9.632  -5.613
  127    HA   SER  15           HA       SER  15 -14.956   9.386  -3.399
  128   1HB   SER  15           HB1      SER  15 -14.936  11.466  -4.768
  129   2HB   SER  15           HB2      SER  15 -16.625  10.987  -4.503
  130    HG   SER  15           HG1      SER  15 -15.325   9.770  -6.623
  131    H    MET  16           HN       MET  16 -15.999   8.247  -6.587
  132    HA   MET  16           HA       MET  16 -18.557   7.313  -5.650
  133   1HB   MET  16           HB1      MET  16 -18.352   5.883  -7.826
  134   2HB   MET  16           HB2      MET  16 -16.825   6.724  -8.076
  135   1HG   MET  16           HG1      MET  16 -18.569   7.916  -9.245
  136   2HG   MET  16           HG2      MET  16 -17.995   8.885  -7.914
  137   1HE   MET  16           HE1      MET  16 -20.897   7.540  -9.811
  138   2HE   MET  16           HE2      MET  16 -20.501   9.258  -9.767
  139   3HE   MET  16           HE3      MET  16 -22.048   8.693  -9.137
  140    H    LEU  17           HN       LEU  17 -15.487   5.599  -6.355
  141    HA   LEU  17           HA       LEU  17 -16.510   3.093  -5.355
  142   1HB   LEU  17           HB1      LEU  17 -13.566   3.850  -5.453
  143   2HB   LEU  17           HB2      LEU  17 -14.454   3.565  -6.935
  144    HG   LEU  17           HG       LEU  17 -13.206   1.531  -6.079
  145   1HD1  LEU  17          HD11      LEU  17 -13.900   0.384  -4.115
  146   2HD1  LEU  17          HD12      LEU  17 -15.317   1.399  -3.918
  147   3HD1  LEU  17          HD13      LEU  17 -13.713   2.064  -3.637
  148   1HD2  LEU  17          HD21      LEU  17 -16.156   0.904  -5.978
  149   2HD2  LEU  17          HD22      LEU  17 -14.853   0.003  -6.737
  150   3HD2  LEU  17          HD23      LEU  17 -15.427   1.494  -7.461
  151    H    LYS  18           HN       LYS  18 -14.035   5.315  -4.068
  152    HA   LYS  18           HA       LYS  18 -13.503   4.322  -1.601
  153   1HB   LYS  18           HB1      LYS  18 -14.049   7.168  -2.500
  154   2HB   LYS  18           HB2      LYS  18 -12.517   6.426  -2.063
  155   1HG   LYS  18           HG1      LYS  18 -13.585   6.191   0.323
  156   2HG   LYS  18           HG2      LYS  18 -14.745   7.383  -0.241
  157   1HD   LYS  18           HD1      LYS  18 -11.820   7.987  -0.613
  158   2HD   LYS  18           HD2      LYS  18 -12.506   8.133   0.996
  159   1HE   LYS  18           HE1      LYS  18 -14.021   9.349  -1.274
  160   2HE   LYS  18           HE2      LYS  18 -12.571  10.172  -0.722
  161   1HZ   LYS  18           HZ1      LYS  18 -13.874  11.055   0.818
  162   2HZ   LYS  18           HZ2      LYS  18 -13.863   9.536   1.576
  163   3HZ   LYS  18           HZ3      LYS  18 -15.133   9.953   0.529
  164    H    LYS  19           HN       LYS  19 -16.484   6.030  -2.443
  165    HA   LYS  19           HA       LYS  19 -17.537   5.825   0.232
  166   1HB   LYS  19           HB1      LYS  19 -19.742   6.377  -1.090
  167   2HB   LYS  19           HB2      LYS  19 -18.686   6.539  -2.489
  168   1HG   LYS  19           HG1      LYS  19 -17.380   8.266  -1.365
  169   2HG   LYS  19           HG2      LYS  19 -18.292   8.039   0.122
  170   1HD   LYS  19           HD1      LYS  19 -20.352   8.776  -0.995
  171   2HD   LYS  19           HD2      LYS  19 -19.491   8.934  -2.521
  172   1HE   LYS  19           HE1      LYS  19 -18.003  10.388  -0.579
  173   2HE   LYS  19           HE2      LYS  19 -19.689  10.841  -0.371
  174   1HZ   LYS  19           HZ1      LYS  19 -19.676  11.076  -2.906
  175   2HZ   LYS  19           HZ2      LYS  19 -17.985  11.117  -2.757
  176   3HZ   LYS  19           HZ3      LYS  19 -18.935  12.289  -1.978
  177    H    HIS  20           HN       HIS  20 -17.999   4.084  -2.806
  178    HA   HIS  20           HA       HIS  20 -20.044   2.321  -1.965
  179   1HB   HIS  20           HB1      HIS  20 -17.714   1.849  -3.870
  180   2HB   HIS  20           HB2      HIS  20 -19.301   2.461  -4.329
  181    HD1  HIS  20           HD1      HIS  20 -20.875   0.613  -4.934
  182    HD2  HIS  20           HD2      HIS  20 -17.780  -0.815  -2.723
  183    HE1  HIS  20           HE1      HIS  20 -21.190  -1.817  -4.867
  184    H    ILE  21           HN       ILE  21 -16.519   1.774  -2.024
  185    HA   ILE  21           HA       ILE  21 -16.599  -0.747  -0.745
  186    HB   ILE  21           HB       ILE  21 -14.563   0.195  -1.837
  187   1HG1  ILE  21          HG11      ILE  21 -14.482  -0.865   0.957
  188   2HG1  ILE  21          HG12      ILE  21 -12.992  -0.197   0.315
  189   1HG2  ILE  21          HG21      ILE  21 -13.245   1.922  -0.640
  190   2HG2  ILE  21          HG22      ILE  21 -14.447   1.978   0.642
  191   3HG2  ILE  21          HG23      ILE  21 -14.860   2.516  -0.977
  192   1HD1  ILE  21           HD1      ILE  21 -13.010  -1.701  -1.545
  193   2HD1  ILE  21           HD2      ILE  21 -14.673  -2.183  -1.229
  194   3HD1  ILE  21           HD3      ILE  21 -13.388  -2.683  -0.134
  195    NH1  ARG  22           NH1      ARG  22 -14.273   8.003   2.972
  196    NH2  ARG  22           NH2      ARG  22 -12.374   7.395   4.089
  197    H    ARG  22           HN       ARG  22 -16.704   2.510   0.587
  198    HA   ARG  22           HA       ARG  22 -16.380   1.624   3.343
  199   1HB   ARG  22           HB1      ARG  22 -17.498   3.984   3.730
  200   2HB   ARG  22           HB2      ARG  22 -17.351   4.167   1.985
  201   1HG   ARG  22           HG1      ARG  22 -14.914   3.689   2.163
  202   2HG   ARG  22           HG2      ARG  22 -15.076   3.565   3.907
  203   1HD   ARG  22           HD1      ARG  22 -16.072   5.935   3.829
  204   2HD   ARG  22           HD2      ARG  22 -15.480   6.013   2.171
  205    HE   ARG  22           HE       ARG  22 -13.404   5.175   4.021
  206   1HH1  ARG  22          HH11      ARG  22 -15.157   7.745   2.582
  207   2HH1  ARG  22          HH12      ARG  22 -13.955   8.949   2.906
  208   1HH2  ARG  22          HH21      ARG  22 -11.835   6.682   4.535
  209   2HH2  ARG  22          HH22      ARG  22 -12.024   8.331   4.041
  210    H    THR  23           HN       THR  23 -18.987   1.549   1.123
  211    HA   THR  23           HA       THR  23 -21.089   1.738   3.104
  212    HB   THR  23           HB       THR  23 -21.180   0.397   0.329
  213    HG1  THR  23           HG1      THR  23 -20.408   2.643   0.586
  214   1HG2  THR  23          HG21      THR  23 -23.348  -0.008   1.252
  215   2HG2  THR  23          HG22      THR  23 -23.581   1.636   0.675
  216   3HG2  THR  23          HG23      THR  23 -23.228   1.341   2.374
  217    H    HIS  24           HN       HIS  24 -19.016  -0.836   2.006
  218    HA   HIS  24           HA       HIS  24 -20.730  -3.003   2.890
  219   1HB   HIS  24           HB1      HIS  24 -18.400  -4.226   2.983
  220   2HB   HIS  24           HB2      HIS  24 -17.749  -2.730   2.322
  221    HD1  HIS  24           HD1      HIS  24 -20.280  -5.332   1.392
  222    HD2  HIS  24           HD2      HIS  24 -18.072  -2.413  -0.392
  223    HE1  HIS  24           HE1      HIS  24 -20.624  -5.624  -1.037
  224    H    THR  25           HN       THR  25 -19.635  -0.564   4.648
  225    HA   THR  25           HA       THR  25 -18.698  -2.172   6.955
  226    HB   THR  25           HB       THR  25 -18.230   0.140   7.901
  227    HG1  THR  25           HG1      THR  25 -18.701   1.818   6.316
  228   1HG2  THR  25          HG21      THR  25 -16.686   0.980   6.102
  229   2HG2  THR  25          HG22      THR  25 -17.449  -0.112   4.952
  230   3HG2  THR  25          HG23      THR  25 -16.502  -0.760   6.288
  231    H    ASP  26           HN       ASP  26 -20.096   0.643   7.922
  232    HA   ASP  26           HA       ASP  26 -22.812  -0.429   8.274
  233   1HB   ASP  26           HB1      ASP  26 -22.563   0.179  10.812
  234   2HB   ASP  26           HB2      ASP  26 -20.825   0.117  10.524
  235    H    VAL  27           HN       VAL  27 -21.520   1.687   6.867
  236    HA   VAL  27           HA       VAL  27 -22.331   4.124   8.327
  237    HB   VAL  27           HB       VAL  27 -20.190   4.133   7.109
  238   1HG1  VAL  27          HG11      VAL  27 -20.078   3.802   4.693
  239   2HG1  VAL  27          HG12      VAL  27 -21.823   3.599   4.609
  240   3HG1  VAL  27          HG13      VAL  27 -20.840   2.404   5.430
  241   1HG2  VAL  27          HG21      VAL  27 -21.605   5.838   5.198
  242   2HG2  VAL  27          HG22      VAL  27 -20.487   6.291   6.478
  243   3HG2  VAL  27          HG23      VAL  27 -22.193   6.059   6.842
  244    NH1  ARG  28           NH2      ARG  28 -24.839  -2.850   4.259
  245    NH2  ARG  28           NH1      ARG  28 -25.673  -2.867   6.387
  246    H    ARG  28           HN       ARG  28 -24.503   2.576   7.807
  247    HA   ARG  28           HA       ARG  28 -25.872   3.947   5.526
  248   1HB   ARG  28           HB1      ARG  28 -27.515   1.986   5.808
  249   2HB   ARG  28           HB2      ARG  28 -26.335   1.269   6.898
  250   1HG   ARG  28           HG1      ARG  28 -24.639   1.486   5.032
  251   2HG   ARG  28           HG2      ARG  28 -25.963   1.954   3.973
  252   1HD   ARG  28           HD1      ARG  28 -26.004  -0.330   3.599
  253   2HD   ARG  28           HD2      ARG  28 -27.055  -0.271   5.013
  254    HE   ARG  28           HE       ARG  28 -24.378  -0.517   5.935
  255   1HH1  ARG  28          HH21      ARG  28 -24.484  -2.329   3.484
  256   2HH1  ARG  28          HH22      ARG  28 -24.918  -3.845   4.200
  257   1HH2  ARG  28          HH11      ARG  28 -25.943  -2.359   7.205
  258   2HH2  ARG  28          HH12      ARG  28 -25.766  -3.863   6.362
  259    HA   PRO  29           HA       PRO  29 -27.793   5.625   9.389
  260   1HB   PRO  29           HB1      PRO  29 -27.359   7.870   9.165
  261   2HB   PRO  29           HB2      PRO  29 -28.570   7.981   7.888
  262   1HG   PRO  29           HG1      PRO  29 -25.677   8.045   7.616
  263   2HG   PRO  29           HG2      PRO  29 -26.889   8.232   6.347
  264   1HD   PRO  29           HD1      PRO  29 -26.493   6.119   5.599
  265   2HD   PRO  29           HD2      PRO  29 -25.181   5.978   6.781
  266    OH   TYR  30           OH       TYR  30 -29.616  10.595   2.764
  267    H    TYR  30           HN       TYR  30 -29.082   6.044   6.089
  268    HA   TYR  30           HA       TYR  30 -31.793   6.362   6.703
  269   1HB   TYR  30           HB1      TYR  30 -32.201   5.283   4.450
  270   2HB   TYR  30           HB2      TYR  30 -30.523   4.753   4.429
  271    HD1  TYR  30           HD1      TYR  30 -32.498   7.898   4.977
  272    HD2  TYR  30           HD2      TYR  30 -28.972   6.155   3.360
  273    HE1  TYR  30           HE1      TYR  30 -31.813  10.084   4.110
  274    HE2  TYR  30           HE2      TYR  30 -28.285   8.344   2.501
  275    HH   TYR  30           HH       TYR  30 -29.025  10.450   2.021
  276    H    HIS  31           HN       HIS  31 -32.321   5.133   8.539
  277    HA   HIS  31           HA       HIS  31 -32.292   2.167   8.262
  278   1HB   HIS  31           HB1      HIS  31 -33.248   2.474  10.727
  279   2HB   HIS  31           HB2      HIS  31 -32.685   4.131  10.546
  280    HD1  HIS  31           HD1      HIS  31 -31.287   0.706  10.335
  281    HD2  HIS  31           HD2      HIS  31 -30.006   4.495  11.011
  282    HE1  HIS  31           HE1      HIS  31 -28.951   0.473  10.960
  283    H    CYS  32           HN       CYS  32 -34.151   0.953   8.085
  284    HA   CYS  32           HA       CYS  32 -36.548   2.235   7.177
  285   1HB   CYS  32           HB1      CYS  32 -35.814  -0.563   8.072
  286   2HB   CYS  32           HB2      CYS  32 -36.250  -0.016   6.475
  287    H    THR  33           HN       THR  33 -38.666   2.122   8.216
  288    HA   THR  33           HA       THR  33 -38.425   2.852  11.064
  289    HB   THR  33           HB       THR  33 -40.809   2.863   9.113
  290    HG1  THR  33           HG1      THR  33 -39.694   5.107  10.302
  291   1HG2  THR  33          HG21      THR  33 -41.917   2.938  11.222
  292   2HG2  THR  33          HG22      THR  33 -41.458   4.631  11.071
  293   3HG2  THR  33          HG23      THR  33 -40.486   3.541  12.053
  294    OH   TYR  34           OH       TYR  34 -45.052   1.555   9.685
  295    H    TYR  34           HN       TYR  34 -38.294   0.029   9.839
  296    HA   TYR  34           HA       TYR  34 -39.929  -1.208  11.972
  297   1HB   TYR  34           HB1      TYR  34 -40.861  -2.872  10.329
  298   2HB   TYR  34           HB2      TYR  34 -40.093  -1.986   9.016
  299    HD1  TYR  34           HD2      TYR  34 -40.838   0.372   8.525
  300    HD2  TYR  34           HD1      TYR  34 -42.912  -2.091  11.305
  301    HE1  TYR  34           HE2      TYR  34 -42.789   1.851   8.382
  302    HE2  TYR  34           HE1      TYR  34 -44.860  -0.609  11.160
  303    HH   TYR  34           HH       TYR  34 -44.774   2.373   9.267
  304    H    CYS  35           HN       CYS  35 -38.076  -2.192   9.109
  305    HA   CYS  35           HA       CYS  35 -36.856  -4.425  10.486
  306   1HB   CYS  35           HB1      CYS  35 -35.636  -4.741   8.435
  307   2HB   CYS  35           HB2      CYS  35 -35.812  -3.070   7.985
  308    H    ASN  36           HN       ASN  36 -34.460  -4.676  10.506
  309    HA   ASN  36           HA       ASN  36 -33.275  -2.254  11.753
  310   1HB   ASN  36           HB1      ASN  36 -31.964  -4.992  11.661
  311   2HB   ASN  36           HB2      ASN  36 -33.313  -4.722  12.763
  312   1HD2  ASN  36          HD21      ASN  36 -30.085  -4.834  12.878
  313   2HD2  ASN  36          HD22      ASN  36 -29.753  -3.608  14.004
  314    H    PHE  37           HN       PHE  37 -33.580  -3.245   8.792
  315    HA   PHE  37           HA       PHE  37 -30.771  -3.272   7.928
  316   1HB   PHE  37           HB1      PHE  37 -33.117  -2.937   6.047
  317   2HB   PHE  37           HB2      PHE  37 -32.918  -4.480   6.876
  318    HD1  PHE  37           HD2      PHE  37 -30.647  -5.668   6.667
  319    HD2  PHE  37           HD1      PHE  37 -31.767  -2.401   4.175
  320    HE1  PHE  37           HE2      PHE  37 -28.914  -6.306   5.047
  321    HE2  PHE  37           HE1      PHE  37 -30.031  -3.043   2.559
  322    HZ   PHE  37           HZ       PHE  37 -28.605  -4.994   2.994
  323    H    SER  38           HN       SER  38 -29.943  -1.713   6.401
  324    HA   SER  38           HA       SER  38 -31.398   0.859   6.316
  325   1HB   SER  38           HB1      SER  38 -28.524   0.606   7.340
  326   2HB   SER  38           HB2      SER  38 -29.936   0.914   8.364
  327    HG   SER  38           HG1      SER  38 -29.542   2.921   7.810
  328    H    PHE  39           HN       PHE  39 -30.101   2.479   5.013
  329    HA   PHE  39           HA       PHE  39 -28.561   1.118   2.857
  330   1HB   PHE  39           HB1      PHE  39 -29.951   2.162   1.189
  331   2HB   PHE  39           HB2      PHE  39 -30.660   3.262   2.371
  332    HD1  PHE  39           HD2      PHE  39 -32.211   2.361   4.129
  333    HD2  PHE  39           HD1      PHE  39 -30.812  -0.087   0.932
  334    HE1  PHE  39           HE2      PHE  39 -33.942   0.695   4.640
  335    HE2  PHE  39           HE1      PHE  39 -32.559  -1.738   1.438
  336    HZ   PHE  39           HZ       PHE  39 -34.122  -1.348   3.294
  337    H    LYS  40           HN       LYS  40 -27.258   2.574   1.596
  338    HA   LYS  40           HA       LYS  40 -26.124   4.708   3.267
  339   1HB   LYS  40           HB1      LYS  40 -25.389   3.528   0.546
  340   2HB   LYS  40           HB2      LYS  40 -24.616   3.183   2.078
  341   1HG   LYS  40           HG1      LYS  40 -24.579   5.853   0.628
  342   2HG   LYS  40           HG2      LYS  40 -23.227   4.749   0.814
  343   1HD   LYS  40           HD1      LYS  40 -23.704   4.980   3.370
  344   2HD   LYS  40           HD2      LYS  40 -24.565   6.441   2.913
  345   1HE   LYS  40           HE1      LYS  40 -21.645   5.782   2.473
  346   2HE   LYS  40           HE2      LYS  40 -22.323   7.140   3.358
  347   1HZ   LYS  40           HZ1      LYS  40 -22.446   8.327   1.515
  348   2HZ   LYS  40           HZ2      LYS  40 -23.254   7.091   0.676
  349   3HZ   LYS  40           HZ3      LYS  40 -21.557   7.112   0.729
  350    H    THR  41           HN       THR  41 -28.381   4.430   0.727
  351    HA   THR  41           HA       THR  41 -28.290   7.396   0.360
  352    HB   THR  41           HB       THR  41 -28.592   7.134  -2.031
  353    HG1  THR  41           HG1      THR  41 -29.074   4.402  -1.387
  354   1HG2  THR  41          HG21      THR  41 -26.301   6.160  -1.076
  355   2HG2  THR  41          HG22      THR  41 -26.754   5.698  -2.715
  356   3HG2  THR  41          HG23      THR  41 -27.028   4.585  -1.378
  357    H    LYS  42           HN       LYS  42 -30.267   8.369  -0.227
  358    HA   LYS  42           HA       LYS  42 -32.502   7.266   1.190
  359   1HB   LYS  42           HB1      LYS  42 -32.545   9.555  -0.818
  360   2HB   LYS  42           HB2      LYS  42 -31.937   9.756   0.818
  361   1HG   LYS  42           HG1      LYS  42 -34.564   8.421   0.680
  362   2HG   LYS  42           HG2      LYS  42 -34.576  10.071   0.072
  363   1HD   LYS  42           HD1      LYS  42 -33.489  10.837   2.175
  364   2HD   LYS  42           HD2      LYS  42 -33.522   9.184   2.781
  365   1HE   LYS  42           HE1      LYS  42 -35.460  10.269   3.694
  366   2HE   LYS  42           HE2      LYS  42 -36.047   9.232   2.401
  367   1HZ   LYS  42           HZ1      LYS  42 -35.326  11.993   1.754
  368   2HZ   LYS  42           HZ2      LYS  42 -36.785  11.710   2.576
  369   3HZ   LYS  42           HZ3      LYS  42 -36.510  10.990   1.063
  370    H    GLY  43           HN       GLY  43 -31.360   7.089  -2.043
  371   1HA   GLY  43           HA1      GLY  43 -32.209   5.929  -3.902
  372   2HA   GLY  43           HA2      GLY  43 -33.760   6.653  -3.480
  373    H    ASN  44           HN       ASN  44 -31.587   3.996  -2.578
  374    HA   ASN  44           HA       ASN  44 -33.373   1.904  -2.836
  375   1HB   ASN  44           HB1      ASN  44 -32.002   0.891  -0.824
  376   2HB   ASN  44           HB2      ASN  44 -31.088   2.394  -0.895
  377   1HD2  ASN  44          HD21      ASN  44 -31.918   2.193  -3.990
  378   2HD2  ASN  44          HD22      ASN  44 -30.678   1.213  -4.611
  379    H    LEU  45           HN       LEU  45 -32.872   3.877   0.076
  380    HA   LEU  45           HA       LEU  45 -34.662   2.573   1.784
  381   1HB   LEU  45           HB1      LEU  45 -34.079   5.566   1.468
  382   2HB   LEU  45           HB2      LEU  45 -33.225   4.454   2.515
  383    HG   LEU  45           HG       LEU  45 -34.705   5.615   3.969
  384   1HD1  LEU  45          HD11      LEU  45 -36.251   6.152   1.742
  385   2HD1  LEU  45          HD12      LEU  45 -36.722   6.509   3.396
  386   3HD1  LEU  45          HD13      LEU  45 -37.277   5.033   2.623
  387   1HD2  LEU  45          HD21      LEU  45 -34.720   3.060   4.100
  388   2HD2  LEU  45          HD22      LEU  45 -36.290   3.114   3.312
  389   3HD2  LEU  45          HD23      LEU  45 -36.066   3.882   4.879
  390    H    THR  46           HN       THR  46 -35.358   5.218  -0.487
  391    HA   THR  46           HA       THR  46 -38.135   5.415   0.024
  392    HB   THR  46           HB       THR  46 -36.672   5.785  -2.663
  393    HG1  THR  46           HG1      THR  46 -36.301   6.892  -0.353
  394   1HG2  THR  46          HG21      THR  46 -39.289   6.849  -1.459
  395   2HG2  THR  46          HG22      THR  46 -39.110   5.992  -2.987
  396   3HG2  THR  46          HG23      THR  46 -38.495   7.633  -2.821
  397    H    LYS  47           HN       LYS  47 -36.321   3.181  -1.989
  398    HA   LYS  47           HA       LYS  47 -38.672   2.057  -3.265
  399   1HB   LYS  47           HB1      LYS  47 -35.965   0.705  -2.864
  400   2HB   LYS  47           HB2      LYS  47 -36.229   1.940  -4.090
  401   1HG   LYS  47           HG1      LYS  47 -37.820   0.599  -5.252
  402   2HG   LYS  47           HG2      LYS  47 -38.014  -0.493  -3.888
  403   1HD   LYS  47           HD1      LYS  47 -36.620  -1.570  -5.588
  404   2HD   LYS  47           HD2      LYS  47 -35.642  -1.223  -4.167
  405   1HE   LYS  47           HE1      LYS  47 -34.604  -0.598  -6.427
  406   2HE   LYS  47           HE2      LYS  47 -34.619   0.672  -5.211
  407   1HZ   LYS  47           HZ1      LYS  47 -35.492   1.015  -7.680
  408   2HZ   LYS  47           HZ2      LYS  47 -36.110   1.880  -6.355
  409   3HZ   LYS  47           HZ3      LYS  47 -36.944   0.524  -6.947
  410    H    HIS  48           HN       HIS  48 -36.639   1.090  -0.517
  411    HA   HIS  48           HA       HIS  48 -38.002  -1.373  -0.004
  412   1HB   HIS  48           HB1      HIS  48 -36.503   0.523   1.875
  413   2HB   HIS  48           HB2      HIS  48 -35.819  -0.865   1.034
  414    HD1  HIS  48           HD1      HIS  48 -36.821  -3.186   1.855
  415    HD2  HIS  48           HD2      HIS  48 -37.756  -0.047   4.301
  416    HE1  HIS  48           HE1      HIS  48 -37.580  -4.198   3.949
  417    H    MET  49           HN       MET  49 -38.856   1.908   0.583
  418    HA   MET  49           HA       MET  49 -40.945   1.115   2.541
  419   1HB   MET  49           HB1      MET  49 -41.330   3.689   2.510
  420   2HB   MET  49           HB2      MET  49 -39.877   3.782   1.521
  421   1HG   MET  49           HG1      MET  49 -39.294   4.102   3.856
  422   2HG   MET  49           HG2      MET  49 -38.605   2.615   3.262
  423   1HE   MET  49           HE1      MET  49 -40.094   4.326   6.064
  424   2HE   MET  49           HE2      MET  49 -41.394   3.329   6.716
  425   3HE   MET  49           HE3      MET  49 -41.607   4.159   5.174
  426    H    LYS  50           HN       LYS  50 -40.601   2.583  -0.662
  427    HA   LYS  50           HA       LYS  50 -43.308   3.164  -1.174
  428   1HB   LYS  50           HB1      LYS  50 -41.308   2.001  -3.172
  429   2HB   LYS  50           HB2      LYS  50 -41.306   3.686  -2.667
  430   1HG   LYS  50           HG1      LYS  50 -43.596   3.972  -3.517
  431   2HG   LYS  50           HG2      LYS  50 -43.669   2.270  -3.951
  432   1HD   LYS  50           HD1      LYS  50 -43.129   3.613  -5.938
  433   2HD   LYS  50           HD2      LYS  50 -41.760   2.594  -5.511
  434   1HE   LYS  50           HE1      LYS  50 -40.480   4.383  -4.776
  435   2HE   LYS  50           HE2      LYS  50 -41.883   5.337  -4.312
  436   1HZ   LYS  50           HZ1      LYS  50 -41.987   6.272  -6.306
  437   2HZ   LYS  50           HZ2      LYS  50 -41.770   4.799  -7.124
  438   3HZ   LYS  50           HZ3      LYS  50 -40.422   5.667  -6.564
  439    H    SER  51           HN       SER  51 -41.547   0.124  -1.688
  440    HA   SER  51           HA       SER  51 -43.562  -1.378  -2.916
  441   1HB   SER  51           HB1      SER  51 -41.862  -2.548  -0.671
  442   2HB   SER  51           HB2      SER  51 -41.124  -2.072  -2.213
  443    HG   SER  51           HG1      SER  51 -43.479  -3.354  -2.581
  444    H    LYS  52           HN       LYS  52 -44.963  -3.049  -1.960
  445    HA   LYS  52           HA       LYS  52 -46.616  -1.868   0.121
  446   1HB   LYS  52           HB1      LYS  52 -46.726  -4.648  -1.155
  447   2HB   LYS  52           HB2      LYS  52 -47.537  -3.224  -1.795
  448   1HG   LYS  52           HG1      LYS  52 -48.330  -3.269   0.874
  449   2HG   LYS  52           HG2      LYS  52 -48.327  -4.969   0.421
  450   1HD   LYS  52           HD1      LYS  52 -49.690  -4.401  -1.595
  451   2HD   LYS  52           HD2      LYS  52 -49.747  -2.726  -1.057
  452   1HE   LYS  52           HE1      LYS  52 -51.327  -5.004  -0.151
  453   2HE   LYS  52           HE2      LYS  52 -51.587  -3.288   0.137
  454   1HZ   LYS  52           HZ1      LYS  52 -51.231  -4.419   2.203
  455   2HZ   LYS  52           HZ2      LYS  52 -49.912  -3.392   1.899
  456   3HZ   LYS  52           HZ3      LYS  52 -49.760  -5.066   1.652
  457    H    ALA  53           HN       ALA  53 -43.835  -2.709   0.787
  458    HA   ALA  53           HA       ALA  53 -43.803  -5.057   2.371
  459   1HB   ALA  53           HB1      ALA  53 -42.319  -2.404   2.702
  460   2HB   ALA  53           HB2      ALA  53 -41.736  -3.830   1.850
  461   3HB   ALA  53           HB3      ALA  53 -41.916  -3.863   3.601
  462    H    HIS  54           HN       HIS  54 -43.194  -2.283   4.303
  463    HA   HIS  54           HA       HIS  54 -45.782  -2.587   5.719
  464   1HB   HIS  54           HB1      HIS  54 -44.553  -4.017   7.107
  465   2HB   HIS  54           HB2      HIS  54 -44.195  -2.479   7.879
  466    HD1  HIS  54           HD1      HIS  54 -42.554  -5.239   6.323
  467    HD2  HIS  54           HD2      HIS  54 -41.589  -1.313   6.950
  468    HE1  HIS  54           HE1      HIS  54 -40.117  -5.121   6.113
  469    H    SER  55           HN       SER  55 -46.202  -0.506   4.891
  470    HA   SER  55           HA       SER  55 -45.201   1.609   6.660
  471   1HB   SER  55           HB1      SER  55 -44.967   2.142   3.675
  472   2HB   SER  55           HB2      SER  55 -43.634   1.337   4.525
  473    HG   SER  55           HG1      SER  55 -43.471   3.039   5.900
  474    H    LYS  56           HN       LYS  56 -47.741   0.322   6.059
  475    HA   LYS  56           HA       LYS  56 -49.385   1.974   4.405
  476   1HB   LYS  56           HB1      LYS  56 -51.258   0.985   5.860
  477   2HB   LYS  56           HB2      LYS  56 -50.003   0.219   6.825
  478   1HG   LYS  56           HG1      LYS  56 -49.155  -0.939   4.812
  479   2HG   LYS  56           HG2      LYS  56 -50.399  -0.164   3.838
  480   1HD   LYS  56           HD1      LYS  56 -51.916  -1.721   4.450
  481   2HD   LYS  56           HD2      LYS  56 -51.604  -1.410   6.154
  482   1HE   LYS  56           HE1      LYS  56 -49.702  -2.935   6.134
  483   2HE   LYS  56           HE2      LYS  56 -49.853  -3.158   4.395
  484   1HZ   LYS  56           HZ1      LYS  56 -52.316  -3.714   5.644
  485   2HZ   LYS  56           HZ2      LYS  56 -51.087  -4.610   6.400
  486   3HZ   LYS  56           HZ3      LYS  56 -51.328  -4.744   4.725
  487    H    LYS  57           HN       LYS  57 -50.114   1.787   7.829
  488    HA   LYS  57           HA       LYS  57 -51.122   4.401   8.003
  489   1HB   LYS  57           HB1      LYS  57 -50.977   4.101  10.446
  490   2HB   LYS  57           HB2      LYS  57 -49.749   2.858  10.255
  491   1HG   LYS  57           HG1      LYS  57 -51.880   1.758  10.668
  492   2HG   LYS  57           HG2      LYS  57 -51.424   1.460   9.000
  493   1HD   LYS  57           HD1      LYS  57 -52.986   3.928   9.303
  494   2HD   LYS  57           HD2      LYS  57 -53.858   2.506   9.853
  495   1HE   LYS  57           HE1      LYS  57 -52.425   2.637   7.185
  496   2HE   LYS  57           HE2      LYS  57 -54.128   3.027   7.382
  497   1HZ   LYS  57           HZ1      LYS  57 -53.975   0.775   6.732
  498   2HZ   LYS  57           HZ2      LYS  57 -54.403   0.781   8.376
  499   3HZ   LYS  57                 LYS  57 -52.805   0.432   7.915
   
  Start of MODEL          46
 Raw file had 499 H/Q atoms
  Start of MODEL   46
    1   1H    LYS   1           HT1      LYS   1 -12.609  -5.819 -10.978
    2   2H    LYS   1           HT2      LYS   1 -11.319  -5.552  -9.906
    3   3H    LYS   1           HT3      LYS   1 -11.025  -5.676 -11.573
    4    HA   LYS   1           HA       LYS   1 -10.915  -3.386 -10.855
    5   1HB   LYS   1           HB1      LYS   1 -12.509  -2.480 -12.506
    6   2HB   LYS   1           HB2      LYS   1 -13.453  -3.964 -12.463
    7   1HG   LYS   1           HG1      LYS   1 -10.542  -4.243 -13.071
    8   2HG   LYS   1           HG2      LYS   1 -11.539  -3.512 -14.323
    9   1HD   LYS   1           HD1      LYS   1 -12.520  -6.024 -12.998
   10   2HD   LYS   1           HD2      LYS   1 -11.247  -6.151 -14.204
   11   1HE   LYS   1           HE1      LYS   1 -12.625  -5.050 -15.867
   12   2HE   LYS   1           HE2      LYS   1 -13.852  -4.669 -14.666
   13   1HZ   LYS   1           HZ1      LYS   1 -14.693  -6.524 -15.698
   14   2HZ   LYS   1           HZ2      LYS   1 -13.930  -7.200 -14.338
   15   3HZ   LYS   1           HZ3      LYS   1 -13.176  -7.271 -15.858
   16    OH   TYR   2           OH       TYR   2 -10.343   2.566 -10.101
   17    H    TYR   2           HN       TYR   2 -13.829  -2.289 -11.285
   18    HA   TYR   2           HA       TYR   2 -14.318  -2.038  -8.363
   19   1HB   TYR   2           HB1      TYR   2 -15.735  -0.124  -9.010
   20   2HB   TYR   2           HB2      TYR   2 -15.582  -0.549 -10.709
   21    HD1  TYR   2           HD2      TYR   2 -13.539   0.407  -7.731
   22    HD2  TYR   2           HD1      TYR   2 -13.784   0.303 -11.975
   23    HE1  TYR   2           HE2      TYR   2 -11.501   1.762  -7.882
   24    HE2  TYR   2           HE1      TYR   2 -11.749   1.658 -12.127
   25    HH   TYR   2           HH       TYR   2  -9.587   1.979 -10.019
   26    H    ILE   3           HN       ILE   3 -15.032  -4.474  -9.003
   27    HA   ILE   3           HA       ILE   3 -18.006  -4.369  -9.341
   28    HB   ILE   3           HB       ILE   3 -16.195  -6.758  -9.894
   29   1HG1  ILE   3          HG11      ILE   3 -15.482  -4.965 -11.380
   30   2HG1  ILE   3          HG12      ILE   3 -17.149  -4.589 -11.798
   31   1HG2  ILE   3          HG21      ILE   3 -18.141  -7.687 -10.910
   32   2HG2  ILE   3          HG22      ILE   3 -18.880  -6.109 -11.162
   33   3HG2  ILE   3          HG23      ILE   3 -18.832  -6.811  -9.547
   34   1HD1  ILE   3           HD1      ILE   3 -16.055  -7.368 -12.234
   35   2HD1  ILE   3           HD2      ILE   3 -15.774  -6.102 -13.427
   36   3HD1  ILE   3           HD3      ILE   3 -17.420  -6.586 -13.027
   37    H    CYS   4           HN       CYS   4 -18.692  -4.367  -7.219
   38    HA   CYS   4           HA       CYS   4 -17.400  -5.641  -5.076
   39   1HB   CYS   4           HB1      CYS   4 -20.344  -5.138  -5.568
   40   2HB   CYS   4           HB2      CYS   4 -19.259  -4.183  -4.600
   41    H    GLU   5           HN       GLU   5 -16.797  -7.650  -4.954
   42    HA   GLU   5           HA       GLU   5 -17.815  -9.785  -6.506
   43   1HB   GLU   5           HB1      GLU   5 -16.585 -11.225  -4.789
   44   2HB   GLU   5           HB2      GLU   5 -16.282  -9.756  -3.870
   45   1HG   GLU   5           HG1      GLU   5 -15.089  -8.775  -5.783
   46   2HG   GLU   5           HG2      GLU   5 -15.447 -10.198  -6.757
   47    H    GLU   6           HN       GLU   6 -19.104  -8.337  -3.689
   48    HA   GLU   6           HA       GLU   6 -20.565 -10.731  -2.898
   49   1HB   GLU   6           HB1      GLU   6 -21.167  -7.967  -1.851
   50   2HB   GLU   6           HB2      GLU   6 -19.646  -8.728  -1.407
   51   1HG   GLU   6           HG1      GLU   6 -22.292 -10.167  -1.109
   52   2HG   GLU   6           HG2      GLU   6 -21.635  -9.150   0.172
   53    H    CYS   7           HN       CYS   7 -21.676  -7.425  -3.618
   54    HA   CYS   7           HA       CYS   7 -24.290  -8.461  -4.403
   55   1HB   CYS   7           HB1      CYS   7 -24.897  -6.170  -4.688
   56   2HB   CYS   7           HB2      CYS   7 -23.254  -5.676  -4.963
   57    H    GLY   8           HN       GLY   8 -21.634  -6.780  -6.042
   58   1HA   GLY   8           HA1      GLY   8 -22.567  -7.997  -8.609
   59   2HA   GLY   8           HA2      GLY   8 -20.887  -7.613  -8.251
   60    H    ILE   9           HN       ILE   9 -22.037  -5.063  -6.922
   61    HA   ILE   9           HA       ILE   9 -23.231  -3.505  -8.962
   62    HB   ILE   9           HB       ILE   9 -22.945  -2.999  -6.410
   63   1HG1  ILE   9          HG11      ILE   9 -22.859  -1.110  -8.719
   64   2HG1  ILE   9          HG12      ILE   9 -22.622  -0.431  -7.113
   65   1HG2  ILE   9          HG21      ILE   9 -20.973  -1.763  -5.771
   66   2HG2  ILE   9          HG22      ILE   9 -20.471  -1.528  -7.437
   67   3HG2  ILE   9          HG23      ILE   9 -20.345  -3.116  -6.689
   68   1HD1  ILE   9           HD1      ILE   9 -25.063  -0.659  -8.031
   69   2HD1  ILE   9           HD2      ILE   9 -24.742  -1.134  -6.366
   70   3HD1  ILE   9           HD3      ILE   9 -24.881  -2.361  -7.620
   71    NH1  ARG  10           NH1      ARG  10 -22.336  -1.965 -16.695
   72    NH2  ARG  10           NH2      ARG  10 -20.601  -3.026 -17.736
   73    H    ARG  10           HN       ARG  10 -22.448  -2.688 -10.768
   74    HA   ARG  10           HA       ARG  10 -19.502  -2.770 -11.193
   75   1HB   ARG  10           HB1      ARG  10 -21.789  -2.367 -13.183
   76   2HB   ARG  10           HB2      ARG  10 -21.059  -3.925 -12.818
   77   1HG   ARG  10           HG1      ARG  10 -18.807  -2.625 -13.408
   78   2HG   ARG  10           HG2      ARG  10 -19.907  -1.591 -14.313
   79   1HD   ARG  10           HD1      ARG  10 -19.660  -4.606 -14.599
   80   2HD   ARG  10           HD2      ARG  10 -19.085  -3.409 -15.756
   81    HE   ARG  10           HE       ARG  10 -21.924  -4.101 -15.256
   82   1HH1  ARG  10          HH11      ARG  10 -22.911  -1.858 -15.884
   83   2HH1  ARG  10          HH12      ARG  10 -22.496  -1.395 -17.501
   84   1HH2  ARG  10          HH21      ARG  10 -19.875  -3.714 -17.707
   85   2HH2  ARG  10          HH22      ARG  10 -20.733  -2.474 -18.560
   86    H    ABA  11           HN       ABU  11 -18.915  -0.836 -10.155
   87    HA   ABA  11           HA       ABU  11 -20.146   1.669 -11.213
   88   1HB   ABA  11           HB1      ABU  11 -18.477   2.604  -9.364
   89   2HB   ABA  11           HB2      ABU  11 -18.490   0.948  -8.798
   90   1HG   ABA  11           HG1      ABU  11 -20.874   2.790  -9.115
   91   2HG   ABA  11           HG2      ABU  11 -20.259   2.086  -7.622
   92   3HG   ABA  11           HG3      ABU  11 -21.031   1.059  -8.825
   93    H    LYS  12           HN       LYS  12 -19.222   2.440 -12.961
   94    HA   LYS  12           HA       LYS  12 -16.575   1.780 -13.796
   95   1HB   LYS  12           HB1      LYS  12 -17.006   3.363 -15.612
   96   2HB   LYS  12           HB2      LYS  12 -18.289   4.137 -14.689
   97   1HG   LYS  12           HG1      LYS  12 -19.641   2.110 -14.768
   98   2HG   LYS  12           HG2      LYS  12 -18.330   1.222 -15.535
   99   1HD   LYS  12           HD1      LYS  12 -18.435   2.858 -17.450
  100   2HD   LYS  12           HD2      LYS  12 -19.863   3.566 -16.704
  101   1HE   LYS  12           HE1      LYS  12 -19.528   0.752 -17.771
  102   2HE   LYS  12           HE2      LYS  12 -20.686   1.969 -18.291
  103   1HZ   LYS  12           HZ1      LYS  12 -21.444   1.829 -15.828
  104   2HZ   LYS  12           HZ2      LYS  12 -20.701   0.303 -15.880
  105   3HZ   LYS  12           HZ3      LYS  12 -21.967   0.668 -16.952
  106    H    LYS  13           HN       LYS  13 -17.241   3.442 -11.181
  107    HA   LYS  13           HA       LYS  13 -14.848   5.140 -11.501
  108   1HB   LYS  13           HB1      LYS  13 -16.254   6.935 -10.156
  109   2HB   LYS  13           HB2      LYS  13 -17.638   6.037 -10.778
  110   1HG   LYS  13           HG1      LYS  13 -16.808   6.343 -13.085
  111   2HG   LYS  13           HG2      LYS  13 -15.408   7.216 -12.473
  112   1HD   LYS  13           HD1      LYS  13 -16.665   9.082 -11.867
  113   2HD   LYS  13           HD2      LYS  13 -18.145   8.149 -11.674
  114   1HE   LYS  13           HE1      LYS  13 -16.834   8.477 -14.379
  115   2HE   LYS  13           HE2      LYS  13 -17.966   9.674 -13.760
  116   1HZ   LYS  13           HZ1      LYS  13 -19.083   8.046 -15.126
  117   2HZ   LYS  13           HZ2      LYS  13 -19.622   7.936 -13.518
  118   3HZ   LYS  13           HZ3      LYS  13 -18.531   6.786 -14.128
  119    HA   PRO  14           HA       PRO  14 -14.009   3.389  -7.455
  120   1HB   PRO  14           HB1      PRO  14 -11.800   4.014  -7.279
  121   2HB   PRO  14           HB2      PRO  14 -12.320   5.558  -6.602
  122   1HG   PRO  14           HG1      PRO  14 -11.094   5.147  -9.142
  123   2HG   PRO  14           HG2      PRO  14 -11.804   6.650  -8.550
  124   1HD   PRO  14           HD1      PRO  14 -13.449   6.422 -10.125
  125   2HD   PRO  14           HD2      PRO  14 -12.834   4.815 -10.566
  126    H    SER  15           HN       SER  15 -14.473   6.936  -7.537
  127    HA   SER  15           HA       SER  15 -15.136   7.406  -4.889
  128   1HB   SER  15           HB1      SER  15 -15.245   8.988  -7.037
  129   2HB   SER  15           HB2      SER  15 -16.333   9.341  -5.681
  130    HG   SER  15           HG1      SER  15 -16.978   8.625  -8.155
  131    H    MET  16           HN       MET  16 -17.328   6.144  -7.392
  132    HA   MET  16           HA       MET  16 -19.569   5.896  -5.582
  133   1HB   MET  16           HB1      MET  16 -20.481   4.414  -7.449
  134   2HB   MET  16           HB2      MET  16 -18.931   4.573  -8.258
  135   1HG   MET  16           HG1      MET  16 -19.217   6.843  -8.680
  136   2HG   MET  16           HG2      MET  16 -20.380   7.045  -7.400
  137   1HE   MET  16           HE1      MET  16 -23.591   6.365  -8.406
  138   2HE   MET  16           HE2      MET  16 -22.362   5.807  -7.271
  139   3HE   MET  16           HE3      MET  16 -22.957   4.725  -8.530
  140    H    LEU  17           HN       LEU  17 -17.349   3.434  -6.973
  141    HA   LEU  17           HA       LEU  17 -18.423   1.266  -5.504
  142   1HB   LEU  17           HB1      LEU  17 -15.461   1.610  -6.147
  143   2HB   LEU  17           HB2      LEU  17 -16.628   1.278  -7.406
  144    HG   LEU  17           HG       LEU  17 -15.412  -0.779  -6.506
  145   1HD1  LEU  17          HD11      LEU  17 -15.522   0.013  -4.089
  146   2HD1  LEU  17          HD12      LEU  17 -15.934  -1.671  -4.370
  147   3HD1  LEU  17          HD13      LEU  17 -17.209  -0.497  -4.098
  148   1HD2  LEU  17          HD21      LEU  17 -18.403  -0.950  -6.044
  149   2HD2  LEU  17          HD22      LEU  17 -17.319  -2.222  -6.584
  150   3HD2  LEU  17          HD23      LEU  17 -17.683  -0.872  -7.642
  151    H    LYS  18           HN       LYS  18 -15.584   3.247  -4.815
  152    HA   LYS  18           HA       LYS  18 -14.722   2.398  -2.400
  153   1HB   LYS  18           HB1      LYS  18 -14.611   4.967  -1.764
  154   2HB   LYS  18           HB2      LYS  18 -15.265   5.224  -3.376
  155   1HG   LYS  18           HG1      LYS  18 -13.385   3.962  -4.356
  156   2HG   LYS  18           HG2      LYS  18 -12.740   3.658  -2.748
  157   1HD   LYS  18           HD1      LYS  18 -12.991   6.371  -2.654
  158   2HD   LYS  18           HD2      LYS  18 -12.682   6.150  -4.370
  159   1HE   LYS  18           HE1      LYS  18 -10.508   6.309  -3.509
  160   2HE   LYS  18           HE2      LYS  18 -10.747   4.568  -3.551
  161   1HZ   LYS  18           HZ1      LYS  18 -10.578   6.368  -1.278
  162   2HZ   LYS  18           HZ2      LYS  18 -10.078   4.752  -1.430
  163   3HZ   LYS  18           HZ3      LYS  18 -11.713   5.112  -1.152
  164    H    LYS  19           HN       LYS  19 -17.503   4.598  -2.760
  165    HA   LYS  19           HA       LYS  19 -18.198   4.508   0.006
  166   1HB   LYS  19           HB1      LYS  19 -20.456   5.352  -0.895
  167   2HB   LYS  19           HB2      LYS  19 -19.788   5.165  -2.512
  168   1HG   LYS  19           HG1      LYS  19 -18.019   6.757  -2.032
  169   2HG   LYS  19           HG2      LYS  19 -18.485   6.833  -0.337
  170   1HD   LYS  19           HD1      LYS  19 -20.597   7.876  -0.891
  171   2HD   LYS  19           HD2      LYS  19 -20.340   7.603  -2.609
  172   1HE   LYS  19           HE1      LYS  19 -18.633   9.373  -0.829
  173   2HE   LYS  19           HE2      LYS  19 -19.811   9.940  -2.006
  174   1HZ   LYS  19           HZ1      LYS  19 -17.129   9.065  -2.404
  175   2HZ   LYS  19           HZ2      LYS  19 -18.151   9.932  -3.446
  176   3HZ   LYS  19           HZ3      LYS  19 -18.214   8.236  -3.412
  177    H    HIS  20           HN       HIS  20 -19.205   2.628  -2.800
  178    HA   HIS  20           HA       HIS  20 -21.339   1.211  -1.568
  179   1HB   HIS  20           HB1      HIS  20 -19.395   0.273  -3.713
  180   2HB   HIS  20           HB2      HIS  20 -20.896   1.136  -4.026
  181    HD1  HIS  20           HD1      HIS  20 -22.822  -0.432  -4.288
  182    HD2  HIS  20           HD2      HIS  20 -19.746  -2.255  -2.345
  183    HE1  HIS  20           HE1      HIS  20 -23.544  -2.749  -3.962
  184    H    ILE  21           HN       ILE  21 -17.919   0.240  -1.985
  185    HA   ILE  21           HA       ILE  21 -18.186  -2.204  -0.583
  186    HB   ILE  21           HB       ILE  21 -16.092  -1.040  -1.864
  187   1HG1  ILE  21          HG11      ILE  21 -15.902  -3.035   0.424
  188   2HG1  ILE  21          HG12      ILE  21 -14.603  -2.731  -0.721
  189   1HG2  ILE  21          HG21      ILE  21 -15.273  -0.792   1.068
  190   2HG2  ILE  21          HG22      ILE  21 -15.880   0.583   0.167
  191   3HG2  ILE  21          HG23      ILE  21 -14.410  -0.209  -0.349
  192   1HD1  ILE  21           HD1      ILE  21 -16.911  -3.148  -2.302
  193   2HD1  ILE  21           HD2      ILE  21 -16.967  -4.380  -1.047
  194   3HD1  ILE  21           HD3      ILE  21 -15.558  -4.253  -2.093
  195    NH1  ARG  22           NH2      ARG  22 -14.106   6.260   3.765
  196    NH2  ARG  22           NH1      ARG  22 -12.875   5.335   2.078
  197    H    ARG  22           HN       ARG  22 -17.904   1.086   0.576
  198    HA   ARG  22           HA       ARG  22 -17.434   0.275   3.356
  199   1HB   ARG  22           HB1      ARG  22 -18.166   2.794   3.685
  200   2HB   ARG  22           HB2      ARG  22 -18.116   2.874   1.928
  201   1HG   ARG  22           HG1      ARG  22 -15.776   2.099   1.944
  202   2HG   ARG  22           HG2      ARG  22 -15.820   1.961   3.696
  203   1HD   ARG  22           HD1      ARG  22 -16.374   4.426   3.800
  204   2HD   ARG  22           HD2      ARG  22 -16.099   4.505   2.061
  205    HE   ARG  22           HE       ARG  22 -13.860   3.320   3.510
  206   1HH1  ARG  22          HH21      ARG  22 -14.802   6.154   4.475
  207   2HH1  ARG  22          HH22      ARG  22 -13.660   7.145   3.631
  208   1HH2  ARG  22          HH11      ARG  22 -12.648   4.534   1.523
  209   2HH2  ARG  22          HH12      ARG  22 -12.408   6.204   1.914
  210    H    THR  23           HN       THR  23 -20.131   0.461   1.297
  211    HA   THR  23           HA       THR  23 -22.087   1.033   3.356
  212    HB   THR  23           HB       THR  23 -22.470  -0.418   0.660
  213    HG1  THR  23           HG1      THR  23 -21.518   1.909   1.131
  214   1HG2  THR  23          HG21      THR  23 -24.686   1.110   1.022
  215   2HG2  THR  23          HG22      THR  23 -24.297   0.865   2.721
  216   3HG2  THR  23          HG23      THR  23 -24.621  -0.516   1.687
  217    H    HIS  24           HN       HIS  24 -20.149  -1.632   2.728
  218    HA   HIS  24           HA       HIS  24 -22.134  -3.609   3.678
  219   1HB   HIS  24           HB1      HIS  24 -19.934  -5.088   3.570
  220   2HB   HIS  24           HB2      HIS  24 -19.259  -3.711   2.703
  221    HD1  HIS  24           HD1      HIS  24 -22.205  -6.015   2.394
  222    HD2  HIS  24           HD2      HIS  24 -19.938  -3.567   0.042
  223    HE1  HIS  24           HE1      HIS  24 -22.981  -6.406   0.081
  224    H    THR  25           HN       THR  25 -20.658  -1.276   5.215
  225    HA   THR  25           HA       THR  25 -19.660  -2.913   7.491
  226    HB   THR  25           HB       THR  25 -18.842  -0.573   8.256
  227    HG1  THR  25           HG1      THR  25 -20.455  -0.070   6.127
  228   1HG2  THR  25          HG21      THR  25 -17.341  -0.217   6.123
  229   2HG2  THR  25          HG22      THR  25 -18.125  -1.667   5.503
  230   3HG2  THR  25          HG23      THR  25 -17.150  -1.752   6.967
  231    H    ASP  26           HN       ASP  26 -20.715   0.257   8.104
  232    HA   ASP  26           HA       ASP  26 -23.437  -0.432   8.872
  233   1HB   ASP  26           HB1      ASP  26 -23.009   0.112  11.326
  234   2HB   ASP  26           HB2      ASP  26 -21.281   0.100  10.980
  235    H    VAL  27           HN       VAL  27 -21.962   1.443   7.263
  236    HA   VAL  27           HA       VAL  27 -22.487   4.018   8.651
  237    HB   VAL  27           HB       VAL  27 -20.297   3.741   7.556
  238   1HG1  VAL  27          HG11      VAL  27 -21.855   3.299   4.994
  239   2HG1  VAL  27          HG12      VAL  27 -21.020   2.042   5.890
  240   3HG1  VAL  27          HG13      VAL  27 -20.105   3.345   5.148
  241   1HG2  VAL  27          HG21      VAL  27 -22.056   5.865   7.128
  242   2HG2  VAL  27          HG22      VAL  27 -21.399   5.529   5.529
  243   3HG2  VAL  27          HG23      VAL  27 -20.315   5.898   6.866
  244    NH1  ARG  28           NH2      ARG  28 -26.438  -1.946   2.655
  245    NH2  ARG  28           NH1      ARG  28 -25.109  -2.940   4.226
  246    H    ARG  28           HN       ARG  28 -24.764   2.682   8.057
  247    HA   ARG  28           HA       ARG  28 -25.876   4.066   5.655
  248   1HB   ARG  28           HB1      ARG  28 -27.698   2.255   5.982
  249   2HB   ARG  28           HB2      ARG  28 -26.581   1.515   7.123
  250   1HG   ARG  28           HG1      ARG  28 -24.844   1.485   5.307
  251   2HG   ARG  28           HG2      ARG  28 -26.064   2.077   4.186
  252   1HD   ARG  28           HD1      ARG  28 -27.293   0.081   4.272
  253   2HD   ARG  28           HD2      ARG  28 -26.618  -0.394   5.825
  254    HE   ARG  28           HE       ARG  28 -24.441  -0.344   4.093
  255   1HH1  ARG  28          HH21      ARG  28 -26.822  -1.109   2.265
  256   2HH1  ARG  28          HH22      ARG  28 -26.668  -2.834   2.259
  257   1HH2  ARG  28          HH11      ARG  28 -24.498  -2.848   5.013
  258   2HH2  ARG  28          HH12      ARG  28 -25.316  -3.845   3.857
  259    HA   PRO  29           HA       PRO  29 -27.797   6.130   9.353
  260   1HB   PRO  29           HB1      PRO  29 -27.265   8.335   8.998
  261   2HB   PRO  29           HB2      PRO  29 -28.345   8.401   7.605
  262   1HG   PRO  29           HG1      PRO  29 -25.429   8.234   7.626
  263   2HG   PRO  29           HG2      PRO  29 -26.499   8.462   6.242
  264   1HD   PRO  29           HD1      PRO  29 -26.259   6.281   5.633
  265   2HD   PRO  29           HD2      PRO  29 -25.050   6.093   6.915
  266    OH   TYR  30           OH       TYR  30 -29.231  10.660   2.877
  267    H    TYR  30           HN       TYR  30 -28.896   5.611   6.083
  268    HA   TYR  30           HA       TYR  30 -31.668   6.350   6.700
  269   1HB   TYR  30           HB1      TYR  30 -32.114   5.468   4.393
  270   2HB   TYR  30           HB2      TYR  30 -30.479   4.828   4.320
  271    HD1  TYR  30           HD1      TYR  30 -32.268   8.053   4.993
  272    HD2  TYR  30           HD2      TYR  30 -28.809   6.182   3.371
  273    HE1  TYR  30           HE1      TYR  30 -31.464  10.227   4.195
  274    HE2  TYR  30           HE2      TYR  30 -28.004   8.357   2.583
  275    HH   TYR  30           HH       TYR  30 -28.594  10.500   2.175
  276    H    HIS  31           HN       HIS  31 -32.156   5.016   8.471
  277    HA   HIS  31           HA       HIS  31 -32.193   2.078   7.965
  278   1HB   HIS  31           HB1      HIS  31 -32.676   1.965  10.442
  279   2HB   HIS  31           HB2      HIS  31 -32.632   3.725  10.503
  280    HD1  HIS  31           HD1      HIS  31 -30.392   0.872   9.928
  281    HD2  HIS  31           HD2      HIS  31 -30.094   4.878  10.476
  282    HE1  HIS  31           HE1      HIS  31 -28.020   1.285  10.226
  283    H    CYS  32           HN       CYS  32 -34.079   0.911   7.883
  284    HA   CYS  32           HA       CYS  32 -36.503   2.292   7.235
  285   1HB   CYS  32           HB1      CYS  32 -35.808  -0.569   7.969
  286   2HB   CYS  32           HB2      CYS  32 -36.288   0.059   6.414
  287    H    THR  33           HN       THR  33 -38.444   2.466   8.438
  288    HA   THR  33           HA       THR  33 -37.940   2.836  11.309
  289    HB   THR  33           HB       THR  33 -40.662   3.191   9.978
  290    HG1  THR  33           HG1      THR  33 -39.137   5.373   9.861
  291   1HG2  THR  33          HG21      THR  33 -39.184   5.191  11.707
  292   2HG2  THR  33          HG22      THR  33 -39.861   3.777  12.508
  293   3HG2  THR  33          HG23      THR  33 -40.916   4.881  11.633
  294    OH   TYR  34           OH       TYR  34 -44.628   2.430   9.432
  295    H    TYR  34           HN       TYR  34 -38.254   0.135   9.851
  296    HA   TYR  34           HA       TYR  34 -39.975  -1.050  11.966
  297   1HB   TYR  34           HB1      TYR  34 -41.097  -2.503  10.284
  298   2HB   TYR  34           HB2      TYR  34 -40.178  -1.747   8.992
  299    HD1  TYR  34           HD2      TYR  34 -40.501   0.771   8.604
  300    HD2  TYR  34           HD1      TYR  34 -43.121  -1.519  11.050
  301    HE1  TYR  34           HE2      TYR  34 -42.231   2.490   8.361
  302    HE2  TYR  34           HE1      TYR  34 -44.852   0.200  10.800
  303    HH   TYR  34           HH       TYR  34 -45.248   2.332  10.158
  304    H    CYS  35           HN       CYS  35 -38.268  -2.157   9.051
  305    HA   CYS  35           HA       CYS  35 -37.286  -4.553  10.298
  306   1HB   CYS  35           HB1      CYS  35 -35.955  -4.805   8.284
  307   2HB   CYS  35           HB2      CYS  35 -36.045  -3.101   7.939
  308    H    ASN  36           HN       ASN  36 -34.721  -4.803   9.693
  309    HA   ASN  36           HA       ASN  36 -33.353  -2.809  11.455
  310   1HB   ASN  36           HB1      ASN  36 -32.469  -5.685  10.927
  311   2HB   ASN  36           HB2      ASN  36 -33.595  -5.295  12.224
  312   1HD2  ASN  36          HD21      ASN  36 -32.563  -2.915  13.229
  313   2HD2  ASN  36          HD22      ASN  36 -30.994  -3.165  13.826
  314    H    PHE  37           HN       PHE  37 -33.807  -3.469   8.386
  315    HA   PHE  37           HA       PHE  37 -31.032  -3.563   7.444
  316   1HB   PHE  37           HB1      PHE  37 -33.324  -2.867   5.633
  317   2HB   PHE  37           HB2      PHE  37 -33.361  -4.462   6.380
  318    HD1  PHE  37           HD2      PHE  37 -31.194  -5.895   6.181
  319    HD2  PHE  37           HD1      PHE  37 -31.987  -2.500   3.741
  320    HE1  PHE  37           HE2      PHE  37 -29.564  -6.700   4.528
  321    HE2  PHE  37           HE1      PHE  37 -30.358  -3.309   2.089
  322    HZ   PHE  37           HZ       PHE  37 -29.145  -5.407   2.482
  323    H    SER  38           HN       SER  38 -30.197  -1.911   5.978
  324    HA   SER  38           HA       SER  38 -31.480   0.732   6.213
  325   1HB   SER  38           HB1      SER  38 -28.571   0.362   7.020
  326   2HB   SER  38           HB2      SER  38 -29.876   0.308   8.206
  327    HG   SER  38           HG1      SER  38 -29.540   2.372   6.292
  328    H    PHE  39           HN       PHE  39 -30.126   2.397   5.027
  329    HA   PHE  39           HA       PHE  39 -28.680   1.164   2.735
  330   1HB   PHE  39           HB1      PHE  39 -30.024   2.432   1.178
  331   2HB   PHE  39           HB2      PHE  39 -30.729   3.395   2.478
  332    HD1  PHE  39           HD2      PHE  39 -32.354   2.368   4.051
  333    HD2  PHE  39           HD1      PHE  39 -30.835   0.175   0.732
  334    HE1  PHE  39           HE2      PHE  39 -34.095   0.672   4.372
  335    HE2  PHE  39           HE1      PHE  39 -32.599  -1.506   1.042
  336    HZ   PHE  39           HZ       PHE  39 -34.224  -1.261   2.869
  337    H    LYS  40           HN       LYS  40 -27.295   2.615   1.605
  338    HA   LYS  40           HA       LYS  40 -26.123   4.632   3.397
  339   1HB   LYS  40           HB1      LYS  40 -25.338   3.450   0.695
  340   2HB   LYS  40           HB2      LYS  40 -24.626   3.092   2.248
  341   1HG   LYS  40           HG1      LYS  40 -24.453   5.768   0.828
  342   2HG   LYS  40           HG2      LYS  40 -23.159   4.591   0.975
  343   1HD   LYS  40           HD1      LYS  40 -23.588   4.774   3.539
  344   2HD   LYS  40           HD2      LYS  40 -24.405   6.279   3.130
  345   1HE   LYS  40           HE1      LYS  40 -22.044   6.731   3.629
  346   2HE   LYS  40           HE2      LYS  40 -22.359   7.038   1.927
  347   1HZ   LYS  40           HZ1      LYS  40 -20.664   5.686   1.535
  348   2HZ   LYS  40           HZ2      LYS  40 -21.673   4.403   2.006
  349   3HZ   LYS  40           HZ3      LYS  40 -20.624   5.116   3.136
  350    H    THR  41           HN       THR  41 -28.254   4.516   0.723
  351    HA   THR  41           HA       THR  41 -28.003   7.484   0.417
  352    HB   THR  41           HB       THR  41 -28.286   7.260  -1.970
  353    HG1  THR  41           HG1      THR  41 -28.813   4.821  -2.455
  354   1HG2  THR  41          HG21      THR  41 -26.587   5.681  -2.656
  355   2HG2  THR  41          HG22      THR  41 -27.004   4.552  -1.370
  356   3HG2  THR  41          HG23      THR  41 -26.121   6.028  -0.995
  357    H    LYS  42           HN       LYS  42 -29.933   8.575  -0.219
  358    HA   LYS  42           HA       LYS  42 -32.232   7.586   1.199
  359   1HB   LYS  42           HB1      LYS  42 -31.853   9.980  -0.668
  360   2HB   LYS  42           HB2      LYS  42 -31.723  10.015   1.085
  361   1HG   LYS  42           HG1      LYS  42 -34.238   9.437  -0.525
  362   2HG   LYS  42           HG2      LYS  42 -33.916  10.871   0.436
  363   1HD   LYS  42           HD1      LYS  42 -33.552   9.114   2.384
  364   2HD   LYS  42           HD2      LYS  42 -34.548   8.087   1.358
  365   1HE   LYS  42           HE1      LYS  42 -36.043   9.269   2.839
  366   2HE   LYS  42           HE2      LYS  42 -36.224   9.987   1.245
  367   1HZ   LYS  42           HZ1      LYS  42 -34.373  11.079   3.276
  368   2HZ   LYS  42           HZ2      LYS  42 -35.996  11.567   3.161
  369   3HZ   LYS  42           HZ3      LYS  42 -34.937  11.827   1.859
  370    H    GLY  43           HN       GLY  43 -31.061   7.277  -1.985
  371   1HA   GLY  43           HA1      GLY  43 -31.995   6.308  -3.912
  372   2HA   GLY  43           HA2      GLY  43 -33.524   7.034  -3.427
  373    H    ASN  44           HN       ASN  44 -31.385   4.290  -2.738
  374    HA   ASN  44           HA       ASN  44 -33.217   2.251  -3.044
  375   1HB   ASN  44           HB1      ASN  44 -31.826   1.066  -1.183
  376   2HB   ASN  44           HB2      ASN  44 -30.915   2.569  -1.073
  377   1HD2  ASN  44          HD21      ASN  44 -31.564   2.865  -4.135
  378   2HD2  ASN  44          HD22      ASN  44 -30.371   1.903  -4.866
  379    H    LEU  45           HN       LEU  45 -32.672   4.160  -0.106
  380    HA   LEU  45           HA       LEU  45 -34.347   2.829   1.676
  381   1HB   LEU  45           HB1      LEU  45 -33.931   5.837   1.246
  382   2HB   LEU  45           HB2      LEU  45 -33.025   4.804   2.329
  383    HG   LEU  45           HG       LEU  45 -34.539   5.957   3.751
  384   1HD1  LEU  45          HD11      LEU  45 -37.095   5.216   2.455
  385   2HD1  LEU  45          HD12      LEU  45 -36.128   6.348   1.527
  386   3HD1  LEU  45          HD13      LEU  45 -36.598   6.739   3.173
  387   1HD2  LEU  45          HD21      LEU  45 -34.446   3.430   4.013
  388   2HD2  LEU  45          HD22      LEU  45 -35.996   3.356   3.191
  389   3HD2  LEU  45          HD23      LEU  45 -35.858   4.207   4.719
  390    H    THR  46           HN       THR  46 -35.296   5.365  -0.642
  391    HA   THR  46           HA       THR  46 -38.078   5.296  -0.043
  392    HB   THR  46           HB       THR  46 -36.856   5.850  -2.808
  393    HG1  THR  46           HG1      THR  46 -35.709   6.901  -1.156
  394   1HG2  THR  46          HG21      THR  46 -39.464   5.972  -2.231
  395   2HG2  THR  46          HG22      THR  46 -38.729   7.353  -3.040
  396   3HG2  THR  46          HG23      THR  46 -39.012   7.398  -1.302
  397    H    LYS  47           HN       LYS  47 -36.099   3.332  -2.188
  398    HA   LYS  47           HA       LYS  47 -38.271   2.057  -3.559
  399   1HB   LYS  47           HB1      LYS  47 -35.769   0.495  -2.998
  400   2HB   LYS  47           HB2      LYS  47 -35.557   2.024  -3.843
  401   1HG   LYS  47           HG1      LYS  47 -37.237   1.320  -5.529
  402   2HG   LYS  47           HG2      LYS  47 -37.430  -0.215  -4.689
  403   1HD   LYS  47           HD1      LYS  47 -34.859  -0.456  -4.972
  404   2HD   LYS  47           HD2      LYS  47 -35.011   0.820  -6.172
  405   1HE   LYS  47           HE1      LYS  47 -36.291  -1.922  -6.195
  406   2HE   LYS  47           HE2      LYS  47 -35.219  -1.217  -7.398
  407   1HZ   LYS  47           HZ1      LYS  47 -37.209   0.553  -7.385
  408   2HZ   LYS  47           HZ2      LYS  47 -38.065  -0.869  -7.028
  409   3HZ   LYS  47           HZ3      LYS  47 -37.128  -0.773  -8.441
  410    H    HIS  48           HN       HIS  48 -36.656   1.403  -0.506
  411    HA   HIS  48           HA       HIS  48 -37.894  -1.193  -0.134
  412   1HB   HIS  48           HB1      HIS  48 -36.654   0.778   1.853
  413   2HB   HIS  48           HB2      HIS  48 -35.838  -0.588   1.098
  414    HD1  HIS  48           HD1      HIS  48 -37.254  -2.917   1.669
  415    HD2  HIS  48           HD2      HIS  48 -37.656   0.153   4.339
  416    HE1  HIS  48           HE1      HIS  48 -38.074  -3.951   3.729
  417    H    MET  49           HN       MET  49 -38.740   2.107   0.709
  418    HA   MET  49           HA       MET  49 -40.953   1.323   2.427
  419   1HB   MET  49           HB1      MET  49 -41.533   3.763   2.279
  420   2HB   MET  49           HB2      MET  49 -40.323   3.964   1.016
  421   1HG   MET  49           HG1      MET  49 -39.508   4.601   3.286
  422   2HG   MET  49           HG2      MET  49 -38.548   3.376   2.501
  423   1HE   MET  49           HE1      MET  49 -41.354   2.989   6.030
  424   2HE   MET  49           HE2      MET  49 -42.008   2.387   4.506
  425   3HE   MET  49           HE3      MET  49 -41.456   4.057   4.630
  426    H    LYS  50           HN       LYS  50 -40.611   2.317  -0.953
  427    HA   LYS  50           HA       LYS  50 -43.292   2.657  -1.659
  428   1HB   LYS  50           HB1      LYS  50 -41.292   1.073  -3.338
  429   2HB   LYS  50           HB2      LYS  50 -41.197   2.821  -3.165
  430   1HG   LYS  50           HG1      LYS  50 -43.839   1.638  -3.938
  431   2HG   LYS  50           HG2      LYS  50 -42.578   1.700  -5.164
  432   1HD   LYS  50           HD1      LYS  50 -42.303   4.122  -4.777
  433   2HD   LYS  50           HD2      LYS  50 -43.535   4.070  -3.522
  434   1HE   LYS  50           HE1      LYS  50 -45.010   2.989  -5.438
  435   2HE   LYS  50           HE2      LYS  50 -43.849   3.779  -6.498
  436   1HZ   LYS  50           HZ1      LYS  50 -44.430   5.728  -4.747
  437   2HZ   LYS  50           HZ2      LYS  50 -45.920   4.922  -4.857
  438   3HZ   LYS  50           HZ3      LYS  50 -45.179   5.530  -6.259
  439    H    SER  51           HN       SER  51 -41.476  -0.378  -1.407
  440    HA   SER  51           HA       SER  51 -43.453  -2.152  -2.315
  441   1HB   SER  51           HB1      SER  51 -40.960  -2.504  -1.305
  442   2HB   SER  51           HB2      SER  51 -42.134  -3.834  -1.272
  443    HG   SER  51           HG1      SER  51 -41.465  -1.991   0.762
  444    H    LYS  52           HN       LYS  52 -45.195  -3.160  -1.390
  445    HA   LYS  52           HA       LYS  52 -46.561  -1.707   0.703
  446   1HB   LYS  52           HB1      LYS  52 -47.805  -2.889  -1.083
  447   2HB   LYS  52           HB2      LYS  52 -48.247  -3.574   0.477
  448   1HG   LYS  52           HG1      LYS  52 -46.680  -5.430   0.144
  449   2HG   LYS  52           HG2      LYS  52 -46.127  -4.723  -1.371
  450   1HD   LYS  52           HD1      LYS  52 -48.559  -4.845  -2.160
  451   2HD   LYS  52           HD2      LYS  52 -48.873  -5.840  -0.742
  452   1HE   LYS  52           HE1      LYS  52 -48.369  -7.465  -2.349
  453   2HE   LYS  52           HE2      LYS  52 -46.801  -7.221  -1.592
  454   1HZ   LYS  52           HZ1      LYS  52 -46.859  -5.328  -3.525
  455   2HZ   LYS  52           HZ2      LYS  52 -47.653  -6.634  -4.264
  456   3HZ   LYS  52           HZ3      LYS  52 -46.085  -6.835  -3.642
  457    H    ALA  53           HN       ALA  53 -43.934  -3.351   1.149
  458    HA   ALA  53           HA       ALA  53 -44.302  -5.478   2.887
  459   1HB   ALA  53           HB1      ALA  53 -42.377  -3.135   3.302
  460   2HB   ALA  53           HB2      ALA  53 -42.071  -4.508   2.243
  461   3HB   ALA  53           HB3      ALA  53 -42.188  -4.747   3.984
  462    H    HIS  54           HN       HIS  54 -43.668  -2.265   4.267
  463    HA   HIS  54           HA       HIS  54 -46.025  -2.532   5.993
  464   1HB   HIS  54           HB1      HIS  54 -44.637  -3.621   7.505
  465   2HB   HIS  54           HB2      HIS  54 -44.252  -1.966   7.949
  466    HD1  HIS  54           HD1      HIS  54 -42.820  -4.868   6.229
  467    HD2  HIS  54           HD2      HIS  54 -41.649  -1.055   7.127
  468    HE1  HIS  54           HE1      HIS  54 -40.395  -4.830   5.895
  469    H    SER  55           HN       SER  55 -46.753  -0.647   5.078
  470    HA   SER  55           HA       SER  55 -45.360   1.805   6.050
  471   1HB   SER  55           HB1      SER  55 -44.778   1.863   3.720
  472   2HB   SER  55           HB2      SER  55 -46.293   2.789   3.733
  473    HG   SER  55           HG1      SER  55 -46.280  -0.026   3.539
  474    H    LYS  56           HN       LYS  56 -47.885   0.052   6.540
  475    HA   LYS  56           HA       LYS  56 -49.757   2.381   6.741
  476   1HB   LYS  56           HB1      LYS  56 -51.611   0.660   6.395
  477   2HB   LYS  56           HB2      LYS  56 -50.370  -0.528   6.017
  478   1HG   LYS  56           HG1      LYS  56 -49.705   0.626   4.050
  479   2HG   LYS  56           HG2      LYS  56 -50.514   2.108   4.543
  480   1HD   LYS  56           HD1      LYS  56 -52.196  -0.348   4.248
  481   2HD   LYS  56           HD2      LYS  56 -51.625   0.427   2.775
  482   1HE   LYS  56           HE1      LYS  56 -52.737   2.452   3.262
  483   2HE   LYS  56           HE2      LYS  56 -52.885   2.068   4.972
  484   1HZ   LYS  56           HZ1      LYS  56 -54.415   0.258   4.341
  485   2HZ   LYS  56           HZ2      LYS  56 -54.348   0.794   2.729
  486   3HZ   LYS  56           HZ3      LYS  56 -54.995   1.802   3.934
  487    H    LYS  57           HN       LYS  57 -48.427  -0.501   8.150
  488    HA   LYS  57           HA       LYS  57 -50.176  -0.915  10.300
  489   1HB   LYS  57           HB1      LYS  57 -47.143  -1.059  10.533
  490   2HB   LYS  57           HB2      LYS  57 -48.055  -2.246   9.609
  491   1HG   LYS  57           HG1      LYS  57 -49.057  -3.151  11.493
  492   2HG   LYS  57           HG2      LYS  57 -48.983  -1.637  12.387
  493   1HD   LYS  57           HD1      LYS  57 -47.380  -3.293  13.299
  494   2HD   LYS  57           HD2      LYS  57 -46.540  -1.894  12.640
  495   1HE   LYS  57           HE1      LYS  57 -45.595  -4.177  11.971
  496   2HE   LYS  57           HE2      LYS  57 -45.940  -3.073  10.645
  497   1HZ   LYS  57           HZ1      LYS  57 -46.799  -5.586  10.745
  498   2HZ   LYS  57           HZ2      LYS  57 -47.596  -4.353   9.890
  499   3HZ   LYS  57                 LYS  57 -48.129  -4.793  11.442
   
  Start of MODEL          47
 Raw file had 499 H/Q atoms
  Start of MODEL   47
    1   1H    LYS   1           HT1      LYS   1 -10.323  -3.063 -11.337
    2   2H    LYS   1           HT2      LYS   1  -9.884  -4.577 -10.706
    3   3H    LYS   1           HT3      LYS   1  -8.842  -3.768 -11.775
    4    HA   LYS   1           HA       LYS   1  -8.420  -3.735  -9.219
    5   1HB   LYS   1           HB1      LYS   1  -7.641  -1.221  -9.620
    6   2HB   LYS   1           HB2      LYS   1  -8.159  -1.520 -11.275
    7   1HG   LYS   1           HG1      LYS   1  -6.649  -3.439 -11.445
    8   2HG   LYS   1           HG2      LYS   1  -6.200  -3.273  -9.753
    9   1HD   LYS   1           HD1      LYS   1  -4.479  -2.250 -11.177
   10   2HD   LYS   1           HD2      LYS   1  -5.287  -1.011 -10.225
   11   1HE   LYS   1           HE1      LYS   1  -6.391  -1.667 -12.938
   12   2HE   LYS   1           HE2      LYS   1  -4.929  -0.694 -12.843
   13   1HZ   LYS   1           HZ1      LYS   1  -6.059   1.057 -12.126
   14   2HZ   LYS   1           HZ2      LYS   1  -6.961   0.151 -11.008
   15   3HZ   LYS   1           HZ3      LYS   1  -7.458   0.236 -12.630
   16    OH   TYR   2           OH       TYR   2  -7.507   2.806  -8.413
   17    H    TYR   2           HN       TYR   2 -11.350  -2.760 -10.285
   18    HA   TYR   2           HA       TYR   2 -11.928  -1.487  -7.682
   19   1HB   TYR   2           HB1      TYR   2 -13.120   0.405  -8.837
   20   2HB   TYR   2           HB2      TYR   2 -12.495  -0.164 -10.379
   21    HD1  TYR   2           HD2      TYR   2 -11.494   1.146  -7.054
   22    HD2  TYR   2           HD1      TYR   2 -10.245   0.330 -11.036
   23    HE1  TYR   2           HE2      TYR   2  -9.438   2.425  -6.673
   24    HE2  TYR   2           HE1      TYR   2  -8.182   1.597 -10.649
   25    HH   TYR   2           HH       TYR   2  -6.765   2.212  -8.550
   26    H    ILE   3           HN       ILE   3 -12.703  -3.987  -8.545
   27    HA   ILE   3           HA       ILE   3 -15.622  -3.596  -9.094
   28    HB   ILE   3           HB       ILE   3 -14.045  -6.137  -9.653
   29   1HG1  ILE   3          HG11      ILE   3 -12.903  -4.434 -10.920
   30   2HG1  ILE   3          HG12      ILE   3 -14.423  -3.713 -11.435
   31   1HG2  ILE   3          HG21      ILE   3 -15.941  -6.671 -11.041
   32   2HG2  ILE   3          HG22      ILE   3 -16.481  -4.996 -11.088
   33   3HG2  ILE   3          HG23      ILE   3 -16.659  -5.935  -9.611
   34   1HD1  ILE   3           HD1      ILE   3 -14.932  -5.513 -12.876
   35   2HD1  ILE   3           HD2      ILE   3 -13.815  -6.603 -12.057
   36   3HD1  ILE   3           HD3      ILE   3 -13.194  -5.317 -13.088
   37    H    CYS   4           HN       CYS   4 -16.885  -4.126  -7.406
   38    HA   CYS   4           HA       CYS   4 -15.769  -5.406  -5.095
   39   1HB   CYS   4           HB1      CYS   4 -18.618  -4.795  -5.904
   40   2HB   CYS   4           HB2      CYS   4 -17.623  -3.880  -4.807
   41    H    GLU   5           HN       GLU   5 -15.090  -7.405  -5.335
   42    HA   GLU   5           HA       GLU   5 -16.185  -9.384  -7.010
   43   1HB   GLU   5           HB1      GLU   5 -15.012 -10.964  -5.273
   44   2HB   GLU   5           HB2      GLU   5 -14.510  -9.474  -4.482
   45   1HG   GLU   5           HG1      GLU   5 -13.439  -8.704  -6.561
   46   2HG   GLU   5           HG2      GLU   5 -13.992 -10.150  -7.400
   47    H    GLU   6           HN       GLU   6 -17.437  -8.138  -4.086
   48    HA   GLU   6           HA       GLU   6 -18.874 -10.554  -3.366
   49   1HB   GLU   6           HB1      GLU   6 -19.629  -7.814  -2.370
   50   2HB   GLU   6           HB2      GLU   6 -18.088  -8.490  -1.870
   51   1HG   GLU   6           HG1      GLU   6 -20.702 -10.006  -1.614
   52   2HG   GLU   6           HG2      GLU   6 -20.053  -9.001  -0.320
   53    H    CYS   7           HN       CYS   7 -20.025  -7.288  -4.243
   54    HA   CYS   7           HA       CYS   7 -22.635  -8.363  -4.994
   55   1HB   CYS   7           HB1      CYS   7 -23.134  -6.068  -5.670
   56   2HB   CYS   7           HB2      CYS   7 -21.447  -5.649  -5.676
   57    H    GLY   8           HN       GLY   8 -20.050  -6.708  -6.753
   58   1HA   GLY   8           HA1      GLY   8 -20.956  -8.080  -9.251
   59   2HA   GLY   8           HA2      GLY   8 -19.253  -7.864  -8.858
   60    H    ILE   9           HN       ILE   9 -20.152  -5.164  -7.652
   61    HA   ILE   9           HA       ILE   9 -21.053  -3.593  -9.868
   62    HB   ILE   9           HB       ILE   9 -20.956  -3.120  -7.213
   63   1HG1  ILE   9          HG11      ILE   9 -20.650  -1.039  -9.406
   64   2HG1  ILE   9          HG12      ILE   9 -21.102  -0.651  -7.753
   65   1HG2  ILE   9          HG21      ILE   9 -19.095  -1.735  -6.555
   66   2HG2  ILE   9          HG22      ILE   9 -18.562  -1.503  -8.212
   67   3HG2  ILE   9          HG23      ILE   9 -18.345  -3.061  -7.425
   68   1HD1  ILE   9           HD1      ILE   9 -23.251  -1.108  -8.287
   69   2HD1  ILE   9           HD2      ILE   9 -22.800  -2.788  -8.548
   70   3HD1  ILE   9           HD3      ILE   9 -22.771  -1.651  -9.890
   71    NH1  ARG  10           NH2      ARG  10 -16.835  -3.127 -17.334
   72    NH2  ARG  10           NH1      ARG  10 -18.996  -3.104 -16.596
   73    H    ARG  10           HN       ARG  10 -19.909  -2.290 -11.276
   74    HA   ARG  10           HA       ARG  10 -16.953  -2.712 -11.303
   75   1HB   ARG  10           HB1      ARG  10 -18.671  -2.269 -13.772
   76   2HB   ARG  10           HB2      ARG  10 -18.493  -3.877 -13.099
   77   1HG   ARG  10           HG1      ARG  10 -16.704  -3.936 -14.565
   78   2HG   ARG  10           HG2      ARG  10 -15.871  -3.198 -13.211
   79   1HD   ARG  10           HD1      ARG  10 -15.453  -1.942 -15.300
   80   2HD   ARG  10           HD2      ARG  10 -16.337  -0.949 -14.148
   81    HE   ARG  10           HE       ARG  10 -17.994  -0.817 -15.809
   82   1HH1  ARG  10          HH21      ARG  10 -15.911  -2.745 -17.291
   83   2HH1  ARG  10          HH22      ARG  10 -17.036  -3.880 -17.960
   84   1HH2  ARG  10          HH11      ARG  10 -19.694  -2.706 -16.000
   85   2HH2  ARG  10          HH12      ARG  10 -19.233  -3.857 -17.210
   86    H    ABA  11           HN       ABU  11 -16.204  -0.807 -10.574
   87    HA   ABA  11           HA       ABU  11 -17.089   1.649 -12.049
   88   1HB   ABA  11           HB1      ABU  11 -16.819   2.910  -9.963
   89   2HB   ABA  11           HB2      ABU  11 -16.207   1.496  -9.135
   90   1HG   ABA  11           HG1      ABU  11 -18.526   1.745  -8.504
   91   2HG   ABA  11           HG2      ABU  11 -18.428   0.369  -9.596
   92   3HG   ABA  11           HG3      ABU  11 -19.016   1.917 -10.186
   93    H    LYS  12           HN       LYS  12 -15.328   1.440 -13.457
   94    HA   LYS  12           HA       LYS  12 -12.665   0.955 -12.897
   95   1HB   LYS  12           HB1      LYS  12 -12.233   2.641 -14.823
   96   2HB   LYS  12           HB2      LYS  12 -13.972   2.904 -14.830
   97   1HG   LYS  12           HG1      LYS  12 -14.273   0.407 -15.097
   98   2HG   LYS  12           HG2      LYS  12 -12.530   0.269 -15.271
   99   1HD   LYS  12           HD1      LYS  12 -13.505   0.380 -17.500
  100   2HD   LYS  12           HD2      LYS  12 -12.638   1.880 -17.198
  101   1HE   LYS  12           HE1      LYS  12 -15.519   1.828 -16.413
  102   2HE   LYS  12           HE2      LYS  12 -15.171   1.835 -18.136
  103   1HZ   LYS  12           HZ1      LYS  12 -14.845   3.919 -16.188
  104   2HZ   LYS  12           HZ2      LYS  12 -15.010   4.020 -17.876
  105   3HZ   LYS  12           HZ3      LYS  12 -13.489   3.710 -17.188
  106    H    LYS  13           HN       LYS  13 -14.495   3.614 -11.752
  107    HA   LYS  13           HA       LYS  13 -12.048   5.199 -11.247
  108   1HB   LYS  13           HB1      LYS  13 -13.659   6.981 -10.556
  109   2HB   LYS  13           HB2      LYS  13 -14.986   5.844 -10.764
  110   1HG   LYS  13           HG1      LYS  13 -14.472   5.619 -13.146
  111   2HG   LYS  13           HG2      LYS  13 -13.058   6.650 -12.966
  112   1HD   LYS  13           HD1      LYS  13 -15.674   7.744 -12.023
  113   2HD   LYS  13           HD2      LYS  13 -15.431   7.628 -13.763
  114   1HE   LYS  13           HE1      LYS  13 -13.506   8.970 -11.837
  115   2HE   LYS  13           HE2      LYS  13 -14.672   9.823 -12.840
  116   1HZ   LYS  13           HZ1      LYS  13 -13.300   9.717 -14.546
  117   2HZ   LYS  13           HZ2      LYS  13 -13.155   8.031 -14.411
  118   3HZ   LYS  13           HZ3      LYS  13 -12.117   9.046 -13.530
  119    HA   PRO  14           HA       PRO  14 -11.852   3.748  -7.026
  120   1HB   PRO  14           HB1      PRO  14  -9.838   4.727  -6.471
  121   2HB   PRO  14           HB2      PRO  14 -10.727   6.152  -5.936
  122   1HG   PRO  14           HG1      PRO  14  -8.969   6.028  -8.154
  123   2HG   PRO  14           HG2      PRO  14 -10.094   7.341  -7.800
  124   1HD   PRO  14           HD1      PRO  14 -11.225   6.759  -9.708
  125   2HD   PRO  14           HD2      PRO  14 -10.260   5.276  -9.871
  126    H    SER  15           HN       SER  15 -12.269   7.272  -6.728
  127    HA   SER  15           HA       SER  15 -13.803   7.589  -4.548
  128   1HB   SER  15           HB1      SER  15 -13.417   9.500  -6.038
  129   2HB   SER  15           HB2      SER  15 -15.179   9.343  -5.893
  130    HG   SER  15           HG1      SER  15 -15.187   8.131  -7.789
  131    H    MET  16           HN       MET  16 -15.133   6.322  -7.588
  132    HA   MET  16           HA       MET  16 -17.821   6.097  -6.556
  133   1HB   MET  16           HB1      MET  16 -17.940   4.368  -8.540
  134   2HB   MET  16           HB2      MET  16 -16.302   4.906  -8.901
  135   1HG   MET  16           HG1      MET  16 -17.336   6.512 -10.103
  136   2HG   MET  16           HG2      MET  16 -17.508   7.293  -8.553
  137   1HE   MET  16           HE1      MET  16 -19.058   8.413 -10.722
  138   2HE   MET  16           HE2      MET  16 -20.589   7.685 -11.206
  139   3HE   MET  16           HE3      MET  16 -19.066   6.927 -11.671
  140    H    LEU  17           HN       LEU  17 -15.351   3.604  -7.245
  141    HA   LEU  17           HA       LEU  17 -16.745   1.500  -5.927
  142   1HB   LEU  17           HB1      LEU  17 -13.716   1.759  -6.003
  143   2HB   LEU  17           HB2      LEU  17 -14.610   1.481  -7.473
  144    HG   LEU  17           HG       LEU  17 -13.752  -0.639  -6.469
  145   1HD1  LEU  17          HD11      LEU  17 -14.463  -1.425  -4.358
  146   2HD1  LEU  17          HD12      LEU  17 -15.740  -0.227  -4.235
  147   3HD1  LEU  17          HD13      LEU  17 -14.061   0.264  -4.087
  148   1HD2  LEU  17          HD21      LEU  17 -15.639  -1.898  -6.983
  149   2HD2  LEU  17          HD22      LEU  17 -16.063  -0.368  -7.734
  150   3HD2  LEU  17          HD23      LEU  17 -16.745  -0.798  -6.175
  151    H    LYS  18           HN       LYS  18 -14.038   3.500  -4.858
  152    HA   LYS  18           HA       LYS  18 -13.552   2.783  -2.308
  153   1HB   LYS  18           HB1      LYS  18 -14.215   5.699  -2.753
  154   2HB   LYS  18           HB2      LYS  18 -12.936   4.976  -3.719
  155   1HG   LYS  18           HG1      LYS  18 -12.890   4.447  -0.782
  156   2HG   LYS  18           HG2      LYS  18 -12.456   6.068  -1.312
  157   1HD   LYS  18           HD1      LYS  18 -10.778   5.095  -2.869
  158   2HD   LYS  18           HD2      LYS  18 -11.200   3.483  -2.302
  159   1HE   LYS  18           HE1      LYS  18 -10.352   5.639  -0.368
  160   2HE   LYS  18           HE2      LYS  18  -9.158   4.660  -1.210
  161   1HZ   LYS  18           HZ1      LYS  18 -10.409   2.681  -0.351
  162   2HZ   LYS  18           HZ2      LYS  18 -11.266   3.749   0.654
  163   3HZ   LYS  18           HZ3      LYS  18  -9.583   3.594   0.819
  164    H    LYS  19           HN       LYS  19 -16.318   4.822  -3.235
  165    HA   LYS  19           HA       LYS  19 -17.378   4.878  -0.565
  166   1HB   LYS  19           HB1      LYS  19 -19.540   5.463  -2.103
  167   2HB   LYS  19           HB2      LYS  19 -18.277   5.704  -3.305
  168   1HG   LYS  19           HG1      LYS  19 -17.085   7.132  -1.524
  169   2HG   LYS  19           HG2      LYS  19 -18.609   7.105  -0.644
  170   1HD   LYS  19           HD1      LYS  19 -19.771   8.080  -2.576
  171   2HD   LYS  19           HD2      LYS  19 -18.281   8.047  -3.512
  172   1HE   LYS  19           HE1      LYS  19 -17.248   9.486  -1.664
  173   2HE   LYS  19           HE2      LYS  19 -18.880   9.697  -1.042
  174   1HZ   LYS  19           HZ1      LYS  19 -17.739  10.626  -3.590
  175   2HZ   LYS  19           HZ2      LYS  19 -18.601  11.501  -2.418
  176   3HZ   LYS  19           HZ3      LYS  19 -19.416  10.408  -3.431
  177    H    HIS  20           HN       HIS  20 -18.037   2.956  -3.450
  178    HA   HIS  20           HA       HIS  20 -20.312   1.569  -2.517
  179   1HB   HIS  20           HB1      HIS  20 -18.031   0.572  -4.276
  180   2HB   HIS  20           HB2      HIS  20 -19.498   1.355  -4.856
  181    HD1  HIS  20           HD1      HIS  20 -21.309  -0.309  -5.333
  182    HD2  HIS  20           HD2      HIS  20 -18.533  -1.912  -2.826
  183    HE1  HIS  20           HE1      HIS  20 -22.013  -2.629  -4.975
  184    H    ILE  21           HN       ILE  21 -16.870   0.689  -2.259
  185    HA   ILE  21           HA       ILE  21 -17.377  -1.698  -0.782
  186    HB   ILE  21           HB       ILE  21 -15.159  -0.737  -1.961
  187   1HG1  ILE  21          HG11      ILE  21 -15.471  -2.616   0.371
  188   2HG1  ILE  21          HG12      ILE  21 -13.870  -2.300  -0.285
  189   1HG2  ILE  21          HG21      ILE  21 -14.547  -0.255   0.992
  190   2HG2  ILE  21          HG22      ILE  21 -15.062   1.057  -0.048
  191   3HG2  ILE  21          HG23      ILE  21 -13.579   0.201  -0.404
  192   1HD1  ILE  21           HD1      ILE  21 -16.022  -2.889  -2.263
  193   2HD1  ILE  21           HD2      ILE  21 -15.480  -4.234  -1.266
  194   3HD1  ILE  21           HD3      ILE  21 -14.329  -3.365  -2.276
  195    NH1  ARG  22           NH1      ARG  22 -17.637   7.011   2.932
  196    NH2  ARG  22           NH2      ARG  22 -15.817   7.609   4.178
  197    H    ARG  22           HN       ARG  22 -17.121   1.639   0.198
  198    HA   ARG  22           HA       ARG  22 -16.768   1.057   3.022
  199   1HB   ARG  22           HB1      ARG  22 -17.741   3.507   3.164
  200   2HB   ARG  22           HB2      ARG  22 -17.643   3.480   1.406
  201   1HG   ARG  22           HG1      ARG  22 -15.236   2.902   1.556
  202   2HG   ARG  22           HG2      ARG  22 -15.337   2.941   3.312
  203   1HD   ARG  22           HD1      ARG  22 -15.977   5.293   1.495
  204   2HD   ARG  22           HD2      ARG  22 -14.464   5.087   2.375
  205    HE   ARG  22           HE       ARG  22 -16.263   4.926   4.402
  206   1HH1  ARG  22          HH11      ARG  22 -18.164   6.295   2.475
  207   2HH1  ARG  22          HH12      ARG  22 -17.952   7.960   2.902
  208   1HH2  ARG  22          HH21      ARG  22 -14.981   7.340   4.655
  209   2HH2  ARG  22          HH22      ARG  22 -16.102   8.568   4.169
  210    H    THR  23           HN       THR  23 -19.502   1.037   0.899
  211    HA   THR  23           HA       THR  23 -21.464   1.469   2.985
  212    HB   THR  23           HB       THR  23 -21.835  -0.002   0.301
  213    HG1  THR  23           HG1      THR  23 -22.430   2.214  -0.274
  214   1HG2  THR  23          HG21      THR  23 -24.066   1.545   0.719
  215   2HG2  THR  23          HG22      THR  23 -23.660   1.218   2.399
  216   3HG2  THR  23          HG23      THR  23 -23.992  -0.113   1.299
  217    H    HIS  24           HN       HIS  24 -19.547  -1.242   2.079
  218    HA   HIS  24           HA       HIS  24 -21.408  -3.247   3.132
  219   1HB   HIS  24           HB1      HIS  24 -19.196  -4.674   3.056
  220   2HB   HIS  24           HB2      HIS  24 -18.488  -3.269   2.265
  221    HD1  HIS  24           HD1      HIS  24 -21.663  -5.234   1.730
  222    HD2  HIS  24           HD2      HIS  24 -18.676  -3.507  -0.435
  223    HE1  HIS  24           HE1      HIS  24 -22.213  -5.671  -0.638
  224    H    THR  25           HN       THR  25 -19.959  -0.861   4.687
  225    HA   THR  25           HA       THR  25 -18.914  -2.478   6.944
  226    HB   THR  25           HB       THR  25 -18.278  -0.123   7.791
  227    HG1  THR  25           HG1      THR  25 -19.972   0.341   5.724
  228   1HG2  THR  25          HG21      THR  25 -16.627  -1.291   6.296
  229   2HG2  THR  25          HG22      THR  25 -16.700   0.419   5.883
  230   3HG2  THR  25          HG23      THR  25 -17.543  -0.763   4.888
  231    H    ASP  26           HN       ASP  26 -20.143   0.541   7.745
  232    HA   ASP  26           HA       ASP  26 -22.820  -0.379   8.484
  233   1HB   ASP  26           HB1      ASP  26 -22.315   0.300  10.952
  234   2HB   ASP  26           HB2      ASP  26 -20.613   0.174  10.518
  235    H    VAL  27           HN       VAL  27 -21.537   1.613   6.875
  236    HA   VAL  27           HA       VAL  27 -22.167   4.133   8.295
  237    HB   VAL  27           HB       VAL  27 -20.057   4.012   7.031
  238   1HG1  VAL  27          HG11      VAL  27 -20.037   3.617   4.609
  239   2HG1  VAL  27          HG12      VAL  27 -21.785   3.426   4.609
  240   3HG1  VAL  27          HG13      VAL  27 -20.774   2.254   5.433
  241   1HG2  VAL  27          HG21      VAL  27 -20.278   6.153   6.310
  242   2HG2  VAL  27          HG22      VAL  27 -21.981   6.009   6.737
  243   3HG2  VAL  27          HG23      VAL  27 -21.457   5.694   5.086
  244    NH1  ARG  28           NH2      ARG  28 -26.498  -2.584   4.124
  245    NH2  ARG  28           NH1      ARG  28 -24.565  -2.604   2.908
  246    H    ARG  28           HN       ARG  28 -24.403   2.651   7.872
  247    HA   ARG  28           HA       ARG  28 -25.782   4.007   5.590
  248   1HB   ARG  28           HB1      ARG  28 -27.449   2.072   5.934
  249   2HB   ARG  28           HB2      ARG  28 -26.256   1.365   7.017
  250   1HG   ARG  28           HG1      ARG  28 -24.650   1.853   4.922
  251   2HG   ARG  28           HG2      ARG  28 -26.168   1.690   4.051
  252   1HD   ARG  28           HD1      ARG  28 -26.478  -0.464   5.526
  253   2HD   ARG  28           HD2      ARG  28 -24.732  -0.352   5.731
  254    HE   ARG  28           HE       ARG  28 -25.155  -0.107   2.979
  255   1HH1  ARG  28          HH21      ARG  28 -27.179  -2.065   4.641
  256   2HH1  ARG  28          HH22      ARG  28 -26.600  -3.573   4.016
  257   1HH2  ARG  28          HH11      ARG  28 -23.795  -2.100   2.513
  258   2HH2  ARG  28          HH12      ARG  28 -24.632  -3.593   2.779
  259    HA   PRO  29           HA       PRO  29 -27.538   5.788   9.507
  260   1HB   PRO  29           HB1      PRO  29 -27.049   8.019   9.271
  261   2HB   PRO  29           HB2      PRO  29 -28.230   8.158   7.969
  262   1HG   PRO  29           HG1      PRO  29 -25.326   8.084   7.758
  263   2HG   PRO  29           HG2      PRO  29 -26.503   8.345   6.471
  264   1HD   PRO  29           HD1      PRO  29 -26.223   6.216   5.719
  265   2HD   PRO  29           HD2      PRO  29 -24.929   6.001   6.909
  266    OH   TYR  30           OH       TYR  30 -29.864  10.834   3.261
  267    H    TYR  30           HN       TYR  30 -28.797   5.637   6.233
  268    HA   TYR  30           HA       TYR  30 -31.534   6.240   7.001
  269   1HB   TYR  30           HB1      TYR  30 -32.041   5.285   4.692
  270   2HB   TYR  30           HB2      TYR  30 -30.342   4.856   4.547
  271    HD1  TYR  30           HD1      TYR  30 -32.524   7.800   5.312
  272    HD2  TYR  30           HD2      TYR  30 -28.852   6.438   3.652
  273    HE1  TYR  30           HE1      TYR  30 -32.018  10.079   4.563
  274    HE2  TYR  30           HE2      TYR  30 -28.346   8.718   2.903
  275    HH   TYR  30           HH       TYR  30 -30.615  11.392   3.480
  276    H    HIS  31           HN       HIS  31 -32.301   4.918   8.584
  277    HA   HIS  31           HA       HIS  31 -32.205   1.960   8.090
  278   1HB   HIS  31           HB1      HIS  31 -32.678   1.781  10.549
  279   2HB   HIS  31           HB2      HIS  31 -32.731   3.537  10.661
  280    HD1  HIS  31           HD1      HIS  31 -30.301   0.884   9.819
  281    HD2  HIS  31           HD2      HIS  31 -30.293   4.758  11.011
  282    HE1  HIS  31           HE1      HIS  31 -27.968   1.396  10.247
  283    H    CYS  32           HN       CYS  32 -34.098   0.838   7.831
  284    HA   CYS  32           HA       CYS  32 -36.500   2.242   7.238
  285   1HB   CYS  32           HB1      CYS  32 -35.884  -0.640   7.964
  286   2HB   CYS  32           HB2      CYS  32 -36.325   0.005   6.405
  287    H    THR  33           HN       THR  33 -38.392   2.575   8.436
  288    HA   THR  33           HA       THR  33 -37.925   2.897  11.303
  289    HB   THR  33           HB       THR  33 -40.620   3.260   9.902
  290    HG1  THR  33           HG1      THR  33 -39.636   4.674   8.705
  291   1HG2  THR  33          HG21      THR  33 -40.879   5.034  11.539
  292   2HG2  THR  33          HG22      THR  33 -39.154   5.058  11.888
  293   3HG2  THR  33          HG23      THR  33 -40.150   3.725  12.464
  294    OH   TYR  34           OH       TYR  34 -44.592   2.552   9.247
  295    H    TYR  34           HN       TYR  34 -38.329   0.197   9.791
  296    HA   TYR  34           HA       TYR  34 -40.015  -0.979  11.948
  297   1HB   TYR  34           HB1      TYR  34 -41.172  -2.419  10.298
  298   2HB   TYR  34           HB2      TYR  34 -40.227  -1.730   8.988
  299    HD1  TYR  34           HD2      TYR  34 -40.462   0.825   8.583
  300    HD2  TYR  34           HD1      TYR  34 -43.205  -1.409  10.944
  301    HE1  TYR  34           HE2      TYR  34 -42.156   2.568   8.267
  302    HE2  TYR  34           HE1      TYR  34 -44.898   0.337  10.625
  303    HH   TYR  34           HH       TYR  34 -44.212   3.389   9.523
  304    H    CYS  35           HN       CYS  35 -38.373  -2.146   9.021
  305    HA   CYS  35           HA       CYS  35 -37.377  -4.524  10.252
  306   1HB   CYS  35           HB1      CYS  35 -35.978  -4.712   8.257
  307   2HB   CYS  35           HB2      CYS  35 -36.132  -3.013   7.928
  308    H    ASN  36           HN       ASN  36 -34.734  -4.632   9.553
  309    HA   ASN  36           HA       ASN  36 -33.445  -2.670  11.409
  310   1HB   ASN  36           HB1      ASN  36 -32.446  -5.509  10.973
  311   2HB   ASN  36           HB2      ASN  36 -33.729  -5.200  12.139
  312   1HD2  ASN  36          HD21      ASN  36 -32.353  -5.690  13.975
  313   2HD2  ASN  36          HD22      ASN  36 -31.097  -4.652  14.450
  314    H    PHE  37           HN       PHE  37 -33.767  -3.448   8.317
  315    HA   PHE  37           HA       PHE  37 -30.966  -3.563   7.495
  316   1HB   PHE  37           HB1      PHE  37 -33.245  -2.802   5.655
  317   2HB   PHE  37           HB2      PHE  37 -33.166  -4.448   6.278
  318    HD1  PHE  37           HD2      PHE  37 -30.990  -5.765   5.921
  319    HD2  PHE  37           HD1      PHE  37 -31.828  -2.125   3.876
  320    HE1  PHE  37           HE2      PHE  37 -29.287  -6.313   4.237
  321    HE2  PHE  37           HE1      PHE  37 -30.124  -2.677   2.197
  322    HZ   PHE  37           HZ       PHE  37 -28.854  -4.772   2.376
  323    H    SER  38           HN       SER  38 -30.014  -1.923   6.070
  324    HA   SER  38           HA       SER  38 -31.182   0.775   6.355
  325   1HB   SER  38           HB1      SER  38 -28.285   0.251   7.127
  326   2HB   SER  38           HB2      SER  38 -29.583   0.219   8.325
  327    HG   SER  38           HG1      SER  38 -29.602   2.309   8.235
  328    H    PHE  39           HN       PHE  39 -30.013   2.396   5.070
  329    HA   PHE  39           HA       PHE  39 -28.465   1.189   2.822
  330   1HB   PHE  39           HB1      PHE  39 -29.860   2.295   1.231
  331   2HB   PHE  39           HB2      PHE  39 -30.511   3.392   2.448
  332    HD1  PHE  39           HD2      PHE  39 -32.008   2.432   4.271
  333    HD2  PHE  39           HD1      PHE  39 -30.930   0.191   0.817
  334    HE1  PHE  39           HE2      PHE  39 -33.882   0.900   4.678
  335    HE2  PHE  39           HE1      PHE  39 -32.816  -1.329   1.219
  336    HZ   PHE  39           HZ       PHE  39 -34.293  -0.975   3.150
  337    H    LYS  40           HN       LYS  40 -27.234   2.766   1.597
  338    HA   LYS  40           HA       LYS  40 -26.061   4.788   3.385
  339   1HB   LYS  40           HB1      LYS  40 -25.367   3.723   0.604
  340   2HB   LYS  40           HB2      LYS  40 -24.550   3.352   2.107
  341   1HG   LYS  40           HG1      LYS  40 -24.590   6.071   0.742
  342   2HG   LYS  40           HG2      LYS  40 -23.226   4.968   0.820
  343   1HD   LYS  40           HD1      LYS  40 -23.492   5.095   3.378
  344   2HD   LYS  40           HD2      LYS  40 -24.502   6.502   3.084
  345   1HE   LYS  40           HE1      LYS  40 -21.578   6.120   2.456
  346   2HE   LYS  40           HE2      LYS  40 -22.347   7.429   3.345
  347   1HZ   LYS  40           HZ1      LYS  40 -22.619   6.908   0.437
  348   2HZ   LYS  40           HZ2      LYS  40 -21.694   8.142   1.149
  349   3HZ   LYS  40           HZ3      LYS  40 -23.387   8.161   1.290
  350    H    THR  41           HN       THR  41 -28.337   4.649   0.835
  351    HA   THR  41           HA       THR  41 -28.246   7.635   0.634
  352    HB   THR  41           HB       THR  41 -28.552   7.504  -1.757
  353    HG1  THR  41           HG1      THR  41 -29.556   5.020  -0.937
  354   1HG2  THR  41          HG21      THR  41 -27.060   4.882  -1.190
  355   2HG2  THR  41          HG22      THR  41 -26.280   6.442  -0.949
  356   3HG2  THR  41          HG23      THR  41 -26.816   5.964  -2.556
  357    H    LYS  42           HN       LYS  42 -30.224   8.647   0.116
  358    HA   LYS  42           HA       LYS  42 -32.465   7.449   1.471
  359   1HB   LYS  42           HB1      LYS  42 -32.469   9.927  -0.309
  360   2HB   LYS  42           HB2      LYS  42 -31.882   9.958   1.349
  361   1HG   LYS  42           HG1      LYS  42 -34.054   9.278   2.197
  362   2HG   LYS  42           HG2      LYS  42 -34.655   9.008   0.566
  363   1HD   LYS  42           HD1      LYS  42 -34.198  11.461   0.094
  364   2HD   LYS  42           HD2      LYS  42 -33.865  11.659   1.810
  365   1HE   LYS  42           HE1      LYS  42 -36.108  10.989   2.402
  366   2HE   LYS  42           HE2      LYS  42 -36.456  10.487   0.752
  367   1HZ   LYS  42           HZ1      LYS  42 -36.868  12.976   1.878
  368   2HZ   LYS  42           HZ2      LYS  42 -37.074  12.529   0.252
  369   3HZ   LYS  42           HZ3      LYS  42 -35.591  13.171   0.776
  370    H    GLY  43           HN       GLY  43 -31.328   7.567  -1.766
  371   1HA   GLY  43           HA1      GLY  43 -32.222   6.694  -3.755
  372   2HA   GLY  43           HA2      GLY  43 -33.790   7.257  -3.180
  373    H    ASN  44           HN       ASN  44 -31.445   4.741  -2.253
  374    HA   ASN  44           HA       ASN  44 -33.021   2.530  -2.926
  375   1HB   ASN  44           HB1      ASN  44 -31.653   1.373  -1.058
  376   2HB   ASN  44           HB2      ASN  44 -30.944   2.953  -0.739
  377   1HD2  ASN  44          HD21      ASN  44 -28.937   3.058  -1.726
  378   2HD2  ASN  44          HD22      ASN  44 -28.574   2.463  -3.273
  379    H    LEU  45           HN       LEU  45 -33.000   4.455   0.031
  380    HA   LEU  45           HA       LEU  45 -34.641   2.818   1.629
  381   1HB   LEU  45           HB1      LEU  45 -34.742   5.879   1.454
  382   2HB   LEU  45           HB2      LEU  45 -33.478   5.010   2.302
  383    HG   LEU  45           HG       LEU  45 -35.120   5.724   3.935
  384   1HD1  LEU  45          HD11      LEU  45 -36.987   5.718   2.030
  385   2HD1  LEU  45          HD12      LEU  45 -37.419   5.571   3.727
  386   3HD1  LEU  45          HD13      LEU  45 -37.360   4.143   2.708
  387   1HD2  LEU  45          HD21      LEU  45 -35.814   2.807   3.613
  388   2HD2  LEU  45          HD22      LEU  45 -35.422   3.708   5.069
  389   3HD2  LEU  45          HD23      LEU  45 -34.155   3.284   3.929
  390    H    THR  46           HN       THR  46 -35.644   5.495  -0.497
  391    HA   THR  46           HA       THR  46 -38.419   5.210  -0.207
  392    HB   THR  46           HB       THR  46 -36.711   5.999  -2.640
  393    HG1  THR  46           HG1      THR  46 -37.955   7.993  -1.786
  394   1HG2  THR  46          HG21      THR  46 -38.983   7.185  -3.245
  395   2HG2  THR  46          HG22      THR  46 -39.738   6.016  -2.166
  396   3HG2  THR  46          HG23      THR  46 -38.889   5.464  -3.606
  397    H    LYS  47           HN       LYS  47 -36.158   3.381  -2.176
  398    HA   LYS  47           HA       LYS  47 -38.097   1.942  -3.706
  399   1HB   LYS  47           HB1      LYS  47 -35.807   0.273  -3.101
  400   2HB   LYS  47           HB2      LYS  47 -35.246   1.925  -3.296
  401   1HG   LYS  47           HG1      LYS  47 -35.195   0.947  -5.489
  402   2HG   LYS  47           HG2      LYS  47 -36.585   2.021  -5.465
  403   1HD   LYS  47           HD1      LYS  47 -38.118   0.203  -5.249
  404   2HD   LYS  47           HD2      LYS  47 -36.847  -0.921  -4.787
  405   1HE   LYS  47           HE1      LYS  47 -37.614  -1.178  -7.175
  406   2HE   LYS  47           HE2      LYS  47 -35.892  -0.861  -7.012
  407   1HZ   LYS  47           HZ1      LYS  47 -37.181   1.599  -7.152
  408   2HZ   LYS  47           HZ2      LYS  47 -37.823   0.632  -8.393
  409   3HZ   LYS  47           HZ3      LYS  47 -36.147   0.893  -8.299
  410    H    HIS  48           HN       HIS  48 -36.607   1.296  -0.561
  411    HA   HIS  48           HA       HIS  48 -37.798  -1.296  -0.220
  412   1HB   HIS  48           HB1      HIS  48 -36.840   0.781   1.817
  413   2HB   HIS  48           HB2      HIS  48 -35.914  -0.584   1.200
  414    HD1  HIS  48           HD1      HIS  48 -37.803  -2.825   1.549
  415    HD2  HIS  48           HD2      HIS  48 -37.540   0.092   4.401
  416    HE1  HIS  48           HE1      HIS  48 -38.658  -3.844   3.601
  417    H    MET  49           HN       MET  49 -38.800   1.958   0.776
  418    HA   MET  49           HA       MET  49 -41.157   1.096   2.167
  419   1HB   MET  49           HB1      MET  49 -41.873   3.567   1.567
  420   2HB   MET  49           HB2      MET  49 -40.252   3.704   0.894
  421   1HG   MET  49           HG1      MET  49 -39.328   2.921   3.064
  422   2HG   MET  49           HG2      MET  49 -40.941   2.881   3.721
  423   1HE   MET  49           HE1      MET  49 -39.454   4.053   5.651
  424   2HE   MET  49           HE2      MET  49 -41.196   4.330   5.589
  425   3HE   MET  49           HE3      MET  49 -40.100   5.672   5.922
  426    H    LYS  50           HN       LYS  50 -40.462   1.770  -1.194
  427    HA   LYS  50           HA       LYS  50 -42.975   2.133  -2.307
  428   1HB   LYS  50           HB1      LYS  50 -41.120   0.075  -3.533
  429   2HB   LYS  50           HB2      LYS  50 -40.561   1.736  -3.386
  430   1HG   LYS  50           HG1      LYS  50 -41.625   1.423  -5.573
  431   2HG   LYS  50           HG2      LYS  50 -42.603   2.507  -4.593
  432   1HD   LYS  50           HD1      LYS  50 -44.250   0.878  -4.202
  433   2HD   LYS  50           HD2      LYS  50 -43.154  -0.455  -4.551
  434   1HE   LYS  50           HE1      LYS  50 -44.837   0.000  -6.382
  435   2HE   LYS  50           HE2      LYS  50 -43.163   0.070  -6.916
  436   1HZ   LYS  50           HZ1      LYS  50 -43.695   2.053  -7.716
  437   2HZ   LYS  50           HZ2      LYS  50 -43.672   2.606  -6.110
  438   3HZ   LYS  50           HZ3      LYS  50 -45.139   2.139  -6.827
  439    H    SER  51           HN       SER  51 -41.454  -1.041  -1.736
  440    HA   SER  51           HA       SER  51 -43.595  -2.673  -2.467
  441   1HB   SER  51           HB1      SER  51 -41.719  -3.055  -0.065
  442   2HB   SER  51           HB2      SER  51 -41.369  -3.559  -1.730
  443    HG   SER  51           HG1      SER  51 -42.463  -5.110  -0.180
  444    H    LYS  52           HN       LYS  52 -45.369  -3.545  -1.385
  445    HA   LYS  52           HA       LYS  52 -46.535  -1.740   0.609
  446   1HB   LYS  52           HB1      LYS  52 -48.108  -2.544  -1.006
  447   2HB   LYS  52           HB2      LYS  52 -48.457  -3.522   0.412
  448   1HG   LYS  52           HG1      LYS  52 -48.196  -5.295  -0.999
  449   2HG   LYS  52           HG2      LYS  52 -46.473  -4.998  -0.802
  450   1HD   LYS  52           HD1      LYS  52 -46.522  -3.480  -2.773
  451   2HD   LYS  52           HD2      LYS  52 -48.240  -3.807  -2.973
  452   1HE   LYS  52           HE1      LYS  52 -46.428  -6.174  -2.816
  453   2HE   LYS  52           HE2      LYS  52 -46.354  -5.211  -4.285
  454   1HZ   LYS  52           HZ1      LYS  52 -48.643  -6.680  -3.156
  455   2HZ   LYS  52           HZ2      LYS  52 -47.992  -6.754  -4.723
  456   3HZ   LYS  52           HZ3      LYS  52 -48.887  -5.395  -4.239
  457    H    ALA  53           HN       ALA  53 -44.231  -3.082   1.527
  458    HA   ALA  53           HA       ALA  53 -44.978  -5.373   3.138
  459   1HB   ALA  53           HB1      ALA  53 -42.634  -5.087   2.542
  460   2HB   ALA  53           HB2      ALA  53 -42.734  -4.823   4.281
  461   3HB   ALA  53           HB3      ALA  53 -42.608  -3.449   3.188
  462    H    HIS  54           HN       HIS  54 -43.881  -2.152   4.215
  463    HA   HIS  54           HA       HIS  54 -46.130  -1.961   6.057
  464   1HB   HIS  54           HB1      HIS  54 -44.846  -3.292   7.520
  465   2HB   HIS  54           HB2      HIS  54 -44.349  -1.676   8.000
  466    HD1  HIS  54           HD1      HIS  54 -43.036  -4.720   6.521
  467    HD2  HIS  54           HD2      HIS  54 -41.713  -0.882   7.000
  468    HE1  HIS  54           HE1      HIS  54 -40.608  -4.812   6.191
  469    H    SER  55           HN       SER  55 -46.564   0.006   5.138
  470    HA   SER  55           HA       SER  55 -44.705   2.187   5.944
  471   1HB   SER  55           HB1      SER  55 -44.851   3.224   3.720
  472   2HB   SER  55           HB2      SER  55 -46.042   2.020   3.188
  473    HG   SER  55           HG1      SER  55 -44.385   0.431   3.806
  474    H    LYS  56           HN       LYS  56 -46.830   1.693   7.434
  475    HA   LYS  56           HA       LYS  56 -49.278   2.929   6.567
  476   1HB   LYS  56           HB1      LYS  56 -49.756   2.983   9.073
  477   2HB   LYS  56           HB2      LYS  56 -48.110   2.422   9.346
  478   1HG   LYS  56           HG1      LYS  56 -48.561   0.396   8.024
  479   2HG   LYS  56           HG2      LYS  56 -50.192   0.965   7.682
  480   1HD   LYS  56           HD1      LYS  56 -50.938   0.545   9.833
  481   2HD   LYS  56           HD2      LYS  56 -49.355   0.828  10.549
  482   1HE   LYS  56           HE1      LYS  56 -49.991  -1.570   8.803
  483   2HE   LYS  56           HE2      LYS  56 -50.096  -1.599  10.559
  484   1HZ   LYS  56           HZ1      LYS  56 -47.973  -2.226  10.413
  485   2HZ   LYS  56           HZ2      LYS  56 -47.660  -0.571  10.195
  486   3HZ   LYS  56           HZ3      LYS  56 -47.770  -1.599   8.847
  487    H    LYS  57           HN       LYS  57 -47.972   4.225   9.488
  488    HA   LYS  57           HA       LYS  57 -48.619   6.885   8.879
  489   1HB   LYS  57           HB1      LYS  57 -46.331   5.980  10.685
  490   2HB   LYS  57           HB2      LYS  57 -48.022   5.911  11.166
  491   1HG   LYS  57           HG1      LYS  57 -48.238   8.337  10.855
  492   2HG   LYS  57           HG2      LYS  57 -46.577   8.432  10.282
  493   1HD   LYS  57           HD1      LYS  57 -47.054   7.144  12.939
  494   2HD   LYS  57           HD2      LYS  57 -47.197   8.895  12.845
  495   1HE   LYS  57           HE1      LYS  57 -44.819   7.518  11.614
  496   2HE   LYS  57           HE2      LYS  57 -44.848   7.832  13.344
  497   1HZ   LYS  57           HZ1      LYS  57 -45.664  10.174  12.183
  498   2HZ   LYS  57           HZ2      LYS  57 -44.392   9.633  11.196
  499   3HZ   LYS  57                 LYS  57 -44.141   9.853  12.861
   
  Start of MODEL          48
 Raw file had 499 H/Q atoms
  Start of MODEL   48
    1   1H    LYS   1           HT1      LYS   1 -10.398  -5.158 -12.750
    2   2H    LYS   1           HT2      LYS   1 -10.375  -3.840 -11.680
    3   3H    LYS   1           HT3      LYS   1 -11.820  -4.276 -12.460
    4    HA   LYS   1           HA       LYS   1 -11.826  -6.399 -11.300
    5   1HB   LYS   1           HB1      LYS   1  -9.470  -6.715 -10.822
    6   2HB   LYS   1           HB2      LYS   1 -10.236  -6.458  -9.259
    7   1HG   LYS   1           HG1      LYS   1  -9.650  -4.017  -9.444
    8   2HG   LYS   1           HG2      LYS   1  -8.757  -4.387 -10.914
    9   1HD   LYS   1           HD1      LYS   1  -7.407  -6.056  -9.580
   10   2HD   LYS   1           HD2      LYS   1  -8.211  -5.465  -8.130
   11   1HE   LYS   1           HE1      LYS   1  -7.432  -3.116  -8.875
   12   2HE   LYS   1           HE2      LYS   1  -6.359  -3.958  -9.985
   13   1HZ   LYS   1           HZ1      LYS   1  -6.264  -3.781  -7.084
   14   2HZ   LYS   1           HZ2      LYS   1  -4.999  -3.853  -8.214
   15   3HZ   LYS   1           HZ3      LYS   1  -5.819  -5.271  -7.767
   16    OH   TYR   2           OH       TYR   2  -8.383   0.417  -9.483
   17    H    TYR   2           HN       TYR   2 -12.781  -3.556 -11.300
   18    HA   TYR   2           HA       TYR   2 -13.361  -3.162  -8.413
   19   1HB   TYR   2           HB1      TYR   2 -14.339  -0.995  -9.199
   20   2HB   TYR   2           HB2      TYR   2 -14.047  -1.473 -10.869
   21    HD1  TYR   2           HD2      TYR   2 -12.342  -0.769  -7.639
   22    HD2  TYR   2           HD1      TYR   2 -11.890  -1.194 -11.847
   23    HE1  TYR   2           HE2      TYR   2 -10.051   0.090  -7.479
   24    HE2  TYR   2           HE1      TYR   2  -9.599  -0.339 -11.687
   25    HH   TYR   2           HH       TYR   2  -7.780  -0.322  -9.590
   26    H    ILE   3           HN       ILE   3 -14.550  -5.414  -9.203
   27    HA   ILE   3           HA       ILE   3 -17.394  -4.671  -9.752
   28    HB   ILE   3           HB       ILE   3 -16.138  -7.441  -9.918
   29   1HG1  ILE   3          HG11      ILE   3 -15.891  -5.128 -11.731
   30   2HG1  ILE   3          HG12      ILE   3 -16.467  -6.593 -12.518
   31   1HG2  ILE   3          HG21      ILE   3 -18.651  -7.223  -9.839
   32   2HG2  ILE   3          HG22      ILE   3 -18.105  -7.849 -11.391
   33   3HG2  ILE   3          HG23      ILE   3 -18.588  -6.162 -11.242
   34   1HD1  ILE   3           HD1      ILE   3 -14.073  -6.594 -10.665
   35   2HD1  ILE   3           HD2      ILE   3 -13.919  -6.306 -12.396
   36   3HD1  ILE   3           HD3      ILE   3 -14.552  -7.841 -11.812
   37    H    CYS   4           HN       CYS   4 -18.379  -4.393  -7.789
   38    HA   CYS   4           HA       CYS   4 -17.635  -5.551  -5.364
   39   1HB   CYS   4           HB1      CYS   4 -20.283  -4.660  -6.463
   40   2HB   CYS   4           HB2      CYS   4 -19.315  -3.907  -5.232
   41    H    GLU   5           HN       GLU   5 -17.655  -7.515  -4.585
   42    HA   GLU   5           HA       GLU   5 -18.442  -9.764  -6.149
   43   1HB   GLU   5           HB1      GLU   5 -17.952 -11.044  -4.025
   44   2HB   GLU   5           HB2      GLU   5 -17.805  -9.510  -3.177
   45   1HG   GLU   5           HG1      GLU   5 -16.154  -9.100  -5.337
   46   2HG   GLU   5           HG2      GLU   5 -15.916 -10.819  -5.033
   47    H    GLU   6           HN       GLU   6 -20.262  -7.743  -4.071
   48    HA   GLU   6           HA       GLU   6 -22.279  -9.831  -3.613
   49   1HB   GLU   6           HB1      GLU   6 -22.391  -6.928  -2.719
   50   2HB   GLU   6           HB2      GLU   6 -21.521  -8.156  -1.808
   51   1HG   GLU   6           HG1      GLU   6 -23.613  -9.498  -1.657
   52   2HG   GLU   6           HG2      GLU   6 -24.473  -8.225  -2.518
   53    H    CYS   7           HN       CYS   7 -22.638  -6.400  -4.440
   54    HA   CYS   7           HA       CYS   7 -25.079  -6.933  -5.893
   55   1HB   CYS   7           HB1      CYS   7 -25.195  -4.611  -6.212
   56   2HB   CYS   7           HB2      CYS   7 -23.466  -4.430  -6.273
   57    H    GLY   8           HN       GLY   8 -21.738  -6.227  -6.845
   58   1HA   GLY   8           HA1      GLY   8 -22.406  -7.234  -9.562
   59   2HA   GLY   8           HA2      GLY   8 -20.786  -7.103  -8.893
   60    H    ILE   9           HN       ILE   9 -21.824  -4.319  -7.891
   61    HA   ILE   9           HA       ILE   9 -22.318  -2.686 -10.130
   62    HB   ILE   9           HB       ILE   9 -22.315  -2.127  -7.558
   63   1HG1  ILE   9          HG11      ILE   9 -22.897  -0.543  -9.396
   64   2HG1  ILE   9          HG12      ILE   9 -21.200  -0.104  -9.537
   65   1HG2  ILE   9          HG21      ILE   9 -20.265  -1.223  -6.674
   66   2HG2  ILE   9          HG22      ILE   9 -19.525  -1.095  -8.259
   67   3HG2  ILE   9          HG23      ILE   9 -19.743  -2.668  -7.510
   68   1HD1  ILE   9           HD1      ILE   9 -22.643   1.428  -8.073
   69   2HD1  ILE   9           HD2      ILE   9 -21.163   0.831  -7.331
   70   3HD1  ILE   9           HD3      ILE   9 -22.711   0.100  -6.920
   71    NH1  ARG  10           NH1      ARG  10 -18.626  -3.553 -18.404
   72    NH2  ARG  10           NH2      ARG  10 -20.764  -2.995 -17.822
   73    H    ARG  10           HN       ARG  10 -21.045  -1.726 -11.647
   74    HA   ARG  10           HA       ARG  10 -18.172  -2.555 -11.643
   75   1HB   ARG  10           HB1      ARG  10 -19.813  -1.576 -14.017
   76   2HB   ARG  10           HB2      ARG  10 -19.784  -3.267 -13.539
   77   1HG   ARG  10           HG1      ARG  10 -17.204  -3.075 -13.669
   78   2HG   ARG  10           HG2      ARG  10 -17.482  -1.563 -14.523
   79   1HD   ARG  10           HD1      ARG  10 -18.651  -4.244 -15.343
   80   2HD   ARG  10           HD2      ARG  10 -17.229  -3.506 -16.076
   81    HE   ARG  10           HE       ARG  10 -19.288  -1.583 -16.216
   82   1HH1  ARG  10          HH11      ARG  10 -17.651  -3.554 -18.183
   83   2HH1  ARG  10          HH12      ARG  10 -18.945  -3.958 -19.261
   84   1HH2  ARG  10          HH21      ARG  10 -21.391  -2.578 -17.163
   85   2HH2  ARG  10          HH22      ARG  10 -21.119  -3.391 -18.669
   86    H    ABA  11           HN       ABU  11 -16.898  -0.986 -10.947
   87    HA   ABA  11           HA       ABU  11 -17.309   1.762 -12.060
   88   1HB   ABA  11           HB1      ABU  11 -16.672   2.692  -9.875
   89   2HB   ABA  11           HB2      ABU  11 -16.400   1.092  -9.227
   90   1HG   ABA  11           HG1      ABU  11 -19.043   2.309 -10.061
   91   2HG   ABA  11           HG2      ABU  11 -18.571   1.775  -8.451
   92   3HG   ABA  11           HG3      ABU  11 -18.850   0.593  -9.725
   93    H    LYS  12           HN       LYS  12 -15.669   1.625 -13.522
   94    HA   LYS  12           HA       LYS  12 -13.175   0.401 -13.220
   95   1HB   LYS  12           HB1      LYS  12 -12.504   2.448 -14.837
   96   2HB   LYS  12           HB2      LYS  12 -14.248   2.676 -14.864
   97   1HG   LYS  12           HG1      LYS  12 -12.813   0.080 -15.511
   98   2HG   LYS  12           HG2      LYS  12 -13.509   1.178 -16.696
   99   1HD   LYS  12           HD1      LYS  12 -15.736   0.892 -15.544
  100   2HD   LYS  12           HD2      LYS  12 -14.998  -0.348 -14.536
  101   1HE   LYS  12           HE1      LYS  12 -16.180  -1.285 -16.544
  102   2HE   LYS  12           HE2      LYS  12 -14.471  -1.698 -16.493
  103   1HZ   LYS  12           HZ1      LYS  12 -15.145   0.763 -17.875
  104   2HZ   LYS  12           HZ2      LYS  12 -15.665  -0.672 -18.621
  105   3HZ   LYS  12           HZ3      LYS  12 -14.018  -0.443 -18.278
  106    H    LYS  13           HN       LYS  13 -14.313   3.133 -11.528
  107    HA   LYS  13           HA       LYS  13 -11.535   4.038 -10.993
  108   1HB   LYS  13           HB1      LYS  13 -12.812   5.989  -9.849
  109   2HB   LYS  13           HB2      LYS  13 -14.255   5.308 -10.588
  110   1HG   LYS  13           HG1      LYS  13 -13.172   5.468 -12.819
  111   2HG   LYS  13           HG2      LYS  13 -11.753   6.187 -12.067
  112   1HD   LYS  13           HD1      LYS  13 -12.885   8.123 -12.640
  113   2HD   LYS  13           HD2      LYS  13 -13.591   7.847 -11.052
  114   1HE   LYS  13           HE1      LYS  13 -15.513   8.110 -12.346
  115   2HE   LYS  13           HE2      LYS  13 -15.310   6.364 -12.407
  116   1HZ   LYS  13           HZ1      LYS  13 -13.904   7.885 -14.442
  117   2HZ   LYS  13           HZ2      LYS  13 -15.599   7.877 -14.558
  118   3HZ   LYS  13           HZ3      LYS  13 -14.741   6.411 -14.564
  119    HA   PRO  14           HA       PRO  14 -11.624   2.206  -6.936
  120   1HB   PRO  14           HB1      PRO  14  -9.442   2.719  -6.372
  121   2HB   PRO  14           HB2      PRO  14 -10.052   4.192  -5.616
  122   1HG   PRO  14           HG1      PRO  14  -8.371   4.080  -7.885
  123   2HG   PRO  14           HG2      PRO  14  -9.260   5.501  -7.333
  124   1HD   PRO  14           HD1      PRO  14 -10.486   5.365  -9.268
  125   2HD   PRO  14           HD2      PRO  14  -9.779   3.782  -9.645
  126    H    SER  15           HN       SER  15 -11.354   5.701  -6.322
  127    HA   SER  15           HA       SER  15 -12.782   6.056  -4.054
  128   1HB   SER  15           HB1      SER  15 -12.012   8.037  -5.222
  129   2HB   SER  15           HB2      SER  15 -13.779   8.196  -5.235
  130    HG   SER  15           HG1      SER  15 -12.128   7.072  -7.255
  131    H    MET  16           HN       MET  16 -14.280   5.438  -7.202
  132    HA   MET  16           HA       MET  16 -16.975   5.687  -6.203
  133   1HB   MET  16           HB1      MET  16 -17.436   4.265  -8.355
  134   2HB   MET  16           HB2      MET  16 -15.708   4.421  -8.658
  135   1HG   MET  16           HG1      MET  16 -16.891   6.203  -9.803
  136   2HG   MET  16           HG2      MET  16 -15.904   6.865  -8.528
  137   1HE   MET  16           HE1      MET  16 -18.395   8.454 -10.138
  138   2HE   MET  16           HE2      MET  16 -16.971   8.924  -9.207
  139   3HE   MET  16           HE3      MET  16 -18.570   9.486  -8.718
  140    H    LEU  17           HN       LEU  17 -14.984   2.824  -7.031
  141    HA   LEU  17           HA       LEU  17 -16.895   0.984  -5.928
  142   1HB   LEU  17           HB1      LEU  17 -13.909   0.459  -6.101
  143   2HB   LEU  17           HB2      LEU  17 -14.865   0.568  -7.561
  144    HG   LEU  17           HG       LEU  17 -14.582  -1.795  -6.754
  145   1HD1  LEU  17          HD11      LEU  17 -15.524  -2.558  -4.715
  146   2HD1  LEU  17          HD12      LEU  17 -16.407  -1.064  -4.455
  147   3HD1  LEU  17          HD13      LEU  17 -14.657  -1.088  -4.292
  148   1HD2  LEU  17          HD21      LEU  17 -16.735  -0.807  -7.944
  149   2HD2  LEU  17          HD22      LEU  17 -17.512  -1.190  -6.420
  150   3HD2  LEU  17          HD23      LEU  17 -16.729  -2.458  -7.350
  151    H    LYS  18           HN       LYS  18 -13.706   2.026  -4.775
  152    HA   LYS  18           HA       LYS  18 -13.448   0.951  -2.317
  153   1HB   LYS  18           HB1      LYS  18 -13.112   3.881  -3.097
  154   2HB   LYS  18           HB2      LYS  18 -11.866   2.638  -3.075
  155   1HG   LYS  18           HG1      LYS  18 -12.690   2.499  -0.496
  156   2HG   LYS  18           HG2      LYS  18 -13.030   4.195  -0.823
  157   1HD   LYS  18           HD1      LYS  18 -10.371   2.793  -1.266
  158   2HD   LYS  18           HD2      LYS  18 -10.730   3.942   0.018
  159   1HE   LYS  18           HE1      LYS  18  -9.895   5.473  -1.461
  160   2HE   LYS  18           HE2      LYS  18 -11.503   5.380  -2.167
  161   1HZ   LYS  18           HZ1      LYS  18  -9.395   5.025  -3.618
  162   2HZ   LYS  18           HZ2      LYS  18 -10.786   4.087  -3.880
  163   3HZ   LYS  18           HZ3      LYS  18  -9.477   3.440  -3.012
  164    H    LYS  19           HN       LYS  19 -15.508   3.795  -2.927
  165    HA   LYS  19           HA       LYS  19 -16.495   3.824  -0.222
  166   1HB   LYS  19           HB1      LYS  19 -18.236   5.415  -1.278
  167   2HB   LYS  19           HB2      LYS  19 -17.414   5.147  -2.811
  168   1HG   LYS  19           HG1      LYS  19 -15.350   6.066  -1.956
  169   2HG   LYS  19           HG2      LYS  19 -15.981   6.103  -0.312
  170   1HD   LYS  19           HD1      LYS  19 -17.752   7.712  -1.095
  171   2HD   LYS  19           HD2      LYS  19 -16.954   7.758  -2.663
  172   1HE   LYS  19           HE1      LYS  19 -16.158   9.640  -1.336
  173   2HE   LYS  19           HE2      LYS  19 -14.845   8.484  -1.511
  174   1HZ   LYS  19           HZ1      LYS  19 -14.757   8.205   0.664
  175   2HZ   LYS  19           HZ2      LYS  19 -16.424   7.895   0.772
  176   3HZ   LYS  19           HZ3      LYS  19 -15.852   9.493   0.832
  177    H    HIS  20           HN       HIS  20 -17.679   2.553  -3.300
  178    HA   HIS  20           HA       HIS  20 -20.296   1.864  -2.495
  179   1HB   HIS  20           HB1      HIS  20 -18.385   0.372  -4.339
  180   2HB   HIS  20           HB2      HIS  20 -19.560   1.582  -4.846
  181    HD1  HIS  20           HD1      HIS  20 -21.783   0.559  -5.387
  182    HD2  HIS  20           HD2      HIS  20 -19.556  -1.990  -3.131
  183    HE1  HIS  20           HE1      HIS  20 -23.107  -1.496  -5.226
  184    H    ILE  21           HN       ILE  21 -17.305  -0.053  -2.329
  185    HA   ILE  21           HA       ILE  21 -18.566  -2.265  -1.043
  186    HB   ILE  21           HB       ILE  21 -16.393  -2.545  -2.124
  187   1HG1  ILE  21          HG11      ILE  21 -16.974  -3.467   0.477
  188   2HG1  ILE  21          HG12      ILE  21 -15.294  -2.957   0.533
  189   1HG2  ILE  21          HG21      ILE  21 -15.449  -0.539  -0.014
  190   2HG2  ILE  21          HG22      ILE  21 -15.450  -0.315  -1.759
  191   3HG2  ILE  21          HG23      ILE  21 -14.355  -1.476  -1.023
  192   1HD1  ILE  21           HD1      ILE  21 -16.557  -4.875  -1.449
  193   2HD1  ILE  21           HD2      ILE  21 -15.391  -5.277  -0.192
  194   3HD1  ILE  21           HD3      ILE  21 -14.901  -4.288  -1.564
  195    NH1  ARG  22           NH2      ARG  22 -15.743   2.980   5.267
  196    NH2  ARG  22           NH1      ARG  22 -14.048   4.413   5.810
  197    H    ARG  22           HN       ARG  22 -17.202   0.719   0.215
  198    HA   ARG  22           HA       ARG  22 -17.100  -0.135   2.955
  199   1HB   ARG  22           HB1      ARG  22 -17.436   2.459   3.325
  200   2HB   ARG  22           HB2      ARG  22 -17.331   2.560   1.573
  201   1HG   ARG  22           HG1      ARG  22 -15.149   1.367   1.650
  202   2HG   ARG  22           HG2      ARG  22 -15.253   1.315   3.405
  203   1HD   ARG  22           HD1      ARG  22 -15.726   4.013   2.663
  204   2HD   ARG  22           HD2      ARG  22 -14.336   3.476   1.721
  205    HE   ARG  22           HE       ARG  22 -13.102   3.279   3.741
  206   1HH1  ARG  22          HH21      ARG  22 -16.157   2.357   4.603
  207   2HH1  ARG  22          HH22      ARG  22 -16.182   3.132   6.152
  208   1HH2  ARG  22          HH11      ARG  22 -13.193   4.864   5.555
  209   2HH2  ARG  22          HH12      ARG  22 -14.459   4.589   6.705
  210    H    THR  23           HN       THR  23 -19.734   0.764   0.889
  211    HA   THR  23           HA       THR  23 -21.585   1.502   2.971
  212    HB   THR  23           HB       THR  23 -22.052   0.331   0.163
  213    HG1  THR  23           HG1      THR  23 -21.855   2.861   1.408
  214   1HG2  THR  23          HG21      THR  23 -24.200   0.082   1.198
  215   2HG2  THR  23          HG22      THR  23 -24.276   1.755   0.656
  216   3HG2  THR  23          HG23      THR  23 -23.897   1.387   2.338
  217    H    HIS  24           HN       HIS  24 -20.600  -1.608   1.653
  218    HA   HIS  24           HA       HIS  24 -22.778  -3.101   2.835
  219   1HB   HIS  24           HB1      HIS  24 -21.102  -5.064   2.511
  220   2HB   HIS  24           HB2      HIS  24 -19.985  -3.869   1.855
  221    HD1  HIS  24           HD1      HIS  24 -23.613  -4.677   1.169
  222    HD2  HIS  24           HD2      HIS  24 -20.185  -3.813  -0.853
  223    HE1  HIS  24           HE1      HIS  24 -24.224  -4.698  -1.230
  224    H    THR  25           HN       THR  25 -20.885  -1.227   4.495
  225    HA   THR  25           HA       THR  25 -20.031  -3.188   6.552
  226    HB   THR  25           HB       THR  25 -18.973  -1.079   7.563
  227    HG1  THR  25           HG1      THR  25 -20.645  -0.125   5.617
  228   1HG2  THR  25          HG21      THR  25 -18.528  -1.584   4.577
  229   2HG2  THR  25          HG22      THR  25 -17.552  -2.235   5.891
  230   3HG2  THR  25          HG23      THR  25 -17.501  -0.512   5.526
  231    H    ASP  26           HN       ASP  26 -20.701  -0.108   7.709
  232    HA   ASP  26           HA       ASP  26 -23.442  -0.744   8.557
  233   1HB   ASP  26           HB1      ASP  26 -22.937  -0.621  10.935
  234   2HB   ASP  26           HB2      ASP  26 -21.290  -0.083  10.619
  235    H    VAL  27           HN       VAL  27 -22.025   1.186   6.932
  236    HA   VAL  27           HA       VAL  27 -22.453   3.704   8.454
  237    HB   VAL  27           HB       VAL  27 -20.303   3.422   7.258
  238   1HG1  VAL  27          HG11      VAL  27 -21.966   3.213   4.730
  239   2HG1  VAL  27          HG12      VAL  27 -21.205   1.853   5.527
  240   3HG1  VAL  27          HG13      VAL  27 -20.212   3.128   4.842
  241   1HG2  VAL  27          HG21      VAL  27 -22.044   5.611   7.013
  242   2HG2  VAL  27          HG22      VAL  27 -21.402   5.369   5.390
  243   3HG2  VAL  27          HG23      VAL  27 -20.305   5.626   6.741
  244    NH1  ARG  28           NH2      ARG  28 -26.523  -2.012   2.344
  245    NH2  ARG  28           NH1      ARG  28 -25.004  -2.883   3.812
  246    H    ARG  28           HN       ARG  28 -24.736   2.341   7.825
  247    HA   ARG  28           HA       ARG  28 -25.930   3.920   5.586
  248   1HB   ARG  28           HB1      ARG  28 -27.677   2.017   5.674
  249   2HB   ARG  28           HB2      ARG  28 -26.559   1.183   6.744
  250   1HG   ARG  28           HG1      ARG  28 -24.902   1.934   4.681
  251   2HG   ARG  28           HG2      ARG  28 -26.401   1.591   3.833
  252   1HD   ARG  28           HD1      ARG  28 -26.481  -0.591   5.229
  253   2HD   ARG  28           HD2      ARG  28 -24.785  -0.267   5.589
  254    HE   ARG  28           HE       ARG  28 -24.664  -0.126   2.933
  255   1HH1  ARG  28          HH21      ARG  28 -26.940  -1.208   1.920
  256   2HH1  ARG  28          HH22      ARG  28 -26.827  -2.928   2.084
  257   1HH2  ARG  28          HH11      ARG  28 -24.284  -2.731   4.491
  258   2HH2  ARG  28          HH12      ARG  28 -25.283  -3.814   3.579
  259    HA   PRO  29           HA       PRO  29 -27.825   5.417   9.546
  260   1HB   PRO  29           HB1      PRO  29 -27.309   7.653   9.514
  261   2HB   PRO  29           HB2      PRO  29 -28.398   7.912   8.150
  262   1HG   PRO  29           HG1      PRO  29 -25.479   7.764   8.133
  263   2HG   PRO  29           HG2      PRO  29 -26.560   8.187   6.803
  264   1HD   PRO  29           HD1      PRO  29 -26.323   6.121   5.879
  265   2HD   PRO  29           HD2      PRO  29 -25.094   5.757   7.101
  266    OH   TYR  30           OH       TYR  30 -29.834  10.836   3.126
  267    H    TYR  30           HN       TYR  30 -28.959   5.735   6.203
  268    HA   TYR  30           HA       TYR  30 -31.697   6.295   6.847
  269   1HB   TYR  30           HB1      TYR  30 -32.128   5.324   4.517
  270   2HB   TYR  30           HB2      TYR  30 -30.430   4.876   4.450
  271    HD1  TYR  30           HD1      TYR  30 -32.585   7.861   5.145
  272    HD2  TYR  30           HD2      TYR  30 -28.907   6.427   3.557
  273    HE1  TYR  30           HE1      TYR  30 -32.026  10.125   4.389
  274    HE2  TYR  30           HE2      TYR  30 -28.349   8.691   2.805
  275    HH   TYR  30           HH       TYR  30 -29.678  10.805   2.179
  276    H    HIS  31           HN       HIS  31 -31.907   4.834   8.703
  277    HA   HIS  31           HA       HIS  31 -32.133   1.952   8.065
  278   1HB   HIS  31           HB1      HIS  31 -32.896   2.055  10.637
  279   2HB   HIS  31           HB2      HIS  31 -32.165   3.654  10.570
  280    HD1  HIS  31           HD1      HIS  31 -31.266   0.161  10.656
  281    HD2  HIS  31           HD2      HIS  31 -29.343   3.667   9.964
  282    HE1  HIS  31           HE1      HIS  31 -28.905  -0.379  10.823
  283    H    CYS  32           HN       CYS  32 -34.046   0.859   7.903
  284    HA   CYS  32           HA       CYS  32 -36.429   2.307   7.306
  285   1HB   CYS  32           HB1      CYS  32 -35.788  -0.575   7.968
  286   2HB   CYS  32           HB2      CYS  32 -36.275   0.098   6.434
  287    H    THR  33           HN       THR  33 -38.302   2.660   8.514
  288    HA   THR  33           HA       THR  33 -37.848   2.923  11.388
  289    HB   THR  33           HB       THR  33 -40.280   3.505   9.598
  290    HG1  THR  33           HG1      THR  33 -38.687   4.954   9.290
  291   1HG2  THR  33          HG21      THR  33 -39.825   3.675  12.590
  292   2HG2  THR  33          HG22      THR  33 -41.341   3.429  11.729
  293   3HG2  THR  33          HG23      THR  33 -40.632   5.039  11.822
  294    OH   TYR  34           OH       TYR  34 -44.438   2.720   9.160
  295    H    TYR  34           HN       TYR  34 -38.268   0.242   9.847
  296    HA   TYR  34           HA       TYR  34 -39.995  -0.927  11.972
  297   1HB   TYR  34           HB1      TYR  34 -41.162  -2.330  10.307
  298   2HB   TYR  34           HB2      TYR  34 -40.176  -1.675   9.010
  299    HD1  TYR  34           HD2      TYR  34 -40.333   0.904   8.611
  300    HD2  TYR  34           HD1      TYR  34 -43.190  -1.272  10.890
  301    HE1  TYR  34           HE2      TYR  34 -41.980   2.678   8.238
  302    HE2  TYR  34           HE1      TYR  34 -44.832   0.512  10.521
  303    HH   TYR  34           HH       TYR  34 -44.157   3.232   8.397
  304    H    CYS  35           HN       CYS  35 -38.334  -2.130   9.066
  305    HA   CYS  35           HA       CYS  35 -37.369  -4.496  10.374
  306   1HB   CYS  35           HB1      CYS  35 -36.064  -4.831   8.365
  307   2HB   CYS  35           HB2      CYS  35 -36.082  -3.133   7.989
  308    H    ASN  36           HN       ASN  36 -34.720  -4.584   9.531
  309    HA   ASN  36           HA       ASN  36 -33.401  -2.632  11.373
  310   1HB   ASN  36           HB1      ASN  36 -32.739  -5.579  10.866
  311   2HB   ASN  36           HB2      ASN  36 -33.455  -4.933  12.341
  312   1HD2  ASN  36          HD21      ASN  36 -31.691  -2.443  12.039
  313   2HD2  ASN  36          HD22      ASN  36 -30.166  -2.941  12.590
  314    H    PHE  37           HN       PHE  37 -33.793  -3.450   8.261
  315    HA   PHE  37           HA       PHE  37 -31.005  -3.391   7.403
  316   1HB   PHE  37           HB1      PHE  37 -33.265  -2.811   5.506
  317   2HB   PHE  37           HB2      PHE  37 -33.241  -4.407   6.261
  318    HD1  PHE  37           HD2      PHE  37 -30.771  -5.506   6.320
  319    HD2  PHE  37           HD1      PHE  37 -32.078  -2.584   3.513
  320    HE1  PHE  37           HE2      PHE  37 -28.993  -6.193   4.774
  321    HE2  PHE  37           HE1      PHE  37 -30.297  -3.276   1.967
  322    HZ   PHE  37           HZ       PHE  37 -28.754  -5.080   2.598
  323    H    SER  38           HN       SER  38 -30.225  -1.746   5.905
  324    HA   SER  38           HA       SER  38 -31.577   0.861   6.023
  325   1HB   SER  38           HB1      SER  38 -28.748   0.546   7.131
  326   2HB   SER  38           HB2      SER  38 -30.189   0.636   8.157
  327    HG   SER  38           HG1      SER  38 -29.903   2.716   7.892
  328    H    PHE  39           HN       PHE  39 -30.199   2.548   4.897
  329    HA   PHE  39           HA       PHE  39 -28.505   1.317   2.780
  330   1HB   PHE  39           HB1      PHE  39 -29.763   2.446   1.078
  331   2HB   PHE  39           HB2      PHE  39 -30.582   3.469   2.260
  332    HD1  PHE  39           HD2      PHE  39 -32.238   2.431   3.855
  333    HD2  PHE  39           HD1      PHE  39 -30.594   0.224   0.600
  334    HE1  PHE  39           HE2      PHE  39 -33.982   0.723   4.128
  335    HE2  PHE  39           HE1      PHE  39 -32.350  -1.473   0.872
  336    HZ   PHE  39           HZ       PHE  39 -34.044  -1.225   2.641
  337    H    LYS  40           HN       LYS  40 -27.328   3.013   1.522
  338    HA   LYS  40           HA       LYS  40 -26.207   4.967   3.429
  339   1HB   LYS  40           HB1      LYS  40 -25.409   4.120   0.597
  340   2HB   LYS  40           HB2      LYS  40 -24.684   3.548   2.081
  341   1HG   LYS  40           HG1      LYS  40 -24.619   6.447   1.157
  342   2HG   LYS  40           HG2      LYS  40 -23.300   5.307   0.969
  343   1HD   LYS  40           HD1      LYS  40 -23.518   4.954   3.534
  344   2HD   LYS  40           HD2      LYS  40 -24.419   6.463   3.515
  345   1HE   LYS  40           HE1      LYS  40 -21.544   5.979   2.745
  346   2HE   LYS  40           HE2      LYS  40 -22.191   7.162   3.873
  347   1HZ   LYS  40           HZ1      LYS  40 -22.996   8.478   2.143
  348   2HZ   LYS  40           HZ2      LYS  40 -22.827   7.244   0.990
  349   3HZ   LYS  40           HZ3      LYS  40 -21.449   8.002   1.630
  350    H    THR  41           HN       THR  41 -28.282   4.850   0.674
  351    HA   THR  41           HA       THR  41 -28.306   7.845   0.598
  352    HB   THR  41           HB       THR  41 -28.602   7.739  -1.808
  353    HG1  THR  41           HG1      THR  41 -29.573   6.021  -2.653
  354   1HG2  THR  41          HG21      THR  41 -26.296   6.757  -0.964
  355   2HG2  THR  41          HG22      THR  41 -26.780   6.314  -2.598
  356   3HG2  THR  41          HG23      THR  41 -27.007   5.175  -1.275
  357    H    LYS  42           HN       LYS  42 -30.321   8.809   0.008
  358    HA   LYS  42           HA       LYS  42 -32.534   7.583   1.365
  359   1HB   LYS  42           HB1      LYS  42 -32.416  10.039  -0.456
  360   2HB   LYS  42           HB2      LYS  42 -32.164  10.064   1.282
  361   1HG   LYS  42           HG1      LYS  42 -34.729   9.218  -0.116
  362   2HG   LYS  42           HG2      LYS  42 -34.475  10.740   0.723
  363   1HD   LYS  42           HD1      LYS  42 -33.750   9.072   2.702
  364   2HD   LYS  42           HD2      LYS  42 -34.857   8.003   1.847
  365   1HE   LYS  42           HE1      LYS  42 -36.075   9.304   3.547
  366   2HE   LYS  42           HE2      LYS  42 -36.606   9.763   1.933
  367   1HZ   LYS  42           HZ1      LYS  42 -35.984  11.829   2.311
  368   2HZ   LYS  42           HZ2      LYS  42 -34.402  11.345   2.697
  369   3HZ   LYS  42           HZ3      LYS  42 -35.590  11.410   3.909
  370    H    GLY  43           HN       GLY  43 -31.375   7.591  -1.869
  371   1HA   GLY  43           HA1      GLY  43 -32.216   6.562  -3.809
  372   2HA   GLY  43           HA2      GLY  43 -33.796   7.158  -3.303
  373    H    ASN  44           HN       ASN  44 -31.448   4.587  -2.620
  374    HA   ASN  44           HA       ASN  44 -33.087   2.401  -3.005
  375   1HB   ASN  44           HB1      ASN  44 -31.624   1.262  -1.232
  376   2HB   ASN  44           HB2      ASN  44 -30.949   2.845  -0.875
  377   1HD2  ASN  44          HD21      ASN  44 -31.836   2.036  -4.194
  378   2HD2  ASN  44          HD22      ASN  44 -30.251   1.908  -4.778
  379    H    LEU  45           HN       LEU  45 -32.746   4.255   0.007
  380    HA   LEU  45           HA       LEU  45 -34.385   2.739   1.674
  381   1HB   LEU  45           HB1      LEU  45 -34.165   5.789   1.419
  382   2HB   LEU  45           HB2      LEU  45 -33.180   4.766   2.442
  383    HG   LEU  45           HG       LEU  45 -34.787   5.718   3.918
  384   1HD1  LEU  45          HD11      LEU  45 -36.907   6.352   3.371
  385   2HD1  LEU  45          HD12      LEU  45 -37.270   4.834   2.564
  386   3HD1  LEU  45          HD13      LEU  45 -36.397   6.095   1.709
  387   1HD2  LEU  45          HD21      LEU  45 -34.481   3.179   4.011
  388   2HD2  LEU  45          HD22      LEU  45 -36.050   3.048   3.234
  389   3HD2  LEU  45          HD23      LEU  45 -35.914   3.816   4.809
  390    H    THR  46           HN       THR  46 -35.368   5.241  -0.642
  391    HA   THR  46           HA       THR  46 -38.159   5.130  -0.102
  392    HB   THR  46           HB       THR  46 -36.823   5.656  -2.827
  393    HG1  THR  46           HG1      THR  46 -37.207   7.159  -0.450
  394   1HG2  THR  46          HG21      THR  46 -39.261   6.951  -1.492
  395   2HG2  THR  46          HG22      THR  46 -39.429   5.600  -2.607
  396   3HG2  THR  46          HG23      THR  46 -38.758   7.127  -3.169
  397    H    LYS  47           HN       LYS  47 -36.131   3.244  -2.301
  398    HA   LYS  47           HA       LYS  47 -38.250   1.845  -3.600
  399   1HB   LYS  47           HB1      LYS  47 -35.424   0.875  -2.941
  400   2HB   LYS  47           HB2      LYS  47 -35.855   1.824  -4.358
  401   1HG   LYS  47           HG1      LYS  47 -37.597  -0.080  -4.800
  402   2HG   LYS  47           HG2      LYS  47 -36.598  -1.021  -3.698
  403   1HD   LYS  47           HD1      LYS  47 -34.613  -0.164  -5.191
  404   2HD   LYS  47           HD2      LYS  47 -35.874   0.140  -6.380
  405   1HE   LYS  47           HE1      LYS  47 -35.434  -2.052  -6.931
  406   2HE   LYS  47           HE2      LYS  47 -36.590  -2.350  -5.639
  407   1HZ   LYS  47           HZ1      LYS  47 -34.969  -3.565  -4.758
  408   2HZ   LYS  47           HZ2      LYS  47 -34.266  -2.088  -4.302
  409   3HZ   LYS  47           HZ3      LYS  47 -33.765  -2.863  -5.728
  410    H    HIS  48           HN       HIS  48 -36.657   1.349  -0.516
  411    HA   HIS  48           HA       HIS  48 -37.752  -1.304  -0.103
  412   1HB   HIS  48           HB1      HIS  48 -36.652   0.779   1.852
  413   2HB   HIS  48           HB2      HIS  48 -35.761  -0.569   1.156
  414    HD1  HIS  48           HD1      HIS  48 -36.997  -2.948   1.798
  415    HD2  HIS  48           HD2      HIS  48 -37.758   0.187   4.308
  416    HE1  HIS  48           HE1      HIS  48 -37.820  -3.958   3.869
  417    H    MET  49           HN       MET  49 -38.726   1.964   0.862
  418    HA   MET  49           HA       MET  49 -40.975   1.059   2.440
  419   1HB   MET  49           HB1      MET  49 -41.708   3.494   2.173
  420   2HB   MET  49           HB2      MET  49 -40.334   3.731   1.099
  421   1HG   MET  49           HG1      MET  49 -39.633   4.423   3.268
  422   2HG   MET  49           HG2      MET  49 -38.845   2.906   2.931
  423   1HE   MET  49           HE1      MET  49 -39.028   2.813   6.718
  424   2HE   MET  49           HE2      MET  49 -38.765   4.217   5.683
  425   3HE   MET  49           HE3      MET  49 -38.035   2.666   5.268
  426    H    LYS  50           HN       LYS  50 -40.497   1.915  -0.921
  427    HA   LYS  50           HA       LYS  50 -43.096   2.279  -1.836
  428   1HB   LYS  50           HB1      LYS  50 -41.074   0.467  -3.228
  429   2HB   LYS  50           HB2      LYS  50 -40.887   2.215  -3.178
  430   1HG   LYS  50           HG1      LYS  50 -42.880   2.574  -4.424
  431   2HG   LYS  50           HG2      LYS  50 -43.443   0.930  -4.149
  432   1HD   LYS  50           HD1      LYS  50 -40.803   1.172  -5.485
  433   2HD   LYS  50           HD2      LYS  50 -42.183   1.716  -6.432
  434   1HE   LYS  50           HE1      LYS  50 -41.746  -0.693  -6.800
  435   2HE   LYS  50           HE2      LYS  50 -43.314  -0.444  -6.042
  436   1HZ   LYS  50           HZ1      LYS  50 -42.057  -2.236  -5.004
  437   2HZ   LYS  50           HZ2      LYS  50 -42.359  -0.972  -3.911
  438   3HZ   LYS  50           HZ3      LYS  50 -40.817  -1.147  -4.602
  439    H    SER  51           HN       SER  51 -41.436  -0.867  -1.552
  440    HA   SER  51           HA       SER  51 -43.499  -2.556  -2.332
  441   1HB   SER  51           HB1      SER  51 -41.619  -2.959   0.063
  442   2HB   SER  51           HB2      SER  51 -41.241  -3.377  -1.620
  443    HG   SER  51           HG1      SER  51 -42.153  -5.141  -0.413
  444    H    LYS  52           HN       LYS  52 -45.260  -3.518  -1.332
  445    HA   LYS  52           HA       LYS  52 -46.605  -1.858   0.630
  446   1HB   LYS  52           HB1      LYS  52 -48.359  -2.922  -0.387
  447   2HB   LYS  52           HB2      LYS  52 -47.920  -4.382   0.489
  448   1HG   LYS  52           HG1      LYS  52 -46.331  -4.974  -1.338
  449   2HG   LYS  52           HG2      LYS  52 -46.843  -3.539  -2.224
  450   1HD   LYS  52           HD1      LYS  52 -49.179  -4.393  -2.222
  451   2HD   LYS  52           HD2      LYS  52 -48.636  -5.843  -1.385
  452   1HE   LYS  52           HE1      LYS  52 -47.192  -6.440  -3.259
  453   2HE   LYS  52           HE2      LYS  52 -47.572  -4.929  -4.076
  454   1HZ   LYS  52           HZ1      LYS  52 -48.936  -6.518  -5.059
  455   2HZ   LYS  52           HZ2      LYS  52 -49.962  -5.703  -3.979
  456   3HZ   LYS  52           HZ3      LYS  52 -49.348  -7.234  -3.575
  457    H    ALA  53           HN       ALA  53 -44.044  -3.496   1.237
  458    HA   ALA  53           HA       ALA  53 -44.588  -5.484   3.149
  459   1HB   ALA  53           HB1      ALA  53 -42.357  -4.869   4.110
  460   2HB   ALA  53           HB2      ALA  53 -42.388  -3.356   3.208
  461   3HB   ALA  53           HB3      ALA  53 -42.293  -4.891   2.351
  462    H    HIS  54           HN       HIS  54 -43.758  -2.112   3.976
  463    HA   HIS  54           HA       HIS  54 -45.981  -1.883   5.805
  464   1HB   HIS  54           HB1      HIS  54 -44.750  -3.230   7.309
  465   2HB   HIS  54           HB2      HIS  54 -44.272  -1.611   7.800
  466    HD1  HIS  54           HD1      HIS  54 -42.938  -4.618   6.209
  467    HD2  HIS  54           HD2      HIS  54 -41.598  -0.846   7.037
  468    HE1  HIS  54           HE1      HIS  54 -40.504  -4.714   5.951
  469    H    SER  55           HN       SER  55 -46.367   0.096   4.919
  470    HA   SER  55           HA       SER  55 -44.512   2.235   5.780
  471   1HB   SER  55           HB1      SER  55 -43.751   1.839   3.486
  472   2HB   SER  55           HB2      SER  55 -44.807   3.262   3.391
  473    HG   SER  55           HG1      SER  55 -45.396   0.561   2.804
  474    H    LYS  56           HN       LYS  56 -46.854   2.864   3.319
  475    HA   LYS  56           HA       LYS  56 -48.398   4.456   5.272
  476   1HB   LYS  56           HB1      LYS  56 -49.541   5.315   3.192
  477   2HB   LYS  56           HB2      LYS  56 -48.592   4.188   2.231
  478   1HG   LYS  56           HG1      LYS  56 -46.540   5.282   2.799
  479   2HG   LYS  56           HG2      LYS  56 -47.307   6.212   4.080
  480   1HD   LYS  56           HD1      LYS  56 -48.547   6.558   1.421
  481   2HD   LYS  56           HD2      LYS  56 -46.891   7.143   1.528
  482   1HE   LYS  56           HE1      LYS  56 -49.132   7.878   3.440
  483   2HE   LYS  56           HE2      LYS  56 -48.520   8.910   2.154
  484   1HZ   LYS  56           HZ1      LYS  56 -47.350   8.258   4.725
  485   2HZ   LYS  56           HZ2      LYS  56 -47.226   9.674   3.797
  486   3HZ   LYS  56           HZ3      LYS  56 -46.266   8.326   3.420
  487    H    LYS  57           HN       LYS  57 -50.246   3.518   2.626
  488    HA   LYS  57           HA       LYS  57 -52.262   2.325   4.214
  489   1HB   LYS  57           HB1      LYS  57 -53.198   1.585   1.975
  490   2HB   LYS  57           HB2      LYS  57 -51.697   2.116   1.221
  491   1HG   LYS  57           HG1      LYS  57 -52.087   4.400   1.835
  492   2HG   LYS  57           HG2      LYS  57 -53.388   3.955   2.934
  493   1HD   LYS  57           HD1      LYS  57 -54.285   4.852   0.805
  494   2HD   LYS  57           HD2      LYS  57 -54.744   3.168   1.027
  495   1HE   LYS  57           HE1      LYS  57 -53.304   2.413  -0.633
  496   2HE   LYS  57           HE2      LYS  57 -52.185   3.752  -0.418
  497   1HZ   LYS  57           HZ1      LYS  57 -53.418   5.124  -1.725
  498   2HZ   LYS  57           HZ2      LYS  57 -54.882   4.329  -1.400
  499   3HZ   LYS  57                 LYS  57 -53.761   3.638  -2.471
   
  Start of MODEL          49
 Raw file had 499 H/Q atoms
  Start of MODEL   49
    1   1H    LYS   1           HT1      LYS   1  -8.607  -8.371  -9.578
    2   2H    LYS   1           HT2      LYS   1  -8.632  -8.811  -7.938
    3   3H    LYS   1           HT3      LYS   1  -8.817  -7.183  -8.382
    4    HA   LYS   1           HA       LYS   1 -10.811  -8.267  -9.762
    5   1HB   LYS   1           HB1      LYS   1 -11.928  -9.912  -8.328
    6   2HB   LYS   1           HB2      LYS   1 -10.699  -9.733  -7.082
    7   1HG   LYS   1           HG1      LYS   1  -8.993 -10.643  -8.605
    8   2HG   LYS   1           HG2      LYS   1 -10.187 -10.769  -9.891
    9   1HD   LYS   1           HD1      LYS   1 -10.829 -12.075  -7.278
   10   2HD   LYS   1           HD2      LYS   1  -9.621 -12.849  -8.299
   11   1HE   LYS   1           HE1      LYS   1 -12.222 -11.931  -9.503
   12   2HE   LYS   1           HE2      LYS   1 -12.160 -13.454  -8.625
   13   1HZ   LYS   1           HZ1      LYS   1 -11.333 -12.924 -11.242
   14   2HZ   LYS   1           HZ2      LYS   1 -11.297 -14.400 -10.402
   15   3HZ   LYS   1           HZ3      LYS   1  -9.960 -13.355 -10.339
   16    OH   TYR   2           OH       TYR   2  -7.111  -3.597  -7.693
   17    H    TYR   2           HN       TYR   2 -12.676  -7.196  -9.241
   18    HA   TYR   2           HA       TYR   2 -12.832  -5.844  -6.607
   19   1HB   TYR   2           HB1      TYR   2 -13.239  -3.650  -7.713
   20   2HB   TYR   2           HB2      TYR   2 -12.978  -4.385  -9.291
   21    HD1  TYR   2           HD2      TYR   2 -11.316  -3.717  -6.022
   22    HD2  TYR   2           HD1      TYR   2 -10.774  -4.642 -10.138
   23    HE1  TYR   2           HE2      TYR   2  -8.903  -3.359  -5.785
   24    HE2  TYR   2           HE1      TYR   2  -8.360  -4.287  -9.900
   25    HH   TYR   2           HH       TYR   2  -6.663  -4.398  -7.973
   26    H    ILE   3           HN       ILE   3 -14.374  -7.939  -7.491
   27    HA   ILE   3           HA       ILE   3 -16.971  -6.670  -8.235
   28    HB   ILE   3           HB       ILE   3 -16.340  -9.647  -8.180
   29   1HG1  ILE   3          HG11      ILE   3 -14.652  -8.621  -9.608
   30   2HG1  ILE   3          HG12      ILE   3 -15.876  -7.663 -10.434
   31   1HG2  ILE   3          HG21      ILE   3 -18.197  -8.098 -10.035
   32   2HG2  ILE   3          HG22      ILE   3 -18.733  -8.576  -8.427
   33   3HG2  ILE   3          HG23      ILE   3 -18.272  -9.804  -9.601
   34   1HD1  ILE   3           HD1      ILE   3 -15.087  -9.869 -11.571
   35   2HD1  ILE   3           HD2      ILE   3 -16.819  -9.562 -11.489
   36   3HD1  ILE   3           HD3      ILE   3 -16.067 -10.677 -10.352
   37    H    CYS   4           HN       CYS   4 -17.994  -6.096  -6.370
   38    HA   CYS   4           HA       CYS   4 -17.630  -7.252  -3.851
   39   1HB   CYS   4           HB1      CYS   4 -20.022  -5.932  -5.121
   40   2HB   CYS   4           HB2      CYS   4 -18.925  -5.260  -3.952
   41    H    GLU   5           HN       GLU   5 -18.013  -9.166  -3.075
   42    HA   GLU   5           HA       GLU   5 -19.258 -11.238  -4.582
   43   1HB   GLU   5           HB1      GLU   5 -19.037 -12.541  -2.434
   44   2HB   GLU   5           HB2      GLU   5 -18.601 -11.049  -1.608
   45   1HG   GLU   5           HG1      GLU   5 -17.092 -12.051  -4.037
   46   2HG   GLU   5           HG2      GLU   5 -16.641 -12.502  -2.395
   47    H    GLU   6           HN       GLU   6 -20.613  -8.824  -2.573
   48    HA   GLU   6           HA       GLU   6 -23.012 -10.417  -2.022
   49   1HB   GLU   6           HB1      GLU   6 -22.600  -7.481  -1.367
   50   2HB   GLU   6           HB2      GLU   6 -21.899  -8.749  -0.369
   51   1HG   GLU   6           HG1      GLU   6 -24.114  -9.699   0.049
   52   2HG   GLU   6           HG2      GLU   6 -24.851  -8.532  -1.046
   53    H    CYS   7           HN       CYS   7 -22.630  -7.079  -3.177
   54    HA   CYS   7           HA       CYS   7 -25.140  -7.236  -4.617
   55   1HB   CYS   7           HB1      CYS   7 -24.771  -4.968  -5.150
   56   2HB   CYS   7           HB2      CYS   7 -23.041  -5.139  -5.118
   57    H    GLY   8           HN       GLY   8 -21.717  -7.155  -5.560
   58   1HA   GLY   8           HA1      GLY   8 -22.526  -8.270  -8.205
   59   2HA   GLY   8           HA2      GLY   8 -20.931  -8.438  -7.486
   60    H    ILE   9           HN       ILE   9 -21.346  -5.430  -6.719
   61    HA   ILE   9           HA       ILE   9 -21.427  -3.930  -9.105
   62    HB   ILE   9           HB       ILE   9 -21.413  -3.143  -6.600
   63   1HG1  ILE   9          HG11      ILE   9 -20.296  -1.815  -9.018
   64   2HG1  ILE   9          HG12      ILE   9 -20.015  -1.007  -7.480
   65   1HG2  ILE   9          HG21      ILE   9 -19.043  -4.194  -6.286
   66   2HG2  ILE   9          HG22      ILE   9 -19.252  -2.566  -5.681
   67   3HG2  ILE   9          HG23      ILE   9 -18.432  -2.829  -7.207
   68   1HD1  ILE   9           HD1      ILE   9 -22.414  -1.034  -6.984
   69   2HD1  ILE   9           HD2      ILE   9 -22.733  -1.953  -8.452
   70   3HD1  ILE   9           HD3      ILE   9 -22.159  -0.292  -8.560
   71    NH1  ARG  10           NH1      ARG  10 -17.569  -7.252 -16.739
   72    NH2  ARG  10           NH2      ARG  10 -15.294  -7.373 -16.891
   73    H    ARG  10           HN       ARG  10 -20.065  -3.755 -10.755
   74    HA   ARG  10           HA       ARG  10 -17.384  -5.008 -10.482
   75   1HB   ARG  10           HB1      ARG  10 -18.883  -4.048 -12.966
   76   2HB   ARG  10           HB2      ARG  10 -18.934  -5.695 -12.354
   77   1HG   ARG  10           HG1      ARG  10 -16.270  -5.425 -12.475
   78   2HG   ARG  10           HG2      ARG  10 -16.692  -4.238 -13.701
   79   1HD   ARG  10           HD1      ARG  10 -18.272  -6.141 -14.607
   80   2HD   ARG  10           HD2      ARG  10 -17.210  -7.203 -13.683
   81    HE   ARG  10           HE       ARG  10 -15.517  -5.541 -15.189
   82   1HH1  ARG  10          HH11      ARG  10 -18.379  -6.900 -16.268
   83   2HH1  ARG  10          HH12      ARG  10 -17.674  -7.842 -17.539
   84   1HH2  ARG  10          HH21      ARG  10 -14.396  -7.113 -16.535
   85   2HH2  ARG  10          HH22      ARG  10 -15.359  -7.966 -17.694
   86    H    ABA  11           HN       ABU  11 -16.079  -3.461  -9.592
   87    HA   ABA  11           HA       ABU  11 -15.806  -0.902 -11.145
   88   1HB   ABA  11           HB1      ABU  11 -15.095   0.163  -9.050
   89   2HB   ABA  11           HB2      ABU  11 -15.134  -1.364  -8.202
   90   1HG   ABA  11           HG1      ABU  11 -17.182  -0.357  -7.591
   91   2HG   ABA  11           HG2      ABU  11 -17.648  -1.431  -8.902
   92   3HG   ABA  11           HG3      ABU  11 -17.447   0.288  -9.207
   93    H    LYS  12           HN       LYS  12 -14.279  -1.889 -12.503
   94    HA   LYS  12           HA       LYS  12 -12.056  -3.387 -11.914
   95   1HB   LYS  12           HB1      LYS  12 -10.927  -1.905 -13.775
   96   2HB   LYS  12           HB2      LYS  12 -12.487  -1.096 -13.851
   97   1HG   LYS  12           HG1      LYS  12 -12.922  -2.777 -15.372
   98   2HG   LYS  12           HG2      LYS  12 -13.342  -3.648 -13.904
   99   1HD   LYS  12           HD1      LYS  12 -11.843  -5.085 -15.109
  100   2HD   LYS  12           HD2      LYS  12 -10.907  -4.403 -13.785
  101   1HE   LYS  12           HE1      LYS  12  -9.434  -3.557 -15.271
  102   2HE   LYS  12           HE2      LYS  12 -10.711  -2.589 -15.993
  103   1HZ   LYS  12           HZ1      LYS  12 -10.062  -3.853 -17.753
  104   2HZ   LYS  12           HZ2      LYS  12 -11.307  -4.829 -17.135
  105   3HZ   LYS  12           HZ3      LYS  12  -9.685  -5.210 -16.805
  106    H    LYS  13           HN       LYS  13 -12.584  -0.108 -10.901
  107    HA   LYS  13           HA       LYS  13  -9.721   0.184 -10.221
  108   1HB   LYS  13           HB1      LYS  13 -10.417   2.541  -9.609
  109   2HB   LYS  13           HB2      LYS  13 -12.063   2.119 -10.062
  110   1HG   LYS  13           HG1      LYS  13 -11.064   1.390 -12.328
  111   2HG   LYS  13           HG2      LYS  13  -9.617   2.261 -11.836
  112   1HD   LYS  13           HD1      LYS  13 -12.413   3.436 -12.023
  113   2HD   LYS  13           HD2      LYS  13 -11.103   3.723 -13.161
  114   1HE   LYS  13           HE1      LYS  13 -10.802   5.565 -11.796
  115   2HE   LYS  13           HE2      LYS  13  -9.811   4.408 -10.916
  116   1HZ   LYS  13           HZ1      LYS  13 -12.369   5.570 -10.213
  117   2HZ   LYS  13           HZ2      LYS  13 -11.098   5.046  -9.218
  118   3HZ   LYS  13           HZ3      LYS  13 -12.196   3.918  -9.858
  119    HA   PRO  14           HA       PRO  14 -10.421  -0.939  -5.955
  120   1HB   PRO  14           HB1      PRO  14  -8.219  -0.862  -5.262
  121   2HB   PRO  14           HB2      PRO  14  -8.458   0.835  -4.849
  122   1HG   PRO  14           HG1      PRO  14  -6.784  -0.163  -6.915
  123   2HG   PRO  14           HG2      PRO  14  -7.244   1.525  -6.673
  124   1HD   PRO  14           HD1      PRO  14  -8.417   1.401  -8.639
  125   2HD   PRO  14           HD2      PRO  14  -8.152  -0.350  -8.721
  126    H    SER  15           HN       SER  15  -9.354   2.458  -5.915
  127    HA   SER  15           HA       SER  15 -10.657   3.575  -3.855
  128   1HB   SER  15           HB1      SER  15  -9.477   4.849  -5.734
  129   2HB   SER  15           HB2      SER  15 -10.977   5.640  -5.215
  130    HG   SER  15           HG1      SER  15 -11.961   4.992  -6.994
  131    H    MET  16           HN       MET  16 -12.351   2.911  -6.913
  132    HA   MET  16           HA       MET  16 -14.911   3.749  -5.941
  133   1HB   MET  16           HB1      MET  16 -15.664   2.108  -7.877
  134   2HB   MET  16           HB2      MET  16 -13.938   1.971  -8.196
  135   1HG   MET  16           HG1      MET  16 -13.787   4.432  -8.349
  136   2HG   MET  16           HG2      MET  16 -15.505   4.549  -8.078
  137   1HE   MET  16           HE1      MET  16 -15.336   5.968 -11.460
  138   2HE   MET  16           HE2      MET  16 -15.142   6.215  -9.725
  139   3HE   MET  16           HE3      MET  16 -16.675   5.623 -10.365
  140    H    LEU  17           HN       LEU  17 -13.421   0.513  -6.201
  141    HA   LEU  17           HA       LEU  17 -15.666  -0.810  -4.973
  142   1HB   LEU  17           HB1      LEU  17 -12.799  -1.819  -4.919
  143   2HB   LEU  17           HB2      LEU  17 -13.701  -1.795  -6.414
  144    HG   LEU  17           HG       LEU  17 -13.772  -4.022  -5.214
  145   1HD1  LEU  17          HD11      LEU  17 -14.957  -4.300  -3.176
  146   2HD1  LEU  17          HD12      LEU  17 -15.595  -2.668  -3.221
  147   3HD1  LEU  17          HD13      LEU  17 -13.885  -2.935  -2.908
  148   1HD2  LEU  17          HD21      LEU  17 -16.015  -4.487  -5.756
  149   2HD2  LEU  17          HD22      LEU  17 -15.648  -3.094  -6.756
  150   3HD2  LEU  17          HD23      LEU  17 -16.575  -2.891  -5.282
  151    H    LYS  18           HN       LYS  18 -12.388  -0.157  -3.766
  152    HA   LYS  18           HA       LYS  18 -12.426  -0.890  -1.182
  153   1HB   LYS  18           HB1      LYS  18 -11.200   1.313  -0.659
  154   2HB   LYS  18           HB2      LYS  18 -11.565   1.804  -2.309
  155   1HG   LYS  18           HG1      LYS  18 -10.401  -0.178  -3.182
  156   2HG   LYS  18           HG2      LYS  18 -10.071  -0.729  -1.546
  157   1HD   LYS  18           HD1      LYS  18  -9.107   1.906  -2.719
  158   2HD   LYS  18           HD2      LYS  18  -8.119   0.458  -2.566
  159   1HE   LYS  18           HE1      LYS  18  -8.956   0.619  -0.020
  160   2HE   LYS  18           HE2      LYS  18  -9.095   2.320  -0.440
  161   1HZ   LYS  18           HZ1      LYS  18  -6.705   0.619  -0.361
  162   2HZ   LYS  18           HZ2      LYS  18  -6.949   2.170   0.290
  163   3HZ   LYS  18           HZ3      LYS  18  -6.738   1.976  -1.384
  164    H    LYS  19           HN       LYS  19 -14.057   2.041  -2.350
  165    HA   LYS  19           HA       LYS  19 -15.094   2.663   0.274
  166   1HB   LYS  19           HB1      LYS  19 -16.553   4.286  -1.089
  167   2HB   LYS  19           HB2      LYS  19 -15.797   3.636  -2.537
  168   1HG   LYS  19           HG1      LYS  19 -13.826   4.741  -2.159
  169   2HG   LYS  19           HG2      LYS  19 -13.879   4.467  -0.428
  170   1HD   LYS  19           HD1      LYS  19 -14.118   6.854  -0.871
  171   2HD   LYS  19           HD2      LYS  19 -15.638   6.238  -0.241
  172   1HE   LYS  19           HE1      LYS  19 -16.700   6.916  -2.113
  173   2HE   LYS  19           HE2      LYS  19 -15.642   5.907  -3.090
  174   1HZ   LYS  19           HZ1      LYS  19 -15.550   8.267  -3.690
  175   2HZ   LYS  19           HZ2      LYS  19 -14.042   7.663  -3.194
  176   3HZ   LYS  19           HZ3      LYS  19 -14.959   8.630  -2.140
  177    H    HIS  20           HN       HIS  20 -16.344   1.117  -2.638
  178    HA   HIS  20           HA       HIS  20 -19.048   0.864  -1.847
  179   1HB   HIS  20           HB1      HIS  20 -17.307  -1.081  -3.417
  180   2HB   HIS  20           HB2      HIS  20 -18.246   0.233  -4.121
  181    HD1  HIS  20           HD1      HIS  20 -20.573  -0.478  -4.691
  182    HD2  HIS  20           HD2      HIS  20 -18.912  -3.055  -2.019
  183    HE1  HIS  20           HE1      HIS  20 -22.231  -2.252  -4.382
  184    H    ILE  21           HN       ILE  21 -16.391  -1.473  -1.485
  185    HA   ILE  21           HA       ILE  21 -17.878  -3.338   0.039
  186    HB   ILE  21           HB       ILE  21 -15.680  -3.863  -0.976
  187   1HG1  ILE  21          HG11      ILE  21 -16.307  -4.421   1.841
  188   2HG1  ILE  21          HG12      ILE  21 -14.590  -4.525   1.497
  189   1HG2  ILE  21          HG21      ILE  21 -13.604  -2.953   0.088
  190   2HG2  ILE  21          HG22      ILE  21 -14.587  -1.987   1.184
  191   3HG2  ILE  21          HG23      ILE  21 -14.614  -1.662  -0.545
  192   1HD1  ILE  21           HD1      ILE  21 -15.012  -6.072  -0.341
  193   2HD1  ILE  21           HD2      ILE  21 -16.752  -5.876  -0.149
  194   3HD1  ILE  21           HD3      ILE  21 -15.812  -6.679   1.105
  195    NH1  ARG  22           NH2      ARG  22 -11.912   1.718   5.746
  196    NH2  ARG  22           NH1      ARG  22 -11.166   3.446   4.451
  197    H    ARG  22           HN       ARG  22 -16.208  -0.389   0.993
  198    HA   ARG  22           HA       ARG  22 -16.344  -0.926   3.835
  199   1HB   ARG  22           HB1      ARG  22 -16.192   1.706   3.882
  200   2HB   ARG  22           HB2      ARG  22 -16.006   1.571   2.138
  201   1HG   ARG  22           HG1      ARG  22 -14.136  -0.092   2.568
  202   2HG   ARG  22           HG2      ARG  22 -14.243   0.337   4.270
  203   1HD   ARG  22           HD1      ARG  22 -13.954   2.777   3.524
  204   2HD   ARG  22           HD2      ARG  22 -13.499   2.132   1.947
  205    HE   ARG  22           HE       ARG  22 -11.576   1.031   3.046
  206   1HH1  ARG  22          HH21      ARG  22 -12.358   0.825   5.808
  207   2HH1  ARG  22          HH22      ARG  22 -11.598   2.179   6.576
  208   1HH2  ARG  22          HH11      ARG  22 -11.050   3.848   3.542
  209   2HH2  ARG  22          HH12      ARG  22 -10.838   3.936   5.259
  210    H    THR  23           HN       THR  23 -18.686   0.056   1.516
  211    HA   THR  23           HA       THR  23 -20.449   1.431   3.357
  212    HB   THR  23           HB       THR  23 -21.270  -0.093   0.815
  213    HG1  THR  23           HG1      THR  23 -19.854   2.290   1.336
  214   1HG2  THR  23          HG21      THR  23 -22.203   2.493   2.191
  215   2HG2  THR  23          HG22      THR  23 -23.119   0.989   2.158
  216   3HG2  THR  23          HG23      THR  23 -22.844   1.886   0.668
  217    H    HIS  24           HN       HIS  24 -19.937  -1.950   2.577
  218    HA   HIS  24           HA       HIS  24 -22.434  -2.837   3.777
  219   1HB   HIS  24           HB1      HIS  24 -21.154  -5.099   3.826
  220   2HB   HIS  24           HB2      HIS  24 -19.807  -4.241   3.085
  221    HD1  HIS  24           HD1      HIS  24 -23.468  -4.708   2.308
  222    HD2  HIS  24           HD2      HIS  24 -19.917  -4.262   0.361
  223    HE1  HIS  24           HE1      HIS  24 -23.989  -4.939  -0.100
  224    H    THR  25           HN       THR  25 -20.267  -1.116   5.230
  225    HA   THR  25           HA       THR  25 -19.686  -2.818   7.560
  226    HB   THR  25           HB       THR  25 -18.644  -0.587   8.375
  227    HG1  THR  25           HG1      THR  25 -18.660   1.004   6.732
  228   1HG2  THR  25          HG21      THR  25 -17.060  -1.942   7.115
  229   2HG2  THR  25          HG22      THR  25 -17.048  -0.383   6.299
  230   3HG2  THR  25          HG23      THR  25 -17.970  -1.722   5.624
  231    H    ASP  26           HN       ASP  26 -20.286   0.393   8.318
  232    HA   ASP  26           HA       ASP  26 -23.063  -0.110   9.177
  233   1HB   ASP  26           HB1      ASP  26 -22.524   0.620  11.510
  234   2HB   ASP  26           HB2      ASP  26 -20.823   0.763  11.071
  235    H    VAL  27           HN       VAL  27 -21.583   1.556   7.286
  236    HA   VAL  27           HA       VAL  27 -22.046   4.281   8.361
  237    HB   VAL  27           HB       VAL  27 -19.920   3.846   7.190
  238   1HG1  VAL  27          HG11      VAL  27 -21.641   3.095   4.812
  239   2HG1  VAL  27          HG12      VAL  27 -20.739   1.964   5.803
  240   3HG1  VAL  27          HG13      VAL  27 -19.883   3.154   4.838
  241   1HG2  VAL  27          HG21      VAL  27 -21.184   5.378   5.023
  242   2HG2  VAL  27          HG22      VAL  27 -19.946   5.879   6.171
  243   3HG2  VAL  27          HG23      VAL  27 -21.645   5.943   6.626
  244    NH1  ARG  28           NH2      ARG  28 -26.277  -2.273   2.917
  245    NH2  ARG  28           NH1      ARG  28 -24.744  -2.934   4.478
  246    H    ARG  28           HN       ARG  28 -24.302   2.785   7.981
  247    HA   ARG  28           HA       ARG  28 -25.611   3.990   5.582
  248   1HB   ARG  28           HB1      ARG  28 -27.323   2.098   6.120
  249   2HB   ARG  28           HB2      ARG  28 -26.078   1.456   7.181
  250   1HG   ARG  28           HG1      ARG  28 -24.556   1.777   5.026
  251   2HG   ARG  28           HG2      ARG  28 -26.102   1.656   4.196
  252   1HD   ARG  28           HD1      ARG  28 -26.551  -0.458   5.506
  253   2HD   ARG  28           HD2      ARG  28 -24.898  -0.367   6.109
  254    HE   ARG  28           HE       ARG  28 -24.519  -0.246   3.403
  255   1HH1  ARG  28          HH21      ARG  28 -26.733  -1.531   2.425
  256   2HH1  ARG  28          HH22      ARG  28 -26.521  -3.223   2.726
  257   1HH2  ARG  28          HH11      ARG  28 -24.051  -2.687   5.155
  258   2HH2  ARG  28          HH12      ARG  28 -24.962  -3.896   4.312
  259    HA   PRO  29           HA       PRO  29 -27.403   6.088   9.322
  260   1HB   PRO  29           HB1      PRO  29 -26.936   8.292   8.889
  261   2HB   PRO  29           HB2      PRO  29 -28.121   8.307   7.581
  262   1HG   PRO  29           HG1      PRO  29 -25.213   8.225   7.376
  263   2HG   PRO  29           HG2      PRO  29 -26.392   8.378   6.073
  264   1HD   PRO  29           HD1      PRO  29 -26.123   6.190   5.504
  265   2HD   PRO  29           HD2      PRO  29 -24.812   6.080   6.690
  266    OH   TYR  30           OH       TYR  30 -29.330  10.550   2.794
  267    H    TYR  30           HN       TYR  30 -28.713   5.735   6.065
  268    HA   TYR  30           HA       TYR  30 -31.444   6.337   6.835
  269   1HB   TYR  30           HB1      TYR  30 -31.985   5.322   4.600
  270   2HB   TYR  30           HB2      TYR  30 -30.327   4.737   4.477
  271    HD1  TYR  30           HD1      TYR  30 -32.243   7.906   5.034
  272    HD2  TYR  30           HD2      TYR  30 -28.708   6.120   3.482
  273    HE1  TYR  30           HE1      TYR  30 -31.539  10.077   4.138
  274    HE2  TYR  30           HE2      TYR  30 -28.003   8.292   2.588
  275    HH   TYR  30           HH       TYR  30 -29.429  10.520   1.840
  276    H    HIS  31           HN       HIS  31 -32.684   5.110   8.099
  277    HA   HIS  31           HA       HIS  31 -32.356   2.132   7.969
  278   1HB   HIS  31           HB1      HIS  31 -32.873   2.085  10.409
  279   2HB   HIS  31           HB2      HIS  31 -32.999   3.841  10.417
  280    HD1  HIS  31           HD1      HIS  31 -30.426   1.278   9.660
  281    HD2  HIS  31           HD2      HIS  31 -30.632   5.143  10.873
  282    HE1  HIS  31           HE1      HIS  31 -28.134   1.895  10.162
  283    H    CYS  32           HN       CYS  32 -34.208   0.902   7.917
  284    HA   CYS  32           HA       CYS  32 -36.628   2.215   7.077
  285   1HB   CYS  32           HB1      CYS  32 -35.946  -0.601   7.978
  286   2HB   CYS  32           HB2      CYS  32 -36.322  -0.050   6.367
  287    H    THR  33           HN       THR  33 -38.623   2.392   8.155
  288    HA   THR  33           HA       THR  33 -38.338   3.009  10.993
  289    HB   THR  33           HB       THR  33 -40.881   2.944   9.252
  290    HG1  THR  33           HG1      THR  33 -40.063   4.698   8.426
  291   1HG2  THR  33          HG21      THR  33 -40.064   4.309  11.876
  292   2HG2  THR  33          HG22      THR  33 -41.490   3.314  11.602
  293   3HG2  THR  33          HG23      THR  33 -41.389   4.921  10.892
  294    OH   TYR  34           OH       TYR  34 -44.969   1.914   9.633
  295    H    TYR  34           HN       TYR  34 -38.386   0.172   9.648
  296    HA   TYR  34           HA       TYR  34 -39.905  -1.055  11.882
  297   1HB   TYR  34           HB1      TYR  34 -40.963  -2.678  10.298
  298   2HB   TYR  34           HB2      TYR  34 -40.194  -1.863   8.944
  299    HD1  TYR  34           HD2      TYR  34 -40.877   0.467   8.348
  300    HD2  TYR  34           HD1      TYR  34 -42.919  -1.733  11.362
  301    HE1  TYR  34           HE2      TYR  34 -42.764   2.027   8.210
  302    HE2  TYR  34           HE1      TYR  34 -44.803  -0.169  11.225
  303    HH   TYR  34           HH       TYR  34 -45.648   1.512   9.085
  304    H    CYS  35           HN       CYS  35 -38.280  -2.197   8.930
  305    HA   CYS  35           HA       CYS  35 -37.037  -4.429  10.215
  306   1HB   CYS  35           HB1      CYS  35 -35.716  -4.614   8.185
  307   2HB   CYS  35           HB2      CYS  35 -35.966  -2.938   7.798
  308    H    ASN  36           HN       ASN  36 -34.661  -4.738  10.288
  309    HA   ASN  36           HA       ASN  36 -33.439  -2.399  11.656
  310   1HB   ASN  36           HB1      ASN  36 -32.194  -5.165  11.498
  311   2HB   ASN  36           HB2      ASN  36 -33.574  -4.912  12.564
  312   1HD2  ASN  36          HD21      ASN  36 -31.618  -5.487  14.135
  313   2HD2  ASN  36          HD22      ASN  36 -30.776  -4.152  14.759
  314    H    PHE  37           HN       PHE  37 -33.720  -3.286   8.664
  315    HA   PHE  37           HA       PHE  37 -30.945  -3.468   7.783
  316   1HB   PHE  37           HB1      PHE  37 -33.258  -2.680   5.995
  317   2HB   PHE  37           HB2      PHE  37 -33.187  -4.320   6.634
  318    HD1  PHE  37           HD2      PHE  37 -31.072  -5.690   6.212
  319    HD2  PHE  37           HD1      PHE  37 -31.855  -2.026   4.185
  320    HE1  PHE  37           HE2      PHE  37 -29.431  -6.289   4.486
  321    HE2  PHE  37           HE1      PHE  37 -30.211  -2.631   2.464
  322    HZ   PHE  37           HZ       PHE  37 -28.998  -4.761   2.613
  323    H    SER  38           HN       SER  38 -29.832  -1.901   6.569
  324    HA   SER  38           HA       SER  38 -30.930   0.847   6.712
  325   1HB   SER  38           HB1      SER  38 -28.033   0.265   7.384
  326   2HB   SER  38           HB2      SER  38 -29.274   0.224   8.641
  327    HG   SER  38           HG1      SER  38 -29.851   2.298   8.136
  328    H    PHE  39           HN       PHE  39 -30.199   2.264   5.163
  329    HA   PHE  39           HA       PHE  39 -28.655   0.996   2.939
  330   1HB   PHE  39           HB1      PHE  39 -30.066   2.165   1.413
  331   2HB   PHE  39           HB2      PHE  39 -30.602   3.303   2.645
  332    HD1  PHE  39           HD2      PHE  39 -32.083   2.452   4.531
  333    HD2  PHE  39           HD1      PHE  39 -31.201   0.075   1.107
  334    HE1  PHE  39           HE2      PHE  39 -33.975   0.976   5.062
  335    HE2  PHE  39           HE1      PHE  39 -33.103  -1.384   1.634
  336    HZ   PHE  39           HZ       PHE  39 -34.492  -0.934   3.609
  337    H    LYS  40           HN       LYS  40 -27.375   2.415   1.646
  338    HA   LYS  40           HA       LYS  40 -26.011   4.439   3.295
  339   1HB   LYS  40           HB1      LYS  40 -25.459   3.233   0.548
  340   2HB   LYS  40           HB2      LYS  40 -24.675   2.790   2.047
  341   1HG   LYS  40           HG1      LYS  40 -24.463   5.476   0.634
  342   2HG   LYS  40           HG2      LYS  40 -23.196   4.266   0.776
  343   1HD   LYS  40           HD1      LYS  40 -23.642   4.511   3.354
  344   2HD   LYS  40           HD2      LYS  40 -24.330   6.062   2.895
  345   1HE   LYS  40           HE1      LYS  40 -21.499   5.113   2.711
  346   2HE   LYS  40           HE2      LYS  40 -22.117   6.693   3.176
  347   1HZ   LYS  40           HZ1      LYS  40 -21.849   5.566   0.458
  348   2HZ   LYS  40           HZ2      LYS  40 -21.150   6.980   1.088
  349   3HZ   LYS  40           HZ3      LYS  40 -22.820   6.922   0.782
  350    H    THR  41           HN       THR  41 -28.329   4.319   0.758
  351    HA   THR  41           HA       THR  41 -28.086   7.287   0.469
  352    HB   THR  41           HB       THR  41 -28.506   7.067  -1.971
  353    HG1  THR  41           HG1      THR  41 -29.328   4.654  -1.018
  354   1HG2  THR  41          HG21      THR  41 -26.101   6.510  -1.100
  355   2HG2  THR  41          HG22      THR  41 -26.510   5.816  -2.664
  356   3HG2  THR  41          HG23      THR  41 -26.563   4.816  -1.216
  357    H    LYS  42           HN       LYS  42 -30.012   8.368  -0.111
  358    HA   LYS  42           HA       LYS  42 -32.330   7.331   1.206
  359   1HB   LYS  42           HB1      LYS  42 -31.906   9.709  -0.655
  360   2HB   LYS  42           HB2      LYS  42 -31.943   9.745   1.104
  361   1HG   LYS  42           HG1      LYS  42 -34.343   8.657   0.742
  362   2HG   LYS  42           HG2      LYS  42 -34.209   9.426  -0.835
  363   1HD   LYS  42           HD1      LYS  42 -33.743  11.595   0.264
  364   2HD   LYS  42           HD2      LYS  42 -33.885  10.826   1.841
  365   1HE   LYS  42           HE1      LYS  42 -36.212  10.269   1.425
  366   2HE   LYS  42           HE2      LYS  42 -36.093  10.830  -0.238
  367   1HZ   LYS  42           HZ1      LYS  42 -35.256  12.858   1.539
  368   2HZ   LYS  42           HZ2      LYS  42 -36.799  12.305   1.982
  369   3HZ   LYS  42           HZ3      LYS  42 -36.522  12.879   0.408
  370    H    GLY  43           HN       GLY  43 -31.210   7.285  -2.078
  371   1HA   GLY  43           HA1      GLY  43 -32.083   6.164  -3.952
  372   2HA   GLY  43           HA2      GLY  43 -33.616   6.900  -3.490
  373    H    ASN  44           HN       ASN  44 -31.489   4.302  -2.311
  374    HA   ASN  44           HA       ASN  44 -33.255   2.179  -2.767
  375   1HB   ASN  44           HB1      ASN  44 -31.940   1.050  -0.880
  376   2HB   ASN  44           HB2      ASN  44 -31.153   2.598  -0.599
  377   1HD2  ASN  44          HD21      ASN  44 -32.064   1.297  -3.798
  378   2HD2  ASN  44          HD22      ASN  44 -30.475   1.161  -4.376
  379    H    LEU  45           HN       LEU  45 -32.933   4.225   0.114
  380    HA   LEU  45           HA       LEU  45 -34.718   2.896   1.805
  381   1HB   LEU  45           HB1      LEU  45 -34.514   5.933   1.437
  382   2HB   LEU  45           HB2      LEU  45 -33.333   4.992   2.323
  383    HG   LEU  45           HG       LEU  45 -34.853   5.970   3.931
  384   1HD1  LEU  45          HD11      LEU  45 -37.154   6.074   3.758
  385   2HD1  LEU  45          HD12      LEU  45 -37.281   4.580   2.848
  386   3HD1  LEU  45          HD13      LEU  45 -36.749   6.048   2.048
  387   1HD2  LEU  45          HD21      LEU  45 -35.859   3.126   3.786
  388   2HD2  LEU  45          HD22      LEU  45 -35.369   4.066   5.187
  389   3HD2  LEU  45          HD23      LEU  45 -34.156   3.449   4.076
  390    H    THR  46           HN       THR  46 -35.488   5.484  -0.510
  391    HA   THR  46           HA       THR  46 -38.292   5.454  -0.131
  392    HB   THR  46           HB       THR  46 -36.775   5.994  -2.755
  393    HG1  THR  46           HG1      THR  46 -37.113   7.293  -0.300
  394   1HG2  THR  46          HG21      THR  46 -39.264   6.055  -3.018
  395   2HG2  THR  46          HG22      THR  46 -38.661   7.709  -2.976
  396   3HG2  THR  46          HG23      THR  46 -39.413   7.009  -1.546
  397    H    LYS  47           HN       LYS  47 -36.228   3.430  -2.137
  398    HA   LYS  47           HA       LYS  47 -38.389   2.188  -3.589
  399   1HB   LYS  47           HB1      LYS  47 -36.623   0.425  -4.083
  400   2HB   LYS  47           HB2      LYS  47 -35.552   1.242  -2.955
  401   1HG   LYS  47           HG1      LYS  47 -35.713   3.316  -4.302
  402   2HG   LYS  47           HG2      LYS  47 -36.785   2.496  -5.432
  403   1HD   LYS  47           HD1      LYS  47 -35.076   1.288  -6.381
  404   2HD   LYS  47           HD2      LYS  47 -34.206   1.126  -4.861
  405   1HE   LYS  47           HE1      LYS  47 -33.160   2.653  -6.676
  406   2HE   LYS  47           HE2      LYS  47 -33.252   3.287  -5.038
  407   1HZ   LYS  47           HZ1      LYS  47 -35.645   3.870  -6.389
  408   2HZ   LYS  47           HZ2      LYS  47 -34.338   4.372  -7.351
  409   3HZ   LYS  47           HZ3      LYS  47 -34.490   4.944  -5.759
  410    H    HIS  48           HN       HIS  48 -36.724   1.412  -0.568
  411    HA   HIS  48           HA       HIS  48 -38.014  -1.157  -0.248
  412   1HB   HIS  48           HB1      HIS  48 -36.735   0.743   1.783
  413   2HB   HIS  48           HB2      HIS  48 -35.944  -0.613   0.988
  414    HD1  HIS  48           HD1      HIS  48 -37.398  -2.939   1.512
  415    HD2  HIS  48           HD2      HIS  48 -37.714   0.066   4.266
  416    HE1  HIS  48           HE1      HIS  48 -38.182  -4.016   3.566
  417    H    MET  49           HN       MET  49 -38.837   2.135   0.609
  418    HA   MET  49           HA       MET  49 -41.114   1.264   2.255
  419   1HB   MET  49           HB1      MET  49 -41.563   3.804   2.263
  420   2HB   MET  49           HB2      MET  49 -40.097   3.981   1.306
  421   1HG   MET  49           HG1      MET  49 -39.552   4.293   3.640
  422   2HG   MET  49           HG2      MET  49 -38.816   2.823   3.062
  423   1HE   MET  49           HE1      MET  49 -39.670   4.232   6.026
  424   2HE   MET  49           HE2      MET  49 -41.087   3.476   6.756
  425   3HE   MET  49           HE3      MET  49 -41.275   4.541   5.364
  426    H    LYS  50           HN       LYS  50 -40.479   2.133  -1.026
  427    HA   LYS  50           HA       LYS  50 -43.071   3.007  -1.814
  428   1HB   LYS  50           HB1      LYS  50 -41.172   1.302  -3.493
  429   2HB   LYS  50           HB2      LYS  50 -40.894   3.013  -3.199
  430   1HG   LYS  50           HG1      LYS  50 -42.981   3.610  -4.269
  431   2HG   LYS  50           HG2      LYS  50 -43.462   1.921  -4.384
  432   1HD   LYS  50           HD1      LYS  50 -41.842   1.448  -6.041
  433   2HD   LYS  50           HD2      LYS  50 -40.897   2.882  -5.654
  434   1HE   LYS  50           HE1      LYS  50 -42.693   4.324  -6.526
  435   2HE   LYS  50           HE2      LYS  50 -43.682   2.910  -6.867
  436   1HZ   LYS  50           HZ1      LYS  50 -41.496   2.249  -8.181
  437   2HZ   LYS  50           HZ2      LYS  50 -41.358   3.938  -8.283
  438   3HZ   LYS  50           HZ3      LYS  50 -42.745   3.161  -8.882
  439    H    SER  51           HN       SER  51 -41.663  -0.238  -1.623
  440    HA   SER  51           HA       SER  51 -43.903  -1.622  -2.732
  441   1HB   SER  51           HB1      SER  51 -41.910  -2.597  -0.610
  442   2HB   SER  51           HB2      SER  51 -41.642  -2.674  -2.363
  443    HG   SER  51           HG1      SER  51 -43.353  -4.138  -0.753
  444    H    LYS  52           HN       LYS  52 -45.285  -3.148  -1.444
  445    HA   LYS  52           HA       LYS  52 -46.553  -1.597   0.720
  446   1HB   LYS  52           HB1      LYS  52 -48.274  -3.492   0.557
  447   2HB   LYS  52           HB2      LYS  52 -47.299  -4.174  -0.740
  448   1HG   LYS  52           HG1      LYS  52 -48.735  -2.867  -2.001
  449   2HG   LYS  52           HG2      LYS  52 -47.472  -1.681  -1.689
  450   1HD   LYS  52           HD1      LYS  52 -48.741  -0.869   0.287
  451   2HD   LYS  52           HD2      LYS  52 -50.010  -2.038  -0.056
  452   1HE   LYS  52           HE1      LYS  52 -49.111  -0.052  -2.147
  453   2HE   LYS  52           HE2      LYS  52 -50.327   0.376  -0.951
  454   1HZ   LYS  52           HZ1      LYS  52 -51.605  -1.582  -1.671
  455   2HZ   LYS  52           HZ2      LYS  52 -50.467  -1.851  -2.902
  456   3HZ   LYS  52           HZ3      LYS  52 -51.401  -0.431  -2.903
  457    H    ALA  53           HN       ALA  53 -43.934  -3.121   1.002
  458    HA   ALA  53           HA       ALA  53 -44.095  -5.429   2.521
  459   1HB   ALA  53           HB1      ALA  53 -42.068  -4.555   3.750
  460   2HB   ALA  53           HB2      ALA  53 -42.379  -2.957   3.079
  461   3HB   ALA  53           HB3      ALA  53 -41.947  -4.290   2.013
  462    H    HIS  54           HN       HIS  54 -43.622  -2.410   4.305
  463    HA   HIS  54           HA       HIS  54 -45.988  -3.004   5.943
  464   1HB   HIS  54           HB1      HIS  54 -44.565  -4.157   7.357
  465   2HB   HIS  54           HB2      HIS  54 -44.256  -2.541   7.969
  466    HD1  HIS  54           HD1      HIS  54 -42.629  -5.280   6.280
  467    HD2  HIS  54           HD2      HIS  54 -41.744  -1.346   6.974
  468    HE1  HIS  54           HE1      HIS  54 -40.216  -5.082   5.943
  469    H    SER  55           HN       SER  55 -46.820  -1.095   5.194
  470    HA   SER  55           HA       SER  55 -45.673   1.321   6.502
  471   1HB   SER  55           HB1      SER  55 -46.044   2.630   4.425
  472   2HB   SER  55           HB2      SER  55 -46.721   1.202   3.618
  473    HG   SER  55           HG1      SER  55 -44.100   1.557   4.645
  474    H    LYS  56           HN       LYS  56 -47.512   0.457   7.908
  475    HA   LYS  56           HA       LYS  56 -50.224   0.906   6.953
  476   1HB   LYS  56           HB1      LYS  56 -50.673   0.695   9.527
  477   2HB   LYS  56           HB2      LYS  56 -48.955   0.331   9.659
  478   1HG   LYS  56           HG1      LYS  56 -49.213  -1.536   8.069
  479   2HG   LYS  56           HG2      LYS  56 -50.923  -1.160   7.890
  480   1HD   LYS  56           HD1      LYS  56 -51.247  -1.564  10.325
  481   2HD   LYS  56           HD2      LYS  56 -49.546  -1.994  10.464
  482   1HE   LYS  56           HE1      LYS  56 -49.826  -3.891   8.998
  483   2HE   LYS  56           HE2      LYS  56 -51.455  -3.387   8.566
  484   1HZ   LYS  56           HZ1      LYS  56 -51.712  -5.070  10.140
  485   2HZ   LYS  56           HZ2      LYS  56 -51.983  -3.633  11.003
  486   3HZ   LYS  56           HZ3      LYS  56 -50.499  -4.446  11.153
  487    H    LYS  57           HN       LYS  57 -49.178   3.171   6.293
  488    HA   LYS  57           HA       LYS  57 -50.445   5.074   8.095
  489   1HB   LYS  57           HB1      LYS  57 -47.546   5.533   7.302
  490   2HB   LYS  57           HB2      LYS  57 -47.970   4.741   8.815
  491   1HG   LYS  57           HG1      LYS  57 -48.962   6.669   9.698
  492   2HG   LYS  57           HG2      LYS  57 -49.275   7.357   8.109
  493   1HD   LYS  57           HD1      LYS  57 -46.938   7.866   7.785
  494   2HD   LYS  57           HD2      LYS  57 -46.482   6.951   9.218
  495   1HE   LYS  57           HE1      LYS  57 -47.846   8.542  10.602
  496   2HE   LYS  57           HE2      LYS  57 -48.137   9.495   9.151
  497   1HZ   LYS  57           HZ1      LYS  57 -46.240  10.207  10.627
  498   2HZ   LYS  57           HZ2      LYS  57 -45.890  10.040   8.974
  499   3HZ   LYS  57                 LYS  57 -45.407   8.836  10.069
   
  Start of MODEL          50
 Raw file had 499 H/Q atoms
  Start of MODEL   50
    1   1H    LYS   1           HT1      LYS   1  -7.972  -2.260 -10.491
    2   2H    LYS   1           HT2      LYS   1  -7.669  -3.872 -10.930
    3   3H    LYS   1           HT3      LYS   1  -8.227  -3.507  -9.369
    4    HA   LYS   1           HA       LYS   1  -9.770  -2.909 -11.822
    5   1HB   LYS   1           HB1      LYS   1  -9.721  -5.289 -11.851
    6   2HB   LYS   1           HB2      LYS   1 -11.157  -4.959 -10.892
    7   1HG   LYS   1           HG1      LYS   1 -10.180  -6.354  -9.371
    8   2HG   LYS   1           HG2      LYS   1  -9.219  -4.941  -8.952
    9   1HD   LYS   1           HD1      LYS   1  -7.558  -5.658 -10.730
   10   2HD   LYS   1           HD2      LYS   1  -8.475  -7.150 -10.895
   11   1HE   LYS   1           HE1      LYS   1  -7.256  -6.150  -8.300
   12   2HE   LYS   1           HE2      LYS   1  -6.544  -7.387  -9.328
   13   1HZ   LYS   1           HZ1      LYS   1  -8.492  -8.754  -9.003
   14   2HZ   LYS   1           HZ2      LYS   1  -9.213  -7.553  -8.043
   15   3HZ   LYS   1           HZ3      LYS   1  -7.808  -8.340  -7.505
   16    OH   TYR   2           OH       TYR   2  -8.150   2.227  -9.440
   17    H    TYR   2           HN       TYR   2 -12.192  -3.150 -11.024
   18    HA   TYR   2           HA       TYR   2 -12.521  -2.055  -8.296
   19   1HB   TYR   2           HB1      TYR   2 -13.810  -0.104  -9.191
   20   2HB   TYR   2           HB2      TYR   2 -13.405  -0.602 -10.832
   21    HD1  TYR   2           HD2      TYR   2 -11.934   0.536  -7.618
   22    HD2  TYR   2           HD1      TYR   2 -11.271  -0.077 -11.773
   23    HE1  TYR   2           HE2      TYR   2  -9.822   1.771  -7.463
   24    HE2  TYR   2           HE1      TYR   2  -9.153   1.147 -11.617
   25    HH   TYR   2           HH       TYR   2  -8.351   3.160  -9.345
   26    H    ILE   3           HN       ILE   3 -13.356  -4.501  -9.094
   27    HA   ILE   3           HA       ILE   3 -16.299  -4.169  -9.523
   28    HB   ILE   3           HB       ILE   3 -14.713  -6.732  -9.925
   29   1HG1  ILE   3          HG11      ILE   3 -13.606  -5.150 -11.359
   30   2HG1  ILE   3          HG12      ILE   3 -15.135  -4.440 -11.865
   31   1HG2  ILE   3          HG21      ILE   3 -17.335  -6.521  -9.840
   32   2HG2  ILE   3          HG22      ILE   3 -16.639  -7.393 -11.202
   33   3HG2  ILE   3          HG23      ILE   3 -17.181  -5.730 -11.406
   34   1HD1  ILE   3           HD1      ILE   3 -14.002  -6.155 -13.462
   35   2HD1  ILE   3           HD2      ILE   3 -15.727  -6.332 -13.153
   36   3HD1  ILE   3           HD3      ILE   3 -14.573  -7.370 -12.322
   37    H    CYS   4           HN       CYS   4 -17.302  -4.279  -7.563
   38    HA   CYS   4           HA       CYS   4 -16.185  -5.442  -5.254
   39   1HB   CYS   4           HB1      CYS   4 -19.089  -5.076  -6.037
   40   2HB   CYS   4           HB2      CYS   4 -18.132  -3.998  -5.064
   41    H    GLU   5           HN       GLU   5 -15.565  -7.433  -5.005
   42    HA   GLU   5           HA       GLU   5 -16.389  -9.625  -6.591
   43   1HB   GLU   5           HB1      GLU   5 -15.282 -11.002  -4.771
   44   2HB   GLU   5           HB2      GLU   5 -15.160  -9.541  -3.799
   45   1HG   GLU   5           HG1      GLU   5 -13.047  -9.855  -4.967
   46   2HG   GLU   5           HG2      GLU   5 -13.870  -8.475  -5.690
   47    H    GLU   6           HN       GLU   6 -17.959  -8.127  -3.945
   48    HA   GLU   6           HA       GLU   6 -19.482 -10.515  -3.246
   49   1HB   GLU   6           HB1      GLU   6 -20.150  -7.715  -2.321
   50   2HB   GLU   6           HB2      GLU   6 -18.722  -8.518  -1.686
   51   1HG   GLU   6           HG1      GLU   6 -21.450  -9.832  -1.680
   52   2HG   GLU   6           HG2      GLU   6 -20.878  -8.841  -0.339
   53    H    CYS   7           HN       CYS   7 -20.529  -7.222  -4.131
   54    HA   CYS   7           HA       CYS   7 -23.067  -8.269  -5.123
   55   1HB   CYS   7           HB1      CYS   7 -23.620  -5.981  -5.556
   56   2HB   CYS   7           HB2      CYS   7 -21.950  -5.510  -5.662
   57    H    GLY   8           HN       GLY   8 -20.269  -6.648  -6.572
   58   1HA   GLY   8           HA1      GLY   8 -20.988  -7.914  -9.183
   59   2HA   GLY   8           HA2      GLY   8 -19.340  -7.546  -8.687
   60    H    ILE   9           HN       ILE   9 -20.674  -4.970  -7.506
   61    HA   ILE   9           HA       ILE   9 -21.632  -3.412  -9.651
   62    HB   ILE   9           HB       ILE   9 -21.523  -2.876  -7.083
   63   1HG1  ILE   9          HG11      ILE   9 -20.917  -0.805  -9.221
   64   2HG1  ILE   9          HG12      ILE   9 -21.382  -0.388  -7.578
   65   1HG2  ILE   9          HG21      ILE   9 -18.936  -1.495  -7.935
   66   2HG2  ILE   9          HG22      ILE   9 -18.919  -3.075  -7.171
   67   3HG2  ILE   9          HG23      ILE   9 -19.569  -1.696  -6.313
   68   1HD1  ILE   9           HD1      ILE   9 -23.069  -1.210  -9.790
   69   2HD1  ILE   9           HD2      ILE   9 -23.544  -0.586  -8.216
   70   3HD1  ILE   9           HD3      ILE   9 -23.280  -2.311  -8.436
   71    NH1  ARG  10           NH2      ARG  10 -20.639  -5.018 -16.013
   72    NH2  ARG  10           NH1      ARG  10 -19.183  -5.161 -17.769
   73    H    ARG  10           HN       ARG  10 -20.679  -2.610 -11.408
   74    HA   ARG  10           HA       ARG  10 -17.709  -2.785 -11.566
   75   1HB   ARG  10           HB1      ARG  10 -19.737  -2.317 -13.804
   76   2HB   ARG  10           HB2      ARG  10 -19.204  -3.916 -13.306
   77   1HG   ARG  10           HG1      ARG  10 -16.782  -2.877 -13.671
   78   2HG   ARG  10           HG2      ARG  10 -17.654  -1.749 -14.702
   79   1HD   ARG  10           HD1      ARG  10 -17.766  -4.779 -14.936
   80   2HD   ARG  10           HD2      ARG  10 -16.842  -3.712 -15.990
   81    HE   ARG  10           HE       ARG  10 -19.235  -2.654 -16.407
   82   1HH1  ARG  10          HH21      ARG  10 -20.924  -4.558 -15.172
   83   2HH1  ARG  10          HH22      ARG  10 -21.155  -5.805 -16.352
   84   1HH2  ARG  10          HH11      ARG  10 -18.376  -4.808 -18.244
   85   2HH2  ARG  10          HH12      ARG  10 -19.675  -5.950 -18.137
   86    H    ABA  11           HN       ABU  11 -16.845  -0.927 -10.839
   87    HA   ABA  11           HA       ABU  11 -17.858   1.619 -12.067
   88   1HB   ABA  11           HB1      ABU  11 -17.251   2.763  -9.986
   89   2HB   ABA  11           HB2      ABU  11 -16.547   1.301  -9.329
   90   1HG   ABA  11           HG1      ABU  11 -18.835   0.226  -9.509
   91   2HG   ABA  11           HG2      ABU  11 -19.476   1.809  -9.928
   92   3HG   ABA  11           HG3      ABU  11 -18.745   1.543  -8.348
   93    H    LYS  12           HN       LYS  12 -16.407   1.950 -13.638
   94    HA   LYS  12           HA       LYS  12 -13.664   1.237 -13.539
   95   1HB   LYS  12           HB1      LYS  12 -13.494   2.895 -15.483
   96   2HB   LYS  12           HB2      LYS  12 -15.182   3.296 -15.191
   97   1HG   LYS  12           HG1      LYS  12 -15.884   1.036 -15.660
   98   2HG   LYS  12           HG2      LYS  12 -14.220   0.462 -15.678
   99   1HD   LYS  12           HD1      LYS  12 -13.759   1.904 -17.651
  100   2HD   LYS  12           HD2      LYS  12 -15.435   2.438 -17.642
  101   1HE   LYS  12           HE1      LYS  12 -16.246   0.307 -18.253
  102   2HE   LYS  12           HE2      LYS  12 -14.770  -0.502 -17.743
  103   1HZ   LYS  12           HZ1      LYS  12 -15.154  -0.187 -20.217
  104   2HZ   LYS  12           HZ2      LYS  12 -13.626   0.233 -19.605
  105   3HZ   LYS  12           HZ3      LYS  12 -14.762   1.445 -19.959
  106    H    LYS  13           HN       LYS  13 -14.964   3.282 -11.449
  107    HA   LYS  13           HA       LYS  13 -12.533   5.005 -11.428
  108   1HB   LYS  13           HB1      LYS  13 -14.136   6.798 -10.432
  109   2HB   LYS  13           HB2      LYS  13 -15.441   5.770 -11.016
  110   1HG   LYS  13           HG1      LYS  13 -14.542   5.897 -13.305
  111   2HG   LYS  13           HG2      LYS  13 -13.195   6.878 -12.736
  112   1HD   LYS  13           HD1      LYS  13 -14.672   8.683 -12.116
  113   2HD   LYS  13           HD2      LYS  13 -16.096   7.682 -12.373
  114   1HE   LYS  13           HE1      LYS  13 -15.943   7.816 -14.684
  115   2HE   LYS  13           HE2      LYS  13 -14.198   8.031 -14.661
  116   1HZ   LYS  13           HZ1      LYS  13 -15.237  10.217 -13.353
  117   2HZ   LYS  13           HZ2      LYS  13 -16.241   9.990 -14.704
  118   3HZ   LYS  13           HZ3      LYS  13 -14.566  10.179 -14.913
  119    HA   PRO  14           HA       PRO  14 -12.095   3.552  -7.239
  120   1HB   PRO  14           HB1      PRO  14 -10.057   4.518  -6.771
  121   2HB   PRO  14           HB2      PRO  14 -10.908   5.958  -6.209
  122   1HG   PRO  14           HG1      PRO  14  -9.262   5.781  -8.518
  123   2HG   PRO  14           HG2      PRO  14 -10.333   7.121  -8.106
  124   1HD   PRO  14           HD1      PRO  14 -11.592   6.562  -9.941
  125   2HD   PRO  14           HD2      PRO  14 -10.667   5.063 -10.161
  126    H    SER  15           HN       SER  15 -12.538   7.079  -6.967
  127    HA   SER  15           HA       SER  15 -13.914   7.349  -4.650
  128   1HB   SER  15           HB1      SER  15 -13.512   9.155  -6.471
  129   2HB   SER  15           HB2      SER  15 -15.073   9.287  -5.638
  130    HG   SER  15           HG1      SER  15 -15.949   8.944  -7.509
  131    H    MET  16           HN       MET  16 -15.374   6.111  -7.635
  132    HA   MET  16           HA       MET  16 -18.016   5.882  -6.476
  133   1HB   MET  16           HB1      MET  16 -18.264   4.227  -8.495
  134   2HB   MET  16           HB2      MET  16 -16.637   4.743  -8.931
  135   1HG   MET  16           HG1      MET  16 -18.280   6.115 -10.087
  136   2HG   MET  16           HG2      MET  16 -17.370   7.077  -8.953
  137   1HE   MET  16           HE1      MET  16 -20.696   5.787 -10.167
  138   2HE   MET  16           HE2      MET  16 -20.206   7.418 -10.626
  139   3HE   MET  16           HE3      MET  16 -21.654   7.174  -9.648
  140    H    LEU  17           HN       LEU  17 -15.579   3.396  -7.335
  141    HA   LEU  17           HA       LEU  17 -16.958   1.285  -5.999
  142   1HB   LEU  17           HB1      LEU  17 -13.936   1.447  -6.244
  143   2HB   LEU  17           HB2      LEU  17 -14.920   1.240  -7.673
  144    HG   LEU  17           HG       LEU  17 -14.084  -0.936  -6.743
  145   1HD1  LEU  17          HD11      LEU  17 -15.978  -0.491  -4.429
  146   2HD1  LEU  17          HD12      LEU  17 -14.267  -0.105  -4.329
  147   3HD1  LEU  17          HD13      LEU  17 -14.781  -1.759  -4.631
  148   1HD2  LEU  17          HD21      LEU  17 -17.065  -1.004  -6.345
  149   2HD2  LEU  17          HD22      LEU  17 -16.027  -2.108  -7.235
  150   3HD2  LEU  17          HD23      LEU  17 -16.432  -0.539  -7.913
  151    H    LYS  18           HN       LYS  18 -14.079   3.110  -5.047
  152    HA   LYS  18           HA       LYS  18 -13.534   2.287  -2.528
  153   1HB   LYS  18           HB1      LYS  18 -13.946   5.245  -3.173
  154   2HB   LYS  18           HB2      LYS  18 -12.577   4.320  -3.777
  155   1HG   LYS  18           HG1      LYS  18 -13.160   4.244  -0.836
  156   2HG   LYS  18           HG2      LYS  18 -12.395   5.682  -1.503
  157   1HD   LYS  18           HD1      LYS  18 -11.310   3.002  -2.294
  158   2HD   LYS  18           HD2      LYS  18 -10.930   3.613  -0.688
  159   1HE   LYS  18           HE1      LYS  18  -9.843   5.535  -1.551
  160   2HE   LYS  18           HE2      LYS  18 -10.580   5.348  -3.136
  161   1HZ   LYS  18           HZ1      LYS  18  -8.836   3.224  -2.111
  162   2HZ   LYS  18           HZ2      LYS  18  -8.136   4.639  -2.739
  163   3HZ   LYS  18           HZ3      LYS  18  -9.147   3.687  -3.716
  164    H    LYS  19           HN       LYS  19 -16.176   4.568  -3.267
  165    HA   LYS  19           HA       LYS  19 -17.068   4.651  -0.541
  166   1HB   LYS  19           HB1      LYS  19 -19.183   5.622  -1.632
  167   2HB   LYS  19           HB2      LYS  19 -18.411   5.342  -3.189
  168   1HG   LYS  19           HG1      LYS  19 -16.441   6.707  -2.331
  169   2HG   LYS  19           HG2      LYS  19 -17.442   7.145  -0.952
  170   1HD   LYS  19           HD1      LYS  19 -19.159   8.052  -2.503
  171   2HD   LYS  19           HD2      LYS  19 -18.122   7.648  -3.868
  172   1HE   LYS  19           HE1      LYS  19 -16.348   9.051  -2.411
  173   2HE   LYS  19           HE2      LYS  19 -17.825   9.813  -1.837
  174   1HZ   LYS  19           HZ1      LYS  19 -16.487  10.245  -4.241
  175   2HZ   LYS  19           HZ2      LYS  19 -17.926  10.964  -3.698
  176   3HZ   LYS  19           HZ3      LYS  19 -17.983   9.537  -4.619
  177    H    HIS  20           HN       HIS  20 -18.015   2.806  -3.390
  178    HA   HIS  20           HA       HIS  20 -20.309   1.546  -2.306
  179   1HB   HIS  20           HB1      HIS  20 -18.250   0.488  -4.287
  180   2HB   HIS  20           HB2      HIS  20 -19.727   1.350  -4.707
  181    HD1  HIS  20           HD1      HIS  20 -21.661  -0.208  -5.027
  182    HD2  HIS  20           HD2      HIS  20 -18.706  -2.020  -2.899
  183    HE1  HIS  20           HE1      HIS  20 -22.417  -2.515  -4.695
  184    H    ILE  21           HN       ILE  21 -16.924   0.414  -2.388
  185    HA   ILE  21           HA       ILE  21 -17.420  -1.984  -0.963
  186    HB   ILE  21           HB       ILE  21 -15.214  -0.995  -2.175
  187   1HG1  ILE  21          HG11      ILE  21 -15.287  -2.932   0.167
  188   2HG1  ILE  21          HG12      ILE  21 -13.890  -2.734  -0.883
  189   1HG2  ILE  21          HG21      ILE  21 -13.554  -0.212  -0.611
  190   2HG2  ILE  21          HG22      ILE  21 -14.505  -0.709   0.783
  191   3HG2  ILE  21          HG23      ILE  21 -14.997   0.673  -0.175
  192   1HD1  ILE  21           HD1      ILE  21 -14.827  -4.190  -2.337
  193   2HD1  ILE  21           HD2      ILE  21 -16.144  -3.054  -2.597
  194   3HD1  ILE  21           HD3      ILE  21 -16.278  -4.285  -1.348
  195    NH1  ARG  22           NH2      ARG  22 -13.195   3.570   4.372
  196    NH2  ARG  22           NH1      ARG  22 -11.620   3.592   2.717
  197    H    ARG  22           HN       ARG  22 -16.994   1.305   0.161
  198    HA   ARG  22           HA       ARG  22 -16.628   0.561   2.956
  199   1HB   ARG  22           HB1      ARG  22 -17.395   3.063   3.237
  200   2HB   ARG  22           HB2      ARG  22 -17.355   3.122   1.479
  201   1HG   ARG  22           HG1      ARG  22 -15.000   2.444   1.476
  202   2HG   ARG  22           HG2      ARG  22 -15.026   2.254   3.226
  203   1HD   ARG  22           HD1      ARG  22 -15.396   4.625   3.549
  204   2HD   ARG  22           HD2      ARG  22 -15.649   4.874   1.822
  205    HE   ARG  22           HE       ARG  22 -13.316   5.088   1.668
  206   1HH1  ARG  22          HH21      ARG  22 -14.117   3.806   4.680
  207   2HH1  ARG  22          HH22      ARG  22 -12.567   3.096   4.989
  208   1HH2  ARG  22          HH11      ARG  22 -11.359   3.845   1.786
  209   2HH2  ARG  22          HH12      ARG  22 -10.965   3.118   3.308
  210    H    THR  23           HN       THR  23 -19.371   0.860   0.873
  211    HA   THR  23           HA       THR  23 -21.296   1.384   2.948
  212    HB   THR  23           HB       THR  23 -21.733  -0.092   0.277
  213    HG1  THR  23           HG1      THR  23 -22.239   2.138  -0.305
  214   1HG2  THR  23          HG21      THR  23 -23.883  -0.134   1.309
  215   2HG2  THR  23          HG22      THR  23 -23.914   1.508   0.681
  216   3HG2  THR  23          HG23      THR  23 -23.508   1.218   2.369
  217    H    HIS  24           HN       HIS  24 -19.565  -1.467   2.055
  218    HA   HIS  24           HA       HIS  24 -21.546  -3.318   3.166
  219   1HB   HIS  24           HB1      HIS  24 -19.454  -4.900   3.100
  220   2HB   HIS  24           HB2      HIS  24 -18.632  -3.561   2.304
  221    HD1  HIS  24           HD1      HIS  24 -21.787  -5.540   1.763
  222    HD2  HIS  24           HD2      HIS  24 -18.995  -3.507  -0.399
  223    HE1  HIS  24           HE1      HIS  24 -22.379  -5.907  -0.607
  224    H    THR  25           HN       THR  25 -20.149  -0.994   4.699
  225    HA   THR  25           HA       THR  25 -19.045  -2.565   6.962
  226    HB   THR  25           HB       THR  25 -18.393  -0.208   7.751
  227    HG1  THR  25           HG1      THR  25 -20.019   0.241   5.547
  228   1HG2  THR  25          HG21      THR  25 -16.738  -1.278   6.243
  229   2HG2  THR  25          HG22      THR  25 -16.957   0.384   5.704
  230   3HG2  THR  25          HG23      THR  25 -17.754  -0.931   4.847
  231    H    ASP  26           HN       ASP  26 -20.245   0.439   7.780
  232    HA   ASP  26           HA       ASP  26 -22.938  -0.439   8.508
  233   1HB   ASP  26           HB1      ASP  26 -22.375   0.247  10.989
  234   2HB   ASP  26           HB2      ASP  26 -20.695  -0.014  10.526
  235    H    VAL  27           HN       VAL  27 -21.626   1.553   6.917
  236    HA   VAL  27           HA       VAL  27 -22.219   4.066   8.383
  237    HB   VAL  27           HB       VAL  27 -20.090   3.907   7.137
  238   1HG1  VAL  27          HG11      VAL  27 -20.908   2.237   5.462
  239   2HG1  VAL  27          HG12      VAL  27 -20.039   3.572   4.723
  240   3HG1  VAL  27          HG13      VAL  27 -21.795   3.517   4.658
  241   1HG2  VAL  27          HG21      VAL  27 -20.251   6.089   6.554
  242   2HG2  VAL  27          HG22      VAL  27 -21.972   5.969   6.895
  243   3HG2  VAL  27          HG23      VAL  27 -21.380   5.727   5.255
  244    NH1  ARG  28           NH2      ARG  28 -25.631  -0.957   8.222
  245    NH2  ARG  28           NH1      ARG  28 -25.070  -2.525   6.658
  246    H    ARG  28           HN       ARG  28 -24.458   2.588   7.856
  247    HA   ARG  28           HA       ARG  28 -25.783   4.031   5.598
  248   1HB   ARG  28           HB1      ARG  28 -27.482   2.101   5.886
  249   2HB   ARG  28           HB2      ARG  28 -26.295   1.358   6.948
  250   1HG   ARG  28           HG1      ARG  28 -24.702   1.944   4.841
  251   2HG   ARG  28           HG2      ARG  28 -26.229   1.723   3.997
  252   1HD   ARG  28           HD1      ARG  28 -25.017  -0.424   4.162
  253   2HD   ARG  28           HD2      ARG  28 -26.506  -0.486   5.102
  254    HE   ARG  28           HE       ARG  28 -23.926   0.164   6.455
  255   1HH1  ARG  28          HH21      ARG  28 -25.680   0.006   8.490
  256   2HH1  ARG  28          HH22      ARG  28 -25.949  -1.668   8.849
  257   1HH2  ARG  28          HH11      ARG  28 -24.699  -2.738   5.753
  258   2HH2  ARG  28          HH12      ARG  28 -25.379  -3.262   7.258
  259    HA   PRO  29           HA       PRO  29 -27.632   5.745   9.493
  260   1HB   PRO  29           HB1      PRO  29 -27.157   7.980   9.272
  261   2HB   PRO  29           HB2      PRO  29 -28.365   8.122   7.994
  262   1HG   PRO  29           HG1      PRO  29 -25.469   8.108   7.725
  263   2HG   PRO  29           HG2      PRO  29 -26.675   8.338   6.458
  264   1HD   PRO  29           HD1      PRO  29 -26.346   6.218   5.698
  265   2HD   PRO  29           HD2      PRO  29 -25.034   6.032   6.873
  266    OH   TYR  30           OH       TYR  30 -30.010  10.909   3.179
  267    H    TYR  30           HN       TYR  30 -28.920   5.863   6.189
  268    HA   TYR  30           HA       TYR  30 -31.652   6.336   6.936
  269   1HB   TYR  30           HB1      TYR  30 -32.130   5.342   4.633
  270   2HB   TYR  30           HB2      TYR  30 -30.421   4.936   4.512
  271    HD1  TYR  30           HD1      TYR  30 -32.698   7.834   5.130
  272    HD2  TYR  30           HD2      TYR  30 -28.898   6.553   3.708
  273    HE1  TYR  30           HE1      TYR  30 -32.213  10.113   4.371
  274    HE2  TYR  30           HE2      TYR  30 -28.413   8.834   2.951
  275    HH   TYR  30           HH       TYR  30 -30.806  11.260   2.770
  276    H    HIS  31           HN       HIS  31 -32.428   5.028   8.533
  277    HA   HIS  31           HA       HIS  31 -32.309   2.069   8.087
  278   1HB   HIS  31           HB1      HIS  31 -33.220   2.269  10.619
  279   2HB   HIS  31           HB2      HIS  31 -32.451   3.850  10.511
  280    HD1  HIS  31           HD1      HIS  31 -31.606   0.619  11.404
  281    HD2  HIS  31           HD2      HIS  31 -29.646   3.480   9.299
  282    HE1  HIS  31           HE1      HIS  31 -29.270  -0.036  11.486
  283    H    CYS  32           HN       CYS  32 -34.164   0.889   7.857
  284    HA   CYS  32           HA       CYS  32 -36.569   2.186   7.079
  285   1HB   CYS  32           HB1      CYS  32 -35.862  -0.621   7.965
  286   2HB   CYS  32           HB2      CYS  32 -36.340  -0.072   6.382
  287    H    THR  33           HN       THR  33 -38.625   2.238   8.149
  288    HA   THR  33           HA       THR  33 -38.330   2.917  10.994
  289    HB   THR  33           HB       THR  33 -40.690   3.045   9.025
  290    HG1  THR  33           HG1      THR  33 -39.826   4.939   8.729
  291   1HG2  THR  33          HG21      THR  33 -41.872   3.046  11.094
  292   2HG2  THR  33          HG22      THR  33 -41.368   4.732  11.046
  293   3HG2  THR  33          HG23      THR  33 -40.458   3.568  12.004
  294    OH   TYR  34           OH       TYR  34 -44.920   1.993   9.792
  295    H    TYR  34           HN       TYR  34 -38.283   0.091   9.796
  296    HA   TYR  34           HA       TYR  34 -39.910  -1.097  11.951
  297   1HB   TYR  34           HB1      TYR  34 -41.001  -2.689  10.350
  298   2HB   TYR  34           HB2      TYR  34 -40.221  -1.864   9.005
  299    HD1  TYR  34           HD2      TYR  34 -40.854   0.504   8.473
  300    HD2  TYR  34           HD1      TYR  34 -42.941  -1.736  11.426
  301    HE1  TYR  34           HE2      TYR  34 -42.716   2.098   8.370
  302    HE2  TYR  34           HE1      TYR  34 -44.796  -0.135  11.325
  303    HH   TYR  34           HH       TYR  34 -45.307   2.052  10.669
  304    H    CYS  35           HN       CYS  35 -38.332  -2.293   8.997
  305    HA   CYS  35           HA       CYS  35 -37.168  -4.572  10.247
  306   1HB   CYS  35           HB1      CYS  35 -35.798  -4.732   8.242
  307   2HB   CYS  35           HB2      CYS  35 -36.010  -3.040   7.895
  308    H    ASN  36           HN       ASN  36 -34.618  -4.758   9.820
  309    HA   ASN  36           HA       ASN  36 -33.386  -2.625  11.517
  310   1HB   ASN  36           HB1      ASN  36 -32.534  -5.542  11.132
  311   2HB   ASN  36           HB2      ASN  36 -33.480  -4.965  12.501
  312   1HD2  ASN  36          HD21      ASN  36 -32.352  -2.859  13.544
  313   2HD2  ASN  36          HD22      ASN  36 -30.685  -3.023  13.818
  314    H    PHE  37           HN       PHE  37 -33.707  -3.404   8.455
  315    HA   PHE  37           HA       PHE  37 -30.908  -3.444   7.601
  316   1HB   PHE  37           HB1      PHE  37 -33.227  -2.818   5.766
  317   2HB   PHE  37           HB2      PHE  37 -33.100  -4.441   6.438
  318    HD1  PHE  37           HD2      PHE  37 -30.829  -5.663   6.152
  319    HD2  PHE  37           HD1      PHE  37 -31.905  -2.207   3.908
  320    HE1  PHE  37           HE2      PHE  37 -29.119  -6.215   4.477
  321    HE2  PHE  37           HE1      PHE  37 -30.195  -2.764   2.235
  322    HZ   PHE  37           HZ       PHE  37 -28.801  -4.767   2.519
  323    H    SER  38           HN       SER  38 -30.015  -1.807   6.187
  324    HA   SER  38           HA       SER  38 -31.295   0.848   6.399
  325   1HB   SER  38           HB1      SER  38 -28.385   0.387   7.197
  326   2HB   SER  38           HB2      SER  38 -29.702   0.483   8.378
  327    HG   SER  38           HG1      SER  38 -30.189   2.516   7.669
  328    H    PHE  39           HN       PHE  39 -30.063   2.496   5.124
  329    HA   PHE  39           HA       PHE  39 -28.624   1.250   2.826
  330   1HB   PHE  39           HB1      PHE  39 -30.030   2.446   1.281
  331   2HB   PHE  39           HB2      PHE  39 -30.675   3.476   2.560
  332    HD1  PHE  39           HD2      PHE  39 -32.229   2.506   4.271
  333    HD2  PHE  39           HD1      PHE  39 -30.946   0.233   0.906
  334    HE1  PHE  39           HE2      PHE  39 -34.017   0.876   4.686
  335    HE2  PHE  39           HE1      PHE  39 -32.755  -1.379   1.310
  336    HZ   PHE  39           HZ       PHE  39 -34.296  -1.053   3.195
  337    H    LYS  40           HN       LYS  40 -27.311   2.727   1.622
  338    HA   LYS  40           HA       LYS  40 -26.080   4.759   3.358
  339   1HB   LYS  40           HB1      LYS  40 -25.425   3.679   0.574
  340   2HB   LYS  40           HB2      LYS  40 -24.643   3.228   2.075
  341   1HG   LYS  40           HG1      LYS  40 -24.531   5.960   0.750
  342   2HG   LYS  40           HG2      LYS  40 -23.215   4.806   0.883
  343   1HD   LYS  40           HD1      LYS  40 -23.682   4.946   3.450
  344   2HD   LYS  40           HD2      LYS  40 -24.484   6.457   3.052
  345   1HE   LYS  40           HE1      LYS  40 -21.595   5.748   2.909
  346   2HE   LYS  40           HE2      LYS  40 -22.349   7.281   3.323
  347   1HZ   LYS  40           HZ1      LYS  40 -22.964   7.470   0.929
  348   2HZ   LYS  40           HZ2      LYS  40 -21.973   6.126   0.624
  349   3HZ   LYS  40           HZ3      LYS  40 -21.299   7.554   1.247
  350    H    THR  41           HN       THR  41 -28.379   4.643   0.834
  351    HA   THR  41           HA       THR  41 -28.239   7.619   0.630
  352    HB   THR  41           HB       THR  41 -28.427   7.523  -1.778
  353    HG1  THR  41           HG1      THR  41 -28.737   5.077  -2.417
  354   1HG2  THR  41          HG21      THR  41 -26.188   6.472  -0.855
  355   2HG2  THR  41          HG22      THR  41 -26.624   6.026  -2.500
  356   3HG2  THR  41          HG23      THR  41 -26.935   4.909  -1.175
  357    H    LYS  42           HN       LYS  42 -30.180   8.642   0.051
  358    HA   LYS  42           HA       LYS  42 -32.478   7.523   1.316
  359   1HB   LYS  42           HB1      LYS  42 -31.981   9.938  -0.456
  360   2HB   LYS  42           HB2      LYS  42 -32.298   9.917   1.272
  361   1HG   LYS  42           HG1      LYS  42 -34.586   8.849   0.607
  362   2HG   LYS  42           HG2      LYS  42 -34.229   9.469  -1.002
  363   1HD   LYS  42           HD1      LYS  42 -33.934  11.744  -0.049
  364   2HD   LYS  42           HD2      LYS  42 -34.324  11.118   1.549
  365   1HE   LYS  42           HE1      LYS  42 -36.328  10.327  -0.416
  366   2HE   LYS  42           HE2      LYS  42 -36.149  12.076  -0.354
  367   1HZ   LYS  42           HZ1      LYS  42 -37.688  10.717   1.305
  368   2HZ   LYS  42           HZ2      LYS  42 -36.939  12.181   1.730
  369   3HZ   LYS  42           HZ3      LYS  42 -36.247  10.704   2.203
  370    H    GLY  43           HN       GLY  43 -31.190   7.266  -1.835
  371   1HA   GLY  43           HA1      GLY  43 -32.006   6.223  -3.775
  372   2HA   GLY  43           HA2      GLY  43 -33.585   6.872  -3.347
  373    H    ASN  44           HN       ASN  44 -31.344   4.225  -2.651
  374    HA   ASN  44           HA       ASN  44 -33.094   2.119  -2.962
  375   1HB   ASN  44           HB1      ASN  44 -31.641   0.931  -1.206
  376   2HB   ASN  44           HB2      ASN  44 -30.847   2.476  -0.923
  377   1HD2  ASN  44          HD21      ASN  44 -28.924   1.074  -1.756
  378   2HD2  ASN  44          HD22      ASN  44 -28.662   1.063  -3.433
  379    H    LEU  45           HN       LEU  45 -32.832   4.254  -0.197
  380    HA   LEU  45           HA       LEU  45 -34.426   2.710   1.596
  381   1HB   LEU  45           HB1      LEU  45 -33.994   5.735   1.333
  382   2HB   LEU  45           HB2      LEU  45 -33.086   4.644   2.358
  383    HG   LEU  45           HG       LEU  45 -34.613   5.711   3.836
  384   1HD1  LEU  45          HD11      LEU  45 -36.670   6.521   3.284
  385   2HD1  LEU  45          HD12      LEU  45 -37.160   5.034   2.490
  386   3HD1  LEU  45          HD13      LEU  45 -36.191   6.210   1.623
  387   1HD2  LEU  45          HD21      LEU  45 -34.512   3.161   3.935
  388   2HD2  LEU  45          HD22      LEU  45 -36.077   3.148   3.137
  389   3HD2  LEU  45          HD23      LEU  45 -35.903   3.903   4.714
  390    H    THR  46           HN       THR  46 -35.283   5.352  -0.622
  391    HA   THR  46           HA       THR  46 -38.063   5.379  -0.082
  392    HB   THR  46           HB       THR  46 -36.529   5.962  -2.687
  393    HG1  THR  46           HG1      THR  46 -37.604   7.528  -0.563
  394   1HG2  THR  46          HG21      THR  46 -39.428   6.268  -1.841
  395   2HG2  THR  46          HG22      THR  46 -38.787   5.982  -3.456
  396   3HG2  THR  46          HG23      THR  46 -38.703   7.592  -2.747
  397    H    LYS  47           HN       LYS  47 -36.132   3.319  -2.178
  398    HA   LYS  47           HA       LYS  47 -38.336   2.112  -3.562
  399   1HB   LYS  47           HB1      LYS  47 -36.612   0.218  -3.907
  400   2HB   LYS  47           HB2      LYS  47 -35.507   1.167  -2.919
  401   1HG   LYS  47           HG1      LYS  47 -35.638   3.035  -4.477
  402   2HG   LYS  47           HG2      LYS  47 -36.884   2.217  -5.411
  403   1HD   LYS  47           HD1      LYS  47 -35.212   0.338  -5.794
  404   2HD   LYS  47           HD2      LYS  47 -33.987   1.383  -5.083
  405   1HE   LYS  47           HE1      LYS  47 -35.408   1.631  -7.698
  406   2HE   LYS  47           HE2      LYS  47 -33.735   1.997  -7.297
  407   1HZ   LYS  47           HZ1      LYS  47 -34.357   4.014  -6.296
  408   2HZ   LYS  47           HZ2      LYS  47 -36.008   3.618  -6.318
  409   3HZ   LYS  47           HZ3      LYS  47 -35.196   3.951  -7.771
  410    H    HIS  48           HN       HIS  48 -36.584   1.186  -0.608
  411    HA   HIS  48           HA       HIS  48 -37.950  -1.271  -0.176
  412   1HB   HIS  48           HB1      HIS  48 -36.832   0.737   1.850
  413   2HB   HIS  48           HB2      HIS  48 -35.957  -0.620   1.148
  414    HD1  HIS  48           HD1      HIS  48 -37.715  -2.891   1.544
  415    HD2  HIS  48           HD2      HIS  48 -37.583   0.028   4.402
  416    HE1  HIS  48           HE1      HIS  48 -38.517  -3.956   3.596
  417    H    MET  49           HN       MET  49 -38.810   2.045   0.630
  418    HA   MET  49           HA       MET  49 -41.130   1.297   2.204
  419   1HB   MET  49           HB1      MET  49 -41.719   3.758   1.870
  420   2HB   MET  49           HB2      MET  49 -40.323   3.895   0.808
  421   1HG   MET  49           HG1      MET  49 -39.800   4.606   3.111
  422   2HG   MET  49           HG2      MET  49 -38.828   3.255   2.593
  423   1HE   MET  49           HE1      MET  49 -39.351   4.574   5.497
  424   2HE   MET  49           HE2      MET  49 -40.567   3.767   6.487
  425   3HE   MET  49           HE3      MET  49 -41.065   4.790   5.139
  426    H    LYS  50           HN       LYS  50 -40.522   2.040  -1.168
  427    HA   LYS  50           HA       LYS  50 -43.074   2.511  -2.161
  428   1HB   LYS  50           HB1      LYS  50 -41.099   0.568  -3.443
  429   2HB   LYS  50           HB2      LYS  50 -40.853   2.309  -3.455
  430   1HG   LYS  50           HG1      LYS  50 -43.545   1.396  -4.322
  431   2HG   LYS  50           HG2      LYS  50 -42.225   0.960  -5.399
  432   1HD   LYS  50           HD1      LYS  50 -41.490   3.350  -5.424
  433   2HD   LYS  50           HD2      LYS  50 -42.869   3.762  -4.410
  434   1HE   LYS  50           HE1      LYS  50 -42.834   2.837  -7.275
  435   2HE   LYS  50           HE2      LYS  50 -43.690   4.200  -6.567
  436   1HZ   LYS  50           HZ1      LYS  50 -44.958   2.402  -5.281
  437   2HZ   LYS  50           HZ2      LYS  50 -44.370   1.339  -6.467
  438   3HZ   LYS  50           HZ3      LYS  50 -45.342   2.657  -6.916
  439    H    SER  51           HN       SER  51 -41.598  -0.731  -1.923
  440    HA   SER  51           HA       SER  51 -43.847  -2.241  -2.604
  441   1HB   SER  51           HB1      SER  51 -42.164  -3.199  -0.284
  442   2HB   SER  51           HB2      SER  51 -41.350  -2.918  -1.835
  443    HG   SER  51           HG1      SER  51 -42.190  -4.808  -2.297
  444    H    LYS  52           HN       LYS  52 -45.453  -3.303  -1.371
  445    HA   LYS  52           HA       LYS  52 -46.573  -1.613   0.718
  446   1HB   LYS  52           HB1      LYS  52 -48.171  -3.803   0.776
  447   2HB   LYS  52           HB2      LYS  52 -47.375  -4.130  -0.754
  448   1HG   LYS  52           HG1      LYS  52 -48.739  -1.489  -0.088
  449   2HG   LYS  52           HG2      LYS  52 -49.524  -2.796  -0.956
  450   1HD   LYS  52           HD1      LYS  52 -48.641  -1.983  -2.867
  451   2HD   LYS  52           HD2      LYS  52 -47.047  -2.410  -2.267
  452   1HE   LYS  52           HE1      LYS  52 -47.149  -0.013  -2.855
  453   2HE   LYS  52           HE2      LYS  52 -46.884  -0.219  -1.130
  454   1HZ   LYS  52           HZ1      LYS  52 -49.634  -0.195  -1.567
  455   2HZ   LYS  52           HZ2      LYS  52 -48.975   1.116  -2.424
  456   3HZ   LYS  52           HZ3      LYS  52 -48.690   0.962  -0.757
  457    H    ALA  53           HN       ALA  53 -43.981  -3.101   1.127
  458    HA   ALA  53           HA       ALA  53 -44.102  -5.244   2.869
  459   1HB   ALA  53           HB1      ALA  53 -41.979  -4.124   2.210
  460   2HB   ALA  53           HB2      ALA  53 -42.062  -4.256   3.963
  461   3HB   ALA  53           HB3      ALA  53 -42.402  -2.717   3.179
  462    H    HIS  54           HN       HIS  54 -43.609  -2.078   4.368
  463    HA   HIS  54           HA       HIS  54 -46.002  -2.383   6.009
  464   1HB   HIS  54           HB1      HIS  54 -44.743  -3.727   7.434
  465   2HB   HIS  54           HB2      HIS  54 -44.304  -2.155   8.085
  466    HD1  HIS  54           HD1      HIS  54 -42.837  -5.051   6.578
  467    HD2  HIS  54           HD2      HIS  54 -41.717  -1.140   6.978
  468    HE1  HIS  54           HE1      HIS  54 -40.414  -5.025   6.230
  469    H    SER  55           HN       SER  55 -46.580  -0.358   5.317
  470    HA   SER  55           HA       SER  55 -45.206   1.849   6.712
  471   1HB   SER  55           HB1      SER  55 -44.034   2.073   4.630
  472   2HB   SER  55           HB2      SER  55 -45.430   3.135   4.366
  473    HG   SER  55           HG1      SER  55 -45.002   0.486   3.507
  474    H    LYS  56           HN       LYS  56 -47.323   1.509   7.814
  475    HA   LYS  56           HA       LYS  56 -49.748   2.257   6.388
  476   1HB   LYS  56           HB1      LYS  56 -50.693   2.313   8.767
  477   2HB   LYS  56           HB2      LYS  56 -49.071   1.962   9.353
  478   1HG   LYS  56           HG1      LYS  56 -49.028  -0.164   8.242
  479   2HG   LYS  56           HG2      LYS  56 -50.463   0.223   7.298
  480   1HD   LYS  56           HD1      LYS  56 -51.004  -1.290   9.191
  481   2HD   LYS  56           HD2      LYS  56 -51.827   0.258   9.347
  482   1HE   LYS  56           HE1      LYS  56 -50.615  -0.694  11.444
  483   2HE   LYS  56           HE2      LYS  56 -50.368   1.001  11.049
  484   1HZ   LYS  56           HZ1      LYS  56 -48.348  -0.466  11.571
  485   2HZ   LYS  56           HZ2      LYS  56 -48.260   0.599  10.251
  486   3HZ   LYS  56           HZ3      LYS  56 -48.544  -1.055   9.990
  487    H    LYS  57           HN       LYS  57 -47.888   4.224   5.939
  488    HA   LYS  57           HA       LYS  57 -47.855   6.411   7.690
  489   1HB   LYS  57           HB1      LYS  57 -47.612   7.773   5.518
  490   2HB   LYS  57           HB2      LYS  57 -47.888   6.271   4.644
  491   1HG   LYS  57           HG1      LYS  57 -45.978   5.347   6.213
  492   2HG   LYS  57           HG2      LYS  57 -45.563   7.049   6.385
  493   1HD   LYS  57           HD1      LYS  57 -45.630   7.172   3.822
  494   2HD   LYS  57           HD2      LYS  57 -45.672   5.412   3.839
  495   1HE   LYS  57           HE1      LYS  57 -43.366   5.890   3.690
  496   2HE   LYS  57           HE2      LYS  57 -43.603   5.599   5.409
  497   1HZ   LYS  57           HZ1      LYS  57 -44.106   8.217   5.234
  498   2HZ   LYS  57           HZ2      LYS  57 -42.927   8.040   4.025
  499   3HZ   LYS  57                 LYS  57 -42.589   7.559   5.617
   
  Start of MODEL          51
 Raw file had 499 H/Q atoms
  Start of MODEL   51
    1   1H    LYS   1           HT1      LYS   1 -12.151  -7.222 -11.358
    2   2H    LYS   1           HT2      LYS   1 -13.407  -8.073 -12.123
    3   3H    LYS   1           HT3      LYS   1 -11.826  -8.692 -12.143
    4    HA   LYS   1           HA       LYS   1 -13.393  -9.782 -10.548
    5   1HB   LYS   1           HB1      LYS   1 -11.676  -9.896  -8.771
    6   2HB   LYS   1           HB2      LYS   1 -10.936  -8.409  -9.345
    7   1HG   LYS   1           HG1      LYS   1 -11.271 -10.593 -11.351
    8   2HG   LYS   1           HG2      LYS   1 -10.064 -10.859 -10.099
    9   1HD   LYS   1           HD1      LYS   1 -10.116  -8.206 -11.511
   10   2HD   LYS   1           HD2      LYS   1  -9.414  -9.592 -12.336
   11   1HE   LYS   1           HE1      LYS   1  -7.836  -9.955 -10.538
   12   2HE   LYS   1           HE2      LYS   1  -8.630  -8.756  -9.527
   13   1HZ   LYS   1           HZ1      LYS   1  -7.458  -8.073 -12.152
   14   2HZ   LYS   1           HZ2      LYS   1  -6.550  -8.038 -10.717
   15   3HZ   LYS   1           HZ3      LYS   1  -7.901  -7.025 -10.892
   16    OH   TYR   2           OH       TYR   2 -10.460  -2.595 -11.039
   17    H    TYR   2           HN       TYR   2 -14.541  -7.160 -10.876
   18    HA   TYR   2           HA       TYR   2 -14.701  -6.115  -8.105
   19   1HB   TYR   2           HB1      TYR   2 -16.042  -4.301  -9.169
   20   2HB   TYR   2           HB2      TYR   2 -16.012  -5.174 -10.698
   21    HD1  TYR   2           HD2      TYR   2 -13.828  -3.542  -8.165
   22    HD2  TYR   2           HD1      TYR   2 -14.128  -5.006 -12.146
   23    HE1  TYR   2           HE2      TYR   2 -11.670  -2.511  -8.707
   24    HE2  TYR   2           HE1      TYR   2 -11.971  -3.978 -12.688
   25    HH   TYR   2           HH       TYR   2 -10.060  -2.295 -10.220
   26    H    ILE   3           HN       ILE   3 -15.716  -8.646  -8.307
   27    HA   ILE   3           HA       ILE   3 -18.680  -8.299  -8.394
   28    HB   ILE   3           HB       ILE   3 -17.065 -10.879  -8.133
   29   1HG1  ILE   3          HG11      ILE   3 -16.393  -9.688 -10.195
   30   2HG1  ILE   3          HG12      ILE   3 -18.081  -9.536 -10.664
   31   1HG2  ILE   3          HG21      ILE   3 -19.137 -11.929  -8.844
   32   2HG2  ILE   3          HG22      ILE   3 -19.835 -10.385  -9.320
   33   3HG2  ILE   3          HG23      ILE   3 -19.596 -10.757  -7.618
   34   1HD1  ILE   3           HD1      ILE   3 -18.311 -11.850 -11.038
   35   2HD1  ILE   3           HD2      ILE   3 -16.928 -12.249 -10.027
   36   3HD1  ILE   3           HD3      ILE   3 -16.681 -11.537 -11.619
   37    H    CYS   4           HN       CYS   4 -19.162  -7.457  -6.326
   38    HA   CYS   4           HA       CYS   4 -17.881  -8.094  -3.928
   39   1HB   CYS   4           HB1      CYS   4 -20.788  -7.483  -4.493
   40   2HB   CYS   4           HB2      CYS   4 -19.581  -6.407  -3.855
   41    H    GLU   5           HN       GLU   5 -17.446  -9.981  -3.114
   42    HA   GLU   5           HA       GLU   5 -18.639 -12.424  -3.849
   43   1HB   GLU   5           HB1      GLU   5 -17.470 -13.334  -1.839
   44   2HB   GLU   5           HB2      GLU   5 -17.225 -11.696  -1.243
   45   1HG   GLU   5           HG1      GLU   5 -15.647 -11.192  -2.887
   46   2HG   GLU   5           HG2      GLU   5 -16.295 -12.378  -4.018
   47    H    GLU   6           HN       GLU   6 -19.722 -10.059  -1.558
   48    HA   GLU   6           HA       GLU   6 -21.422 -11.934  -0.135
   49   1HB   GLU   6           HB1      GLU   6 -21.764  -8.932  -0.074
   50   2HB   GLU   6           HB2      GLU   6 -20.357  -9.658   0.690
   51   1HG   GLU   6           HG1      GLU   6 -23.165 -10.631   1.266
   52   2HG   GLU   6           HG2      GLU   6 -22.423  -9.328   2.190
   53    H    CYS   7           HN       CYS   7 -22.234  -8.976  -1.942
   54    HA   CYS   7           HA       CYS   7 -24.927 -10.003  -2.434
   55   1HB   CYS   7           HB1      CYS   7 -25.355  -7.875  -3.419
   56   2HB   CYS   7           HB2      CYS   7 -23.676  -7.612  -3.792
   57    H    GLY   8           HN       GLY   8 -22.219  -8.973  -4.489
   58   1HA   GLY   8           HA1      GLY   8 -23.217 -10.850  -6.598
   59   2HA   GLY   8           HA2      GLY   8 -21.512 -10.523  -6.316
   60    H    ILE   9           HN       ILE   9 -22.531  -7.623  -5.772
   61    HA   ILE   9           HA       ILE   9 -23.558  -6.568  -8.172
   62    HB   ILE   9           HB       ILE   9 -23.156  -5.436  -5.834
   63   1HG1  ILE   9          HG11      ILE   9 -22.963  -4.211  -8.558
   64   2HG1  ILE   9          HG12      ILE   9 -22.690  -3.174  -7.162
   65   1HG2  ILE   9          HG21      ILE   9 -21.074  -4.232  -5.581
   66   2HG2  ILE   9          HG22      ILE   9 -20.604  -4.514  -7.248
   67   3HG2  ILE   9          HG23      ILE   9 -20.586  -5.836  -6.088
   68   1HD1  ILE   9           HD1      ILE   9 -24.857  -3.491  -6.336
   69   2HD1  ILE   9           HD2      ILE   9 -25.058  -5.028  -7.173
   70   3HD1  ILE   9           HD3      ILE   9 -25.143  -3.518  -8.074
   71    NH1  ARG  10           NH1      ARG  10 -19.254 -11.577 -13.757
   72    NH2  ARG  10           NH2      ARG  10 -20.880 -11.706 -12.157
   73    H    ARG  10           HN       ARG  10 -22.727  -6.323 -10.131
   74    HA   ARG  10           HA       ARG  10 -19.810  -6.797 -10.477
   75   1HB   ARG  10           HB1      ARG  10 -22.051  -6.736 -12.554
   76   2HB   ARG  10           HB2      ARG  10 -21.501  -8.198 -11.749
   77   1HG   ARG  10           HG1      ARG  10 -19.120  -7.163 -12.644
   78   2HG   ARG  10           HG2      ARG  10 -20.217  -6.640 -13.914
   79   1HD   ARG  10           HD1      ARG  10 -19.293  -8.873 -14.424
   80   2HD   ARG  10           HD2      ARG  10 -21.032  -8.968 -14.161
   81    HE   ARG  10           HE       ARG  10 -19.617  -9.441 -11.698
   82   1HH1  ARG  10          HH11      ARG  10 -18.589 -11.024 -14.261
   83   2HH1  ARG  10          HH12      ARG  10 -19.345 -12.553 -13.957
   84   1HH2  ARG  10          HH21      ARG  10 -21.434 -11.250 -11.461
   85   2HH2  ARG  10          HH22      ARG  10 -20.999 -12.684 -12.330
   86    H    ABA  11           HN       ABU  11 -18.860  -4.839 -10.180
   87    HA   ABA  11           HA       ABU  11 -19.812  -2.595 -11.933
   88   1HB   ABA  11           HB1      ABU  11 -18.762  -1.098 -10.268
   89   2HB   ABA  11           HB2      ABU  11 -18.208  -2.476  -9.342
   90   1HG   ABA  11           HG1      ABU  11 -20.671  -3.178  -9.180
   91   2HG   ABA  11           HG2      ABU  11 -21.062  -1.575  -9.796
   92   3HG   ABA  11           HG3      ABU  11 -20.217  -1.748  -8.261
   93    H    LYS  12           HN       LYS  12 -18.580  -2.796 -13.697
   94    HA   LYS  12           HA       LYS  12 -15.908  -3.714 -13.765
   95   1HB   LYS  12           HB1      LYS  12 -15.890  -2.682 -16.051
   96   2HB   LYS  12           HB2      LYS  12 -17.386  -1.844 -15.664
   97   1HG   LYS  12           HG1      LYS  12 -17.797  -4.580 -14.991
   98   2HG   LYS  12           HG2      LYS  12 -17.011  -4.578 -16.562
   99   1HD   LYS  12           HD1      LYS  12 -19.423  -2.836 -15.948
  100   2HD   LYS  12           HD2      LYS  12 -19.563  -4.458 -16.608
  101   1HE   LYS  12           HE1      LYS  12 -18.186  -3.827 -18.544
  102   2HE   LYS  12           HE2      LYS  12 -17.964  -2.212 -17.884
  103   1HZ   LYS  12           HZ1      LYS  12 -19.679  -2.056 -19.450
  104   2HZ   LYS  12           HZ2      LYS  12 -20.450  -2.021 -17.936
  105   3HZ   LYS  12           HZ3      LYS  12 -20.466  -3.444 -18.865
  106    H    LYS  13           HN       LYS  13 -16.750  -1.150 -12.042
  107    HA   LYS  13           HA       LYS  13 -14.237   0.286 -12.715
  108   1HB   LYS  13           HB1      LYS  13 -15.420   2.428 -12.149
  109   2HB   LYS  13           HB2      LYS  13 -16.905   1.512 -11.915
  110   1HG   LYS  13           HG1      LYS  13 -16.935   0.829 -14.233
  111   2HG   LYS  13           HG2      LYS  13 -15.325   1.486 -14.503
  112   1HD   LYS  13           HD1      LYS  13 -16.105   3.744 -14.215
  113   2HD   LYS  13           HD2      LYS  13 -17.664   3.194 -13.610
  114   1HE   LYS  13           HE1      LYS  13 -16.854   2.204 -16.302
  115   2HE   LYS  13           HE2      LYS  13 -17.279   3.907 -16.186
  116   1HZ   LYS  13           HZ1      LYS  13 -19.201   2.561 -14.751
  117   2HZ   LYS  13           HZ2      LYS  13 -18.970   1.638 -16.157
  118   3HZ   LYS  13           HZ3      LYS  13 -19.378   3.281 -16.279
  119    HA   PRO  14           HA       PRO  14 -13.319  -0.311  -8.390
  120   1HB   PRO  14           HB1      PRO  14 -11.135   0.421  -8.420
  121   2HB   PRO  14           HB2      PRO  14 -11.717   2.059  -8.117
  122   1HG   PRO  14           HG1      PRO  14 -10.486   1.124 -10.505
  123   2HG   PRO  14           HG2      PRO  14 -11.294   2.678 -10.287
  124   1HD   PRO  14           HD1      PRO  14 -12.903   1.957 -11.752
  125   2HD   PRO  14           HD2      PRO  14 -12.208   0.325 -11.758
  126    H    SER  15           HN       SER  15 -13.456   3.207  -9.038
  127    HA   SER  15           HA       SER  15 -14.374   4.147  -6.630
  128   1HB   SER  15           HB1      SER  15 -14.096   5.713  -8.488
  129   2HB   SER  15           HB2      SER  15 -15.818   5.796  -8.067
  130    HG   SER  15           HG1      SER  15 -14.553   4.567 -10.230
  131    H    MET  16           HN       MET  16 -16.310   2.413  -9.015
  132    HA   MET  16           HA       MET  16 -18.791   2.805  -7.566
  133   1HB   MET  16           HB1      MET  16 -19.459   0.779  -9.096
  134   2HB   MET  16           HB2      MET  16 -17.867   0.996  -9.818
  135   1HG   MET  16           HG1      MET  16 -19.280   2.321 -11.144
  136   2HG   MET  16           HG2      MET  16 -18.479   3.450 -10.083
  137   1HE   MET  16           HE1      MET  16 -20.258   5.580 -10.291
  138   2HE   MET  16           HE2      MET  16 -21.799   5.064 -10.978
  139   3HE   MET  16           HE3      MET  16 -20.285   4.491 -11.678
  140    H    LEU  17           HN       LEU  17 -16.786  -0.127  -8.093
  141    HA   LEU  17           HA       LEU  17 -18.151  -1.689  -6.148
  142   1HB   LEU  17           HB1      LEU  17 -15.172  -1.924  -6.714
  143   2HB   LEU  17           HB2      LEU  17 -16.337  -2.357  -7.944
  144    HG   LEU  17           HG       LEU  17 -15.563  -4.327  -6.583
  145   1HD1  LEU  17          HD11      LEU  17 -16.088  -4.559  -4.283
  146   2HD1  LEU  17          HD12      LEU  17 -17.153  -3.165  -4.290
  147   3HD1  LEU  17          HD13      LEU  17 -15.416  -2.942  -4.431
  148   1HD2  LEU  17          HD21      LEU  17 -18.483  -3.966  -5.937
  149   2HD2  LEU  17          HD22      LEU  17 -17.642  -5.377  -6.560
  150   3HD2  LEU  17          HD23      LEU  17 -17.970  -4.013  -7.615
  151    H    LYS  18           HN       LYS  18 -15.082   0.034  -5.947
  152    HA   LYS  18           HA       LYS  18 -14.297  -0.245  -3.375
  153   1HB   LYS  18           HB1      LYS  18 -14.586   2.519  -4.635
  154   2HB   LYS  18           HB2      LYS  18 -13.380   1.360  -5.176
  155   1HG   LYS  18           HG1      LYS  18 -13.535   1.864  -2.245
  156   2HG   LYS  18           HG2      LYS  18 -12.880   3.162  -3.231
  157   1HD   LYS  18           HD1      LYS  18 -11.936   0.284  -3.458
  158   2HD   LYS  18           HD2      LYS  18 -11.177   1.444  -2.376
  159   1HE   LYS  18           HE1      LYS  18 -11.456   2.665  -4.971
  160   2HE   LYS  18           HE2      LYS  18 -10.703   1.090  -5.168
  161   1HZ   LYS  18           HZ1      LYS  18  -9.559   2.326  -2.942
  162   2HZ   LYS  18           HZ2      LYS  18  -9.557   3.451  -4.214
  163   3HZ   LYS  18           HZ3      LYS  18  -8.826   1.933  -4.423
  164    H    LYS  19           HN       LYS  19 -16.729   2.182  -4.348
  165    HA   LYS  19           HA       LYS  19 -17.351   2.904  -1.659
  166   1HB   LYS  19           HB1      LYS  19 -19.650   3.456  -3.142
  167   2HB   LYS  19           HB2      LYS  19 -18.403   3.433  -4.381
  168   1HG   LYS  19           HG1      LYS  19 -18.198   5.046  -1.812
  169   2HG   LYS  19           HG2      LYS  19 -18.761   5.704  -3.342
  170   1HD   LYS  19           HD1      LYS  19 -16.629   5.172  -4.410
  171   2HD   LYS  19           HD2      LYS  19 -16.059   4.378  -2.948
  172   1HE   LYS  19           HE1      LYS  19 -15.928   6.417  -1.751
  173   2HE   LYS  19           HE2      LYS  19 -16.972   7.256  -2.893
  174   1HZ   LYS  19           HZ1      LYS  19 -14.160   6.428  -3.254
  175   2HZ   LYS  19           HZ2      LYS  19 -14.825   7.986  -3.362
  176   3HZ   LYS  19           HZ3      LYS  19 -15.150   6.838  -4.570
  177    H    HIS  20           HN       HIS  20 -18.758   0.578  -3.911
  178    HA   HIS  20           HA       HIS  20 -21.050  -0.108  -2.390
  179   1HB   HIS  20           HB1      HIS  20 -19.319  -1.833  -4.207
  180   2HB   HIS  20           HB2      HIS  20 -20.743  -0.935  -4.705
  181    HD1  HIS  20           HD1      HIS  20 -22.815  -2.325  -4.527
  182    HD2  HIS  20           HD2      HIS  20 -19.854  -3.882  -2.205
  183    HE1  HIS  20           HE1      HIS  20 -23.739  -4.394  -3.593
  184    H    ILE  21           HN       ILE  21 -17.766  -1.524  -2.330
  185    HA   ILE  21           HA       ILE  21 -18.457  -3.473  -0.365
  186    HB   ILE  21           HB       ILE  21 -16.246  -3.166  -1.858
  187   1HG1  ILE  21          HG11      ILE  21 -16.661  -4.475   0.814
  188   2HG1  ILE  21          HG12      ILE  21 -15.060  -4.534   0.087
  189   1HG2  ILE  21          HG21      ILE  21 -15.262  -2.226   0.874
  190   2HG2  ILE  21          HG22      ILE  21 -15.680  -1.068  -0.374
  191   3HG2  ILE  21          HG23      ILE  21 -14.390  -2.216  -0.654
  192   1HD1  ILE  21           HD1      ILE  21 -17.638  -5.459  -1.231
  193   2HD1  ILE  21           HD2      ILE  21 -16.383  -6.505  -0.578
  194   3HD1  ILE  21           HD3      ILE  21 -16.046  -5.495  -1.979
  195    NH1  ARG  22           NH1      ARG  22 -17.630   5.053   3.162
  196    NH2  ARG  22           NH2      ARG  22 -16.225   6.306   1.866
  197    H    ARG  22           HN       ARG  22 -17.564  -0.098  -0.089
  198    HA   ARG  22           HA       ARG  22 -16.999  -0.186   2.749
  199   1HB   ARG  22           HB1      ARG  22 -17.613   2.334   2.565
  200   2HB   ARG  22           HB2      ARG  22 -17.899   2.038   0.857
  201   1HG   ARG  22           HG1      ARG  22 -15.618   1.441   0.470
  202   2HG   ARG  22           HG2      ARG  22 -15.289   1.271   2.189
  203   1HD   ARG  22           HD1      ARG  22 -14.726   3.534   0.740
  204   2HD   ARG  22           HD2      ARG  22 -14.988   3.522   2.482
  205    HE   ARG  22           HE       ARG  22 -17.301   3.950   0.644
  206   1HH1  ARG  22          HH11      ARG  22 -18.083   4.178   3.336
  207   2HH1  ARG  22          HH12      ARG  22 -17.785   5.827   3.776
  208   1HH2  ARG  22          HH21      ARG  22 -15.625   6.370   1.069
  209   2HH2  ARG  22          HH22      ARG  22 -16.357   7.101   2.459
  210    H    THR  23           HN       THR  23 -19.950  -0.009   0.886
  211    HA   THR  23           HA       THR  23 -21.646   0.970   2.949
  212    HB   THR  23           HB       THR  23 -22.522  -1.163   0.918
  213    HG1  THR  23           HG1      THR  23 -21.185   0.300  -0.132
  214   1HG2  THR  23          HG21      THR  23 -24.614  -0.307   1.494
  215   2HG2  THR  23          HG22      THR  23 -24.086   1.267   0.919
  216   3HG2  THR  23          HG23      THR  23 -23.874   0.831   2.611
  217    H    HIS  24           HN       HIS  24 -20.227  -2.191   2.473
  218    HA   HIS  24           HA       HIS  24 -22.061  -3.564   4.282
  219   1HB   HIS  24           HB1      HIS  24 -20.126  -5.314   4.259
  220   2HB   HIS  24           HB2      HIS  24 -19.321  -4.242   3.117
  221    HD1  HIS  24           HD1      HIS  24 -22.777  -5.732   3.336
  222    HD2  HIS  24           HD2      HIS  24 -19.905  -4.929   0.563
  223    HE1  HIS  24           HE1      HIS  24 -23.686  -6.529   1.183
  224    H    THR  25           HN       THR  25 -20.485  -1.083   5.128
  225    HA   THR  25           HA       THR  25 -18.998  -2.222   7.432
  226    HB   THR  25           HB       THR  25 -18.300   0.250   7.678
  227    HG1  THR  25           HG1      THR  25 -18.971   1.280   5.528
  228   1HG2  THR  25          HG21      THR  25 -16.722  -0.894   6.260
  229   2HG2  THR  25          HG22      THR  25 -17.313   0.385   5.207
  230   3HG2  THR  25          HG23      THR  25 -17.952  -1.248   5.053
  231    H    ASP  26           HN       ASP  26 -20.198   0.902   7.776
  232    HA   ASP  26           HA       ASP  26 -22.699   0.187   9.084
  233   1HB   ASP  26           HB1      ASP  26 -21.939   1.070  11.329
  234   2HB   ASP  26           HB2      ASP  26 -20.301   1.206  10.696
  235    H    VAL  27           HN       VAL  27 -21.668   1.850   6.981
  236    HA   VAL  27           HA       VAL  27 -22.178   4.580   8.047
  237    HB   VAL  27           HB       VAL  27 -20.127   4.211   6.701
  238   1HG1  VAL  27          HG11      VAL  27 -20.248   3.509   4.374
  239   2HG1  VAL  27          HG12      VAL  27 -22.005   3.471   4.435
  240   3HG1  VAL  27          HG13      VAL  27 -21.072   2.313   5.362
  241   1HG2  VAL  27          HG21      VAL  27 -22.046   6.216   6.296
  242   2HG2  VAL  27          HG22      VAL  27 -21.564   5.736   4.672
  243   3HG2  VAL  27          HG23      VAL  27 -20.353   6.286   5.822
  244    NH1  ARG  28           NH1      ARG  28 -25.590  -2.388   6.738
  245    NH2  ARG  28           NH2      ARG  28 -23.424  -1.941   7.312
  246    H    ARG  28           HN       ARG  28 -24.396   2.929   7.877
  247    HA   ARG  28           HA       ARG  28 -25.893   4.077   5.554
  248   1HB   ARG  28           HB1      ARG  28 -27.444   2.084   5.970
  249   2HB   ARG  28           HB2      ARG  28 -26.237   1.476   7.096
  250   1HG   ARG  28           HG1      ARG  28 -24.619   1.913   5.016
  251   2HG   ARG  28           HG2      ARG  28 -26.115   1.705   4.116
  252   1HD   ARG  28           HD1      ARG  28 -24.996  -0.469   4.376
  253   2HD   ARG  28           HD2      ARG  28 -26.495  -0.459   5.303
  254    HE   ARG  28           HE       ARG  28 -24.357   0.405   6.995
  255   1HH1  ARG  28          HH11      ARG  28 -26.464  -2.066   6.374
  256   2HH1  ARG  28          HH12      ARG  28 -25.488  -3.342   7.022
  257   1HH2  ARG  28          HH21      ARG  28 -22.675  -1.283   7.377
  258   2HH2  ARG  28          HH22      ARG  28 -23.287  -2.887   7.605
  259    HA   PRO  29           HA       PRO  29 -27.679   5.877   9.434
  260   1HB   PRO  29           HB1      PRO  29 -27.126   8.094   9.191
  261   2HB   PRO  29           HB2      PRO  29 -28.361   8.259   7.942
  262   1HG   PRO  29           HG1      PRO  29 -25.481   8.212   7.600
  263   2HG   PRO  29           HG2      PRO  29 -26.714   8.420   6.354
  264   1HD   PRO  29           HD1      PRO  29 -26.396   6.287   5.626
  265   2HD   PRO  29           HD2      PRO  29 -25.070   6.120   6.787
  266    OH   TYR  30           OH       TYR  30 -29.763  10.713   3.075
  267    H    TYR  30           HN       TYR  30 -28.856   5.501   6.188
  268    HA   TYR  30           HA       TYR  30 -31.617   6.204   6.860
  269   1HB   TYR  30           HB1      TYR  30 -32.073   5.233   4.558
  270   2HB   TYR  30           HB2      TYR  30 -30.379   4.770   4.460
  271    HD1  TYR  30           HD1      TYR  30 -32.500   7.775   5.168
  272    HD2  TYR  30           HD2      TYR  30 -28.861   6.301   3.531
  273    HE1  TYR  30           HE1      TYR  30 -31.936  10.030   4.386
  274    HE2  TYR  30           HE2      TYR  30 -28.299   8.555   2.750
  275    HH   TYR  30           HH       TYR  30 -28.957  10.655   2.558
  276    H    HIS  31           HN       HIS  31 -32.168   4.857   8.588
  277    HA   HIS  31           HA       HIS  31 -32.177   1.918   8.054
  278   1HB   HIS  31           HB1      HIS  31 -32.921   1.962  10.586
  279   2HB   HIS  31           HB2      HIS  31 -32.388   3.640  10.549
  280    HD1  HIS  31           HD1      HIS  31 -31.082   0.469  11.171
  281    HD2  HIS  31           HD2      HIS  31 -29.576   3.800   9.415
  282    HE1  HIS  31           HE1      HIS  31 -28.673   0.178  11.248
  283    H    CYS  32           HN       CYS  32 -34.063   0.847   7.685
  284    HA   CYS  32           HA       CYS  32 -36.457   2.233   7.112
  285   1HB   CYS  32           HB1      CYS  32 -35.807  -0.636   7.823
  286   2HB   CYS  32           HB2      CYS  32 -36.326   0.008   6.288
  287    H    THR  33           HN       THR  33 -38.410   2.470   8.289
  288    HA   THR  33           HA       THR  33 -37.944   2.828  11.171
  289    HB   THR  33           HB       THR  33 -40.600   3.283   9.724
  290    HG1  THR  33           HG1      THR  33 -38.586   4.111   8.682
  291   1HG2  THR  33          HG21      THR  33 -39.387   5.307  11.538
  292   2HG2  THR  33          HG22      THR  33 -39.733   3.784  12.350
  293   3HG2  THR  33          HG23      THR  33 -41.029   4.670  11.554
  294    OH   TYR  34           OH       TYR  34 -44.544   2.562   8.844
  295    H    TYR  34           HN       TYR  34 -38.299   0.136   9.748
  296    HA   TYR  34           HA       TYR  34 -40.125  -0.979  11.812
  297   1HB   TYR  34           HB1      TYR  34 -41.228  -2.427  10.127
  298   2HB   TYR  34           HB2      TYR  34 -40.216  -1.767   8.854
  299    HD1  TYR  34           HD2      TYR  34 -40.382   0.827   8.475
  300    HD2  TYR  34           HD1      TYR  34 -43.302  -1.421  10.597
  301    HE1  TYR  34           HE2      TYR  34 -42.046   2.572   8.038
  302    HE2  TYR  34           HE1      TYR  34 -44.960   0.333  10.165
  303    HH   TYR  34           HH       TYR  34 -44.729   3.000   9.678
  304    H    CYS  35           HN       CYS  35 -38.333  -2.161   8.983
  305    HA   CYS  35           HA       CYS  35 -37.413  -4.538  10.300
  306   1HB   CYS  35           HB1      CYS  35 -36.009  -4.815   8.330
  307   2HB   CYS  35           HB2      CYS  35 -36.096  -3.118   7.959
  308    H    ASN  36           HN       ASN  36 -34.709  -4.561   9.527
  309    HA   ASN  36           HA       ASN  36 -33.481  -2.580  11.398
  310   1HB   ASN  36           HB1      ASN  36 -32.536  -5.459  11.038
  311   2HB   ASN  36           HB2      ASN  36 -33.720  -5.025  12.268
  312   1HD2  ASN  36          HD21      ASN  36 -32.861  -4.382  14.238
  313   2HD2  ASN  36          HD22      ASN  36 -31.272  -3.834  14.479
  314    H    PHE  37           HN       PHE  37 -33.738  -3.444   8.317
  315    HA   PHE  37           HA       PHE  37 -30.929  -3.549   7.537
  316   1HB   PHE  37           HB1      PHE  37 -33.154  -2.794   5.640
  317   2HB   PHE  37           HB2      PHE  37 -33.141  -4.424   6.309
  318    HD1  PHE  37           HD2      PHE  37 -31.027  -5.828   6.028
  319    HD2  PHE  37           HD1      PHE  37 -31.642  -2.186   3.909
  320    HE1  PHE  37           HE2      PHE  37 -29.296  -6.475   4.410
  321    HE2  PHE  37           HE1      PHE  37 -29.905  -2.835   2.297
  322    HZ   PHE  37           HZ       PHE  37 -28.732  -4.979   2.546
  323    H    SER  38           HN       SER  38 -29.939  -1.927   6.133
  324    HA   SER  38           HA       SER  38 -31.120   0.768   6.324
  325   1HB   SER  38           HB1      SER  38 -28.246   0.292   7.215
  326   2HB   SER  38           HB2      SER  38 -29.590   0.264   8.367
  327    HG   SER  38           HG1      SER  38 -30.074   2.325   7.895
  328    H    PHE  39           HN       PHE  39 -30.127   2.313   4.931
  329    HA   PHE  39           HA       PHE  39 -28.447   1.083   2.779
  330   1HB   PHE  39           HB1      PHE  39 -29.810   2.177   1.141
  331   2HB   PHE  39           HB2      PHE  39 -30.517   3.259   2.341
  332    HD1  PHE  39           HD2      PHE  39 -32.098   2.317   4.070
  333    HD2  PHE  39           HD1      PHE  39 -30.740  -0.013   0.771
  334    HE1  PHE  39           HE2      PHE  39 -33.915   0.710   4.450
  335    HE2  PHE  39           HE1      PHE  39 -32.573  -1.604   1.147
  336    HZ   PHE  39           HZ       PHE  39 -34.163  -1.241   2.984
  337    H    LYS  40           HN       LYS  40 -27.139   2.575   1.586
  338    HA   LYS  40           HA       LYS  40 -26.014   4.659   3.311
  339   1HB   LYS  40           HB1      LYS  40 -25.293   3.486   0.588
  340   2HB   LYS  40           HB2      LYS  40 -24.465   3.222   2.107
  341   1HG   LYS  40           HG1      LYS  40 -24.555   5.859   0.584
  342   2HG   LYS  40           HG2      LYS  40 -23.181   4.776   0.690
  343   1HD   LYS  40           HD1      LYS  40 -23.278   5.046   3.208
  344   2HD   LYS  40           HD2      LYS  40 -24.446   6.335   2.956
  345   1HE   LYS  40           HE1      LYS  40 -21.597   6.229   1.928
  346   2HE   LYS  40           HE2      LYS  40 -22.253   7.350   3.115
  347   1HZ   LYS  40           HZ1      LYS  40 -23.872   7.945   1.212
  348   2HZ   LYS  40           HZ2      LYS  40 -22.681   7.264   0.212
  349   3HZ   LYS  40           HZ3      LYS  40 -22.298   8.585   1.208
  350    H    THR  41           HN       THR  41 -28.321   4.463   0.830
  351    HA   THR  41           HA       THR  41 -28.197   7.435   0.493
  352    HB   THR  41           HB       THR  41 -28.580   7.201  -1.880
  353    HG1  THR  41           HG1      THR  41 -29.810   5.598  -2.516
  354   1HG2  THR  41          HG21      THR  41 -26.306   6.112  -1.070
  355   2HG2  THR  41          HG22      THR  41 -26.884   5.619  -2.658
  356   3HG2  THR  41          HG23      THR  41 -27.130   4.568  -1.268
  357    H    LYS  42           HN       LYS  42 -30.189   8.444  -0.034
  358    HA   LYS  42           HA       LYS  42 -32.390   7.342   1.462
  359   1HB   LYS  42           HB1      LYS  42 -32.361   9.753  -0.410
  360   2HB   LYS  42           HB2      LYS  42 -31.816   9.820   1.262
  361   1HG   LYS  42           HG1      LYS  42 -33.950  10.040   1.978
  362   2HG   LYS  42           HG2      LYS  42 -34.388   8.537   1.186
  363   1HD   LYS  42           HD1      LYS  42 -35.744  10.398   0.301
  364   2HD   LYS  42           HD2      LYS  42 -34.702   9.743  -0.953
  365   1HE   LYS  42           HE1      LYS  42 -34.876  12.418  -0.297
  366   2HE   LYS  42           HE2      LYS  42 -33.523  11.682  -1.143
  367   1HZ   LYS  42           HZ1      LYS  42 -33.654  11.804   1.807
  368   2HZ   LYS  42           HZ2      LYS  42 -32.984  13.053   0.874
  369   3HZ   LYS  42           HZ3      LYS  42 -32.303  11.500   0.824
  370    H    GLY  43           HN       GLY  43 -31.372   7.258  -1.815
  371   1HA   GLY  43           HA1      GLY  43 -32.369   6.301  -3.719
  372   2HA   GLY  43           HA2      GLY  43 -33.894   6.954  -3.125
  373    H    ASN  44           HN       ASN  44 -31.605   4.306  -2.522
  374    HA   ASN  44           HA       ASN  44 -33.342   2.178  -2.850
  375   1HB   ASN  44           HB1      ASN  44 -31.842   1.083  -0.971
  376   2HB   ASN  44           HB2      ASN  44 -30.980   2.618  -0.988
  377   1HD2  ASN  44          HD21      ASN  44 -29.488   0.468  -1.771
  378   2HD2  ASN  44          HD22      ASN  44 -29.268   0.450  -3.453
  379    H    LEU  45           HN       LEU  45 -32.871   4.130   0.058
  380    HA   LEU  45           HA       LEU  45 -34.488   2.619   1.810
  381   1HB   LEU  45           HB1      LEU  45 -34.023   5.645   1.625
  382   2HB   LEU  45           HB2      LEU  45 -33.090   4.510   2.577
  383    HG   LEU  45           HG       LEU  45 -34.544   5.537   4.153
  384   1HD1  LEU  45          HD11      LEU  45 -37.150   4.947   2.873
  385   2HD1  LEU  45          HD12      LEU  45 -36.195   6.152   2.029
  386   3HD1  LEU  45          HD13      LEU  45 -36.613   6.390   3.717
  387   1HD2  LEU  45          HD21      LEU  45 -35.824   3.717   5.016
  388   2HD2  LEU  45          HD22      LEU  45 -34.480   2.982   4.150
  389   3HD2  LEU  45          HD23      LEU  45 -36.078   3.026   3.421
  390    H    THR  46           HN       THR  46 -35.385   5.369  -0.261
  391    HA   THR  46           HA       THR  46 -38.156   5.350   0.373
  392    HB   THR  46           HB       THR  46 -36.715   6.159  -2.227
  393    HG1  THR  46           HG1      THR  46 -37.252   8.230  -1.047
  394   1HG2  THR  46          HG21      THR  46 -39.519   6.699  -1.101
  395   2HG2  THR  46          HG22      THR  46 -39.131   6.072  -2.700
  396   3HG2  THR  46          HG23      THR  46 -38.780   7.752  -2.303
  397    H    LYS  47           HN       LYS  47 -36.270   3.485  -1.928
  398    HA   LYS  47           HA       LYS  47 -38.512   2.383  -3.352
  399   1HB   LYS  47           HB1      LYS  47 -35.717   1.235  -2.875
  400   2HB   LYS  47           HB2      LYS  47 -36.160   2.308  -4.196
  401   1HG   LYS  47           HG1      LYS  47 -38.030   0.452  -4.609
  402   2HG   LYS  47           HG2      LYS  47 -36.872  -0.572  -3.769
  403   1HD   LYS  47           HD1      LYS  47 -36.088  -0.805  -5.940
  404   2HD   LYS  47           HD2      LYS  47 -35.155   0.602  -5.442
  405   1HE   LYS  47           HE1      LYS  47 -37.032   2.048  -6.358
  406   2HE   LYS  47           HE2      LYS  47 -37.737   0.585  -7.034
  407   1HZ   LYS  47           HZ1      LYS  47 -35.258   0.363  -7.926
  408   2HZ   LYS  47           HZ2      LYS  47 -35.373   2.056  -7.854
  409   3HZ   LYS  47           HZ3      LYS  47 -36.483   1.168  -8.783
  410    H    HIS  48           HN       HIS  48 -36.733   1.368  -0.476
  411    HA   HIS  48           HA       HIS  48 -38.013  -1.197  -0.242
  412   1HB   HIS  48           HB1      HIS  48 -36.676   0.645   1.800
  413   2HB   HIS  48           HB2      HIS  48 -35.968  -0.767   1.020
  414    HD1  HIS  48           HD1      HIS  48 -37.580  -2.986   1.585
  415    HD2  HIS  48           HD2      HIS  48 -37.611   0.052   4.322
  416    HE1  HIS  48           HE1      HIS  48 -38.402  -3.990   3.658
  417    H    MET  49           HN       MET  49 -38.886   2.036   0.765
  418    HA   MET  49           HA       MET  49 -41.057   1.146   2.494
  419   1HB   MET  49           HB1      MET  49 -41.698   3.631   2.330
  420   2HB   MET  49           HB2      MET  49 -40.321   3.837   1.253
  421   1HG   MET  49           HG1      MET  49 -39.534   4.391   3.419
  422   2HG   MET  49           HG2      MET  49 -38.879   2.819   3.045
  423   1HE   MET  49           HE1      MET  49 -38.482   3.995   5.497
  424   2HE   MET  49           HE2      MET  49 -39.345   3.371   6.904
  425   3HE   MET  49           HE3      MET  49 -39.977   4.765   6.027
  426    H    LYS  50           HN       LYS  50 -40.716   2.090  -0.864
  427    HA   LYS  50           HA       LYS  50 -43.492   2.449  -1.442
  428   1HB   LYS  50           HB1      LYS  50 -41.515   1.259  -3.416
  429   2HB   LYS  50           HB2      LYS  50 -41.345   2.932  -2.897
  430   1HG   LYS  50           HG1      LYS  50 -43.347   3.587  -3.895
  431   2HG   LYS  50           HG2      LYS  50 -44.041   1.973  -3.804
  432   1HD   LYS  50           HD1      LYS  50 -43.414   2.602  -6.138
  433   2HD   LYS  50           HD2      LYS  50 -42.532   1.189  -5.568
  434   1HE   LYS  50           HE1      LYS  50 -41.177   3.071  -6.744
  435   2HE   LYS  50           HE2      LYS  50 -40.539   2.414  -5.243
  436   1HZ   LYS  50           HZ1      LYS  50 -40.732   4.965  -5.592
  437   2HZ   LYS  50           HZ2      LYS  50 -41.083   4.279  -4.078
  438   3HZ   LYS  50           HZ3      LYS  50 -42.346   4.719  -5.124
  439    H    SER  51           HN       SER  51 -41.732  -0.339  -0.653
  440    HA   SER  51           HA       SER  51 -43.307  -2.240  -2.182
  441   1HB   SER  51           HB1      SER  51 -41.488  -2.502   0.270
  442   2HB   SER  51           HB2      SER  51 -41.121  -2.981  -1.399
  443    HG   SER  51           HG1      SER  51 -41.854  -4.761  -0.154
  444    H    LYS  52           HN       LYS  52 -45.010  -3.514  -1.487
  445    HA   LYS  52           HA       LYS  52 -46.874  -2.301   0.299
  446   1HB   LYS  52           HB1      LYS  52 -47.699  -3.833  -1.391
  447   2HB   LYS  52           HB2      LYS  52 -48.001  -4.625   0.152
  448   1HG   LYS  52           HG1      LYS  52 -45.718  -5.763  -0.158
  449   2HG   LYS  52           HG2      LYS  52 -45.772  -5.185  -1.820
  450   1HD   LYS  52           HD1      LYS  52 -48.071  -6.288  -1.995
  451   2HD   LYS  52           HD2      LYS  52 -47.722  -7.058  -0.450
  452   1HE   LYS  52           HE1      LYS  52 -46.180  -7.351  -3.044
  453   2HE   LYS  52           HE2      LYS  52 -47.047  -8.607  -2.171
  454   1HZ   LYS  52           HZ1      LYS  52 -44.843  -8.939  -1.606
  455   2HZ   LYS  52           HZ2      LYS  52 -45.452  -8.072  -0.278
  456   3HZ   LYS  52           HZ3      LYS  52 -44.515  -7.280  -1.453
  457    H    ALA  53           HN       ALA  53 -44.037  -3.727   1.077
  458    HA   ALA  53           HA       ALA  53 -44.503  -5.509   3.169
  459   1HB   ALA  53           HB1      ALA  53 -42.464  -3.233   3.036
  460   2HB   ALA  53           HB2      ALA  53 -42.228  -4.866   2.421
  461   3HB   ALA  53           HB3      ALA  53 -42.368  -4.588   4.155
  462    H    HIS  54           HN       HIS  54 -43.575  -2.216   4.058
  463    HA   HIS  54           HA       HIS  54 -46.016  -1.879   5.646
  464   1HB   HIS  54           HB1      HIS  54 -44.882  -3.079   7.317
  465   2HB   HIS  54           HB2      HIS  54 -44.356  -1.443   7.692
  466    HD1  HIS  54           HD1      HIS  54 -43.065  -4.639   6.565
  467    HD2  HIS  54           HD2      HIS  54 -41.651  -0.807   6.748
  468    HE1  HIS  54           HE1      HIS  54 -40.633  -4.823   6.326
  469    H    SER  55           HN       SER  55 -46.308   0.018   4.471
  470    HA   SER  55           HA       SER  55 -44.742   2.286   5.505
  471   1HB   SER  55           HB1      SER  55 -44.311   3.127   3.126
  472   2HB   SER  55           HB2      SER  55 -44.863   1.548   2.531
  473    HG   SER  55           HG1      SER  55 -42.650   2.182   4.152
  474    H    LYS  56           HN       LYS  56 -47.357   1.700   6.036
  475    HA   LYS  56           HA       LYS  56 -49.153   3.050   4.193
  476   1HB   LYS  56           HB1      LYS  56 -50.782   2.825   6.110
  477   2HB   LYS  56           HB2      LYS  56 -49.466   2.256   7.131
  478   1HG   LYS  56           HG1      LYS  56 -49.128   0.307   5.754
  479   2HG   LYS  56           HG2      LYS  56 -50.208   0.918   4.510
  480   1HD   LYS  56           HD1      LYS  56 -51.068   0.266   7.355
  481   2HD   LYS  56           HD2      LYS  56 -51.266  -0.829   5.994
  482   1HE   LYS  56           HE1      LYS  56 -53.320   0.191   5.849
  483   2HE   LYS  56           HE2      LYS  56 -52.417   1.400   4.948
  484   1HZ   LYS  56           HZ1      LYS  56 -52.279   1.810   7.772
  485   2HZ   LYS  56           HZ2      LYS  56 -53.876   1.837   7.194
  486   3HZ   LYS  56           HZ3      LYS  56 -52.718   2.891   6.538
  487    H    LYS  57           HN       LYS  57 -46.892   4.641   4.958
  488    HA   LYS  57           HA       LYS  57 -47.395   6.533   6.966
  489   1HB   LYS  57           HB1      LYS  57 -45.273   6.409   5.661
  490   2HB   LYS  57           HB2      LYS  57 -45.929   8.040   5.607
  491   1HG   LYS  57           HG1      LYS  57 -46.792   7.724   3.395
  492   2HG   LYS  57           HG2      LYS  57 -46.540   5.983   3.469
  493   1HD   LYS  57           HD1      LYS  57 -44.074   6.391   3.644
  494   2HD   LYS  57           HD2      LYS  57 -44.376   8.113   3.436
  495   1HE   LYS  57           HE1      LYS  57 -44.987   5.896   1.457
  496   2HE   LYS  57           HE2      LYS  57 -43.823   7.201   1.262
  497   1HZ   LYS  57           HZ1      LYS  57 -45.505   8.160   0.172
  498   2HZ   LYS  57           HZ2      LYS  57 -46.054   8.576   1.724
  499   3HZ   LYS  57                 LYS  57 -46.697   7.219   0.931
   
  Start of MODEL          52
 Raw file had 499 H/Q atoms
  Start of MODEL   52
    1   1H    LYS   1           HT1      LYS   1  -7.750  -3.991 -10.066
    2   2H    LYS   1           HT2      LYS   1  -8.905  -4.822 -10.992
    3   3H    LYS   1           HT3      LYS   1  -7.325  -5.430 -10.860
    4    HA   LYS   1           HA       LYS   1  -9.028  -6.597  -9.484
    5   1HB   LYS   1           HB1      LYS   1  -7.535  -6.393  -7.353
    6   2HB   LYS   1           HB2      LYS   1  -6.575  -5.246  -8.279
    7   1HG   LYS   1           HG1      LYS   1  -6.500  -7.081 -10.107
    8   2HG   LYS   1           HG2      LYS   1  -7.052  -8.176  -8.845
    9   1HD   LYS   1           HD1      LYS   1  -4.817  -8.395  -8.403
   10   2HD   LYS   1           HD2      LYS   1  -5.035  -6.877  -7.539
   11   1HE   LYS   1           HE1      LYS   1  -4.572  -5.725  -9.802
   12   2HE   LYS   1           HE2      LYS   1  -3.986  -7.293 -10.343
   13   1HZ   LYS   1           HZ1      LYS   1  -2.073  -6.439  -9.543
   14   2HZ   LYS   1           HZ2      LYS   1  -2.653  -7.113  -8.096
   15   3HZ   LYS   1           HZ3      LYS   1  -2.842  -5.451  -8.396
   16    OH   TYR   2           OH       TYR   2  -6.575  -0.331  -8.595
   17    H    TYR   2           HN       TYR   2 -10.994  -5.436  -9.323
   18    HA   TYR   2           HA       TYR   2 -11.248  -4.049  -6.731
   19   1HB   TYR   2           HB1      TYR   2 -12.389  -2.091  -7.760
   20   2HB   TYR   2           HB2      TYR   2 -12.146  -2.780  -9.365
   21    HD1  TYR   2           HD2      TYR   2 -10.309  -1.576  -6.357
   22    HD2  TYR   2           HD1      TYR   2 -10.100  -2.422 -10.518
   23    HE1  TYR   2           HE2      TYR   2  -8.084  -0.554  -6.451
   24    HE2  TYR   2           HE1      TYR   2  -7.875  -1.399 -10.616
   25    HH   TYR   2           HH       TYR   2  -6.004  -0.912  -9.103
   26    H    ILE   3           HN       ILE   3 -12.193  -6.512  -7.268
   27    HA   ILE   3           HA       ILE   3 -15.093  -6.148  -7.873
   28    HB   ILE   3           HB       ILE   3 -13.523  -8.751  -7.556
   29   1HG1  ILE   3          HG11      ILE   3 -13.450  -8.770 -10.082
   30   2HG1  ILE   3          HG12      ILE   3 -12.444  -7.542  -9.335
   31   1HG2  ILE   3          HG21      ILE   3 -15.741  -9.471  -7.619
   32   2HG2  ILE   3          HG22      ILE   3 -15.572  -9.234  -9.352
   33   3HG2  ILE   3          HG23      ILE   3 -16.320  -7.990  -8.365
   34   1HD1  ILE   3           HD1      ILE   3 -14.022  -6.894 -11.347
   35   2HD1  ILE   3           HD2      ILE   3 -13.839  -5.794  -9.986
   36   3HD1  ILE   3           HD3      ILE   3 -15.260  -6.824 -10.102
   37    H    CYS   4           HN       CYS   4 -16.015  -5.545  -5.913
   38    HA   CYS   4           HA       CYS   4 -15.183  -6.309  -3.362
   39   1HB   CYS   4           HB1      CYS   4 -17.909  -5.735  -4.504
   40   2HB   CYS   4           HB2      CYS   4 -16.951  -4.744  -3.445
   41    H    GLU   5           HN       GLU   5 -14.933  -8.192  -2.444
   42    HA   GLU   5           HA       GLU   5 -15.637 -10.665  -3.594
   43   1HB   GLU   5           HB1      GLU   5 -15.278 -11.472  -1.115
   44   2HB   GLU   5           HB2      GLU   5 -14.873  -9.790  -0.794
   45   1HG   GLU   5           HG1      GLU   5 -12.771 -10.631  -1.354
   46   2HG   GLU   5           HG2      GLU   5 -13.329 -10.096  -2.937
   47    H    GLU   6           HN       GLU   6 -17.556  -8.529  -1.652
   48    HA   GLU   6           HA       GLU   6 -19.450 -10.636  -0.956
   49   1HB   GLU   6           HB1      GLU   6 -19.926  -7.660  -0.633
   50   2HB   GLU   6           HB2      GLU   6 -18.831  -8.511   0.448
   51   1HG   GLU   6           HG1      GLU   6 -20.662 -10.117   0.995
   52   2HG   GLU   6           HG2      GLU   6 -21.754  -9.187  -0.028
   53    H    CYS   7           HN       CYS   7 -19.954  -7.480  -2.511
   54    HA   CYS   7           HA       CYS   7 -22.325  -8.486  -3.864
   55   1HB   CYS   7           HB1      CYS   7 -22.589  -6.268  -4.657
   56   2HB   CYS   7           HB2      CYS   7 -20.882  -5.938  -4.578
   57    H    GLY   8           HN       GLY   8 -19.133  -7.340  -4.915
   58   1HA   GLY   8           HA1      GLY   8 -19.459  -8.971  -7.397
   59   2HA   GLY   8           HA2      GLY   8 -17.909  -8.541  -6.682
   60    H    ILE   9           HN       ILE   9 -19.307  -5.805  -6.178
   61    HA   ILE   9           HA       ILE   9 -19.854  -4.584  -8.643
   62    HB   ILE   9           HB       ILE   9 -20.079  -3.663  -6.205
   63   1HG1  ILE   9          HG11      ILE   9 -20.660  -2.417  -8.284
   64   2HG1  ILE   9          HG12      ILE   9 -19.007  -1.829  -8.376
   65   1HG2  ILE   9          HG21      ILE   9 -17.493  -3.923  -5.887
   66   2HG2  ILE   9          HG22      ILE   9 -18.198  -2.414  -5.345
   67   3HG2  ILE   9          HG23      ILE   9 -17.339  -2.477  -6.876
   68   1HD1  ILE   9           HD1      ILE   9 -20.722  -0.280  -7.242
   69   2HD1  ILE   9           HD2      ILE   9 -19.232  -0.579  -6.354
   70   3HD1  ILE   9           HD3      ILE   9 -20.708  -1.426  -5.907
   71    NH1  ARG  10           NH1      ARG  10 -15.133  -6.658 -16.358
   72    NH2  ARG  10           NH2      ARG  10 -13.373  -5.262 -16.773
   73    H    ARG  10           HN       ARG  10 -18.645  -4.109 -10.343
   74    HA   ARG  10           HA       ARG  10 -15.703  -4.399 -10.091
   75   1HB   ARG  10           HB1      ARG  10 -17.457  -4.171 -12.581
   76   2HB   ARG  10           HB2      ARG  10 -16.970  -5.695 -11.851
   77   1HG   ARG  10           HG1      ARG  10 -14.536  -4.727 -12.084
   78   2HG   ARG  10           HG2      ARG  10 -15.268  -3.649 -13.267
   79   1HD   ARG  10           HD1      ARG  10 -16.219  -5.685 -14.421
   80   2HD   ARG  10           HD2      ARG  10 -15.279  -6.685 -13.315
   81    HE   ARG  10           HE       ARG  10 -13.283  -5.239 -14.293
   82   1HH1  ARG  10          HH11      ARG  10 -15.760  -7.073 -15.697
   83   2HH1  ARG  10          HH12      ARG  10 -15.213  -6.880 -17.329
   84   1HH2  ARG  10          HH21      ARG  10 -12.680  -4.631 -16.425
   85   2HH2  ARG  10          HH22      ARG  10 -13.423  -5.460 -17.752
   86    H    ABA  11           HN       ABU  11 -14.921  -2.479  -9.395
   87    HA   ABA  11           HA       ABU  11 -15.630  -0.051 -11.008
   88   1HB   ABA  11           HB1      ABU  11 -14.909   1.236  -9.004
   89   2HB   ABA  11           HB2      ABU  11 -14.507  -0.254  -8.174
   90   1HG   ABA  11           HG1      ABU  11 -17.137  -0.624  -9.092
   91   2HG   ABA  11           HG2      ABU  11 -17.098   1.026  -8.483
   92   3HG   ABA  11           HG3      ABU  11 -16.644  -0.311  -7.431
   93    H    LYS  12           HN       LYS  12 -14.116   0.094 -12.537
   94    HA   LYS  12           HA       LYS  12 -11.449  -0.828 -12.332
   95   1HB   LYS  12           HB1      LYS  12 -11.080   0.411 -14.404
   96   2HB   LYS  12           HB2      LYS  12 -12.451   1.463 -14.074
   97   1HG   LYS  12           HG1      LYS  12 -13.988  -0.453 -14.245
   98   2HG   LYS  12           HG2      LYS  12 -12.629  -1.537 -14.513
   99   1HD   LYS  12           HD1      LYS  12 -12.471   0.688 -16.348
  100   2HD   LYS  12           HD2      LYS  12 -14.059  -0.061 -16.465
  101   1HE   LYS  12           HE1      LYS  12 -12.488  -1.177 -17.993
  102   2HE   LYS  12           HE2      LYS  12 -12.976  -2.284 -16.716
  103   1HZ   LYS  12           HZ1      LYS  12 -10.947  -2.022 -15.620
  104   2HZ   LYS  12           HZ2      LYS  12 -10.523  -0.648 -16.524
  105   3HZ   LYS  12           HZ3      LYS  12 -10.534  -2.178 -17.260
  106    H    LYS  13           HN       LYS  13 -12.626   1.397 -10.364
  107    HA   LYS  13           HA       LYS  13 -10.057   2.879 -10.287
  108   1HB   LYS  13           HB1      LYS  13 -11.377   4.918  -9.625
  109   2HB   LYS  13           HB2      LYS  13 -12.858   3.996  -9.876
  110   1HG   LYS  13           HG1      LYS  13 -12.287   3.656 -12.234
  111   2HG   LYS  13           HG2      LYS  13 -10.745   4.473 -12.005
  112   1HD   LYS  13           HD1      LYS  13 -11.793   6.577 -11.627
  113   2HD   LYS  13           HD2      LYS  13 -13.369   5.835 -11.372
  114   1HE   LYS  13           HE1      LYS  13 -12.143   5.214 -13.986
  115   2HE   LYS  13           HE2      LYS  13 -12.530   6.915 -13.757
  116   1HZ   LYS  13           HZ1      LYS  13 -14.721   5.636 -12.805
  117   2HZ   LYS  13           HZ2      LYS  13 -14.279   4.679 -14.137
  118   3HZ   LYS  13           HZ3      LYS  13 -14.575   6.339 -14.344
  119    HA   PRO  14           HA       PRO  14 -10.235   1.358  -6.045
  120   1HB   PRO  14           HB1      PRO  14  -8.009   1.611  -5.497
  121   2HB   PRO  14           HB2      PRO  14  -8.328   3.296  -5.082
  122   1HG   PRO  14           HG1      PRO  14  -6.808   2.333  -7.310
  123   2HG   PRO  14           HG2      PRO  14  -7.256   4.007  -6.980
  124   1HD   PRO  14           HD1      PRO  14  -8.668   3.945  -8.773
  125   2HD   PRO  14           HD2      PRO  14  -8.311   2.223  -9.014
  126    H    SER  15           HN       SER  15 -10.367   4.769  -6.871
  127    HA   SER  15           HA       SER  15 -11.202   5.814  -4.387
  128   1HB   SER  15           HB1      SER  15 -10.715   7.147  -6.527
  129   2HB   SER  15           HB2      SER  15 -12.233   7.635  -5.748
  130    HG   SER  15           HG1      SER  15 -13.358   6.330  -7.143
  131    H    MET  16           HN       MET  16 -13.168   4.493  -7.032
  132    HA   MET  16           HA       MET  16 -15.637   4.755  -5.555
  133   1HB   MET  16           HB1      MET  16 -16.370   3.043  -7.438
  134   2HB   MET  16           HB2      MET  16 -14.766   3.351  -8.091
  135   1HG   MET  16           HG1      MET  16 -15.222   5.766  -8.094
  136   2HG   MET  16           HG2      MET  16 -16.811   5.476  -7.436
  137   1HE   MET  16           HE1      MET  16 -18.216   3.313  -8.944
  138   2HE   MET  16           HE2      MET  16 -18.980   4.294 -10.195
  139   3HE   MET  16           HE3      MET  16 -18.808   4.929  -8.558
  140    H    LEU  17           HN       LEU  17 -13.458   1.984  -6.209
  141    HA   LEU  17           HA       LEU  17 -15.121   0.091  -4.860
  142   1HB   LEU  17           HB1      LEU  17 -12.089  -0.066  -4.910
  143   2HB   LEU  17           HB2      LEU  17 -13.005  -0.288  -6.386
  144    HG   LEU  17           HG       LEU  17 -12.488  -2.466  -5.275
  145   1HD1  LEU  17          HD11      LEU  17 -12.655  -1.416  -2.920
  146   2HD1  LEU  17          HD12      LEU  17 -13.282  -3.045  -3.125
  147   3HD1  LEU  17          HD13      LEU  17 -14.386  -1.684  -3.053
  148   1HD2  LEU  17          HD21      LEU  17 -15.460  -2.201  -4.942
  149   2HD2  LEU  17          HD22      LEU  17 -14.527  -3.423  -5.790
  150   3HD2  LEU  17          HD23      LEU  17 -14.773  -1.845  -6.515
  151    H    LYS  18           HN       LYS  18 -12.177   1.760  -3.795
  152    HA   LYS  18           HA       LYS  18 -11.967   0.982  -1.188
  153   1HB   LYS  18           HB1      LYS  18 -11.227   3.386  -0.692
  154   2HB   LYS  18           HB2      LYS  18 -11.752   3.808  -2.315
  155   1HG   LYS  18           HG1      LYS  18  -9.554   3.281  -2.802
  156   2HG   LYS  18           HG2      LYS  18 -10.237   1.664  -2.926
  157   1HD   LYS  18           HD1      LYS  18  -8.480   1.255  -1.462
  158   2HD   LYS  18           HD2      LYS  18  -9.760   1.619  -0.310
  159   1HE   LYS  18           HE1      LYS  18  -9.009   4.002  -0.280
  160   2HE   LYS  18           HE2      LYS  18  -7.695   3.582  -1.370
  161   1HZ   LYS  18           HZ1      LYS  18  -8.115   2.438   1.335
  162   2HZ   LYS  18           HZ2      LYS  18  -6.977   3.633   0.933
  163   3HZ   LYS  18           HZ3      LYS  18  -6.833   2.069   0.285
  164    H    LYS  19           HN       LYS  19 -14.101   3.637  -2.272
  165    HA   LYS  19           HA       LYS  19 -15.256   3.982   0.327
  166   1HB   LYS  19           HB1      LYS  19 -16.342   4.697  -2.437
  167   2HB   LYS  19           HB2      LYS  19 -15.347   5.743  -1.430
  168   1HG   LYS  19           HG1      LYS  19 -17.386   5.026   0.295
  169   2HG   LYS  19           HG2      LYS  19 -18.226   5.158  -1.246
  170   1HD   LYS  19           HD1      LYS  19 -17.213   7.413  -1.576
  171   2HD   LYS  19           HD2      LYS  19 -16.444   7.280   0.002
  172   1HE   LYS  19           HE1      LYS  19 -19.228   6.642   0.294
  173   2HE   LYS  19           HE2      LYS  19 -19.096   8.159  -0.586
  174   1HZ   LYS  19           HZ1      LYS  19 -18.912   7.867   2.098
  175   2HZ   LYS  19           HZ2      LYS  19 -18.387   9.216   1.213
  176   3HZ   LYS  19           HZ3      LYS  19 -17.286   7.990   1.627
  177    H    HIS  20           HN       HIS  20 -16.152   2.071  -2.493
  178    HA   HIS  20           HA       HIS  20 -18.754   1.311  -1.674
  179   1HB   HIS  20           HB1      HIS  20 -16.644  -0.244  -3.224
  180   2HB   HIS  20           HB2      HIS  20 -17.916   0.738  -3.928
  181    HD1  HIS  20           HD1      HIS  20 -19.948  -0.623  -4.425
  182    HD2  HIS  20           HD2      HIS  20 -17.622  -2.506  -1.668
  183    HE1  HIS  20           HE1      HIS  20 -21.031  -2.779  -4.015
  184    H    ILE  21           HN       ILE  21 -15.600  -0.205  -0.979
  185    HA   ILE  21           HA       ILE  21 -16.781  -2.336   0.526
  186    HB   ILE  21           HB       ILE  21 -14.288  -1.990  -0.425
  187   1HG1  ILE  21          HG11      ILE  21 -15.329  -3.580   1.897
  188   2HG1  ILE  21          HG12      ILE  21 -13.607  -3.642   1.545
  189   1HG2  ILE  21          HG21      ILE  21 -13.898  -1.434   2.553
  190   2HG2  ILE  21          HG22      ILE  21 -13.979  -0.119   1.395
  191   3HG2  ILE  21          HG23      ILE  21 -12.708  -1.314   1.264
  192   1HD1  ILE  21           HD1      ILE  21 -14.821  -5.435   0.346
  193   2HD1  ILE  21           HD2      ILE  21 -14.106  -4.296  -0.789
  194   3HD1  ILE  21           HD3      ILE  21 -15.830  -4.228  -0.443
  195    NH1  ARG  22           NH1      ARG  22 -11.302   3.297   2.711
  196    NH2  ARG  22           NH2      ARG  22 -10.676   4.974   4.132
  197    H    ARG  22           HN       ARG  22 -15.853   0.924   1.348
  198    HA   ARG  22           HA       ARG  22 -15.893   0.545   4.212
  199   1HB   ARG  22           HB1      ARG  22 -16.336   3.100   4.158
  200   2HB   ARG  22           HB2      ARG  22 -16.303   2.971   2.404
  201   1HG   ARG  22           HG1      ARG  22 -14.033   1.914   2.576
  202   2HG   ARG  22           HG2      ARG  22 -14.068   2.211   4.310
  203   1HD   ARG  22           HD1      ARG  22 -14.746   4.686   3.297
  204   2HD   ARG  22           HD2      ARG  22 -13.594   4.101   2.097
  205    HE   ARG  22           HE       ARG  22 -12.998   4.550   4.976
  206   1HH1  ARG  22          HH11      ARG  22 -12.024   2.709   2.347
  207   2HH1  ARG  22          HH12      ARG  22 -10.365   3.206   2.375
  208   1HH2  ARG  22          HH21      ARG  22 -10.927   5.642   4.832
  209   2HH2  ARG  22          HH22      ARG  22  -9.727   4.911   3.819
  210    H    THR  23           HN       THR  23 -18.388   0.892   1.827
  211    HA   THR  23           HA       THR  23 -20.454   1.791   3.637
  212    HB   THR  23           HB       THR  23 -20.996   0.043   1.182
  213    HG1  THR  23           HG1      THR  23 -20.465   1.830  -0.027
  214   1HG2  THR  23          HG21      THR  23 -22.814   1.267   2.692
  215   2HG2  THR  23          HG22      THR  23 -22.900   1.532   0.953
  216   3HG2  THR  23          HG23      THR  23 -22.165   2.749   1.994
  217    H    HIS  24           HN       HIS  24 -19.103  -1.379   2.949
  218    HA   HIS  24           HA       HIS  24 -21.325  -2.872   4.083
  219   1HB   HIS  24           HB1      HIS  24 -19.460  -4.688   4.324
  220   2HB   HIS  24           HB2      HIS  24 -18.391  -3.523   3.551
  221    HD1  HIS  24           HD1      HIS  24 -21.815  -4.875   2.729
  222    HD2  HIS  24           HD2      HIS  24 -18.319  -3.927   0.876
  223    HE1  HIS  24           HE1      HIS  24 -22.162  -5.394   0.334
  224    H    THR  25           HN       THR  25 -19.668  -0.620   5.550
  225    HA   THR  25           HA       THR  25 -18.905  -2.080   7.991
  226    HB   THR  25           HB       THR  25 -18.301   0.313   8.727
  227    HG1  THR  25           HG1      THR  25 -19.667   0.666   6.326
  228   1HG2  THR  25          HG21      THR  25 -16.463  -0.713   7.503
  229   2HG2  THR  25          HG22      THR  25 -16.756   0.801   6.655
  230   3HG2  THR  25          HG23      THR  25 -17.382  -0.709   6.002
  231    H    ASP  26           HN       ASP  26 -20.105   0.962   8.592
  232    HA   ASP  26           HA       ASP  26 -22.847   0.090   9.190
  233   1HB   ASP  26           HB1      ASP  26 -22.457   1.068  11.604
  234   2HB   ASP  26           HB2      ASP  26 -20.744   0.819  11.272
  235    H    VAL  27           HN       VAL  27 -21.482   1.927   7.465
  236    HA   VAL  27           HA       VAL  27 -22.202   4.572   8.582
  237    HB   VAL  27           HB       VAL  27 -20.024   4.327   7.449
  238   1HG1  VAL  27          HG11      VAL  27 -21.630   3.552   4.997
  239   2HG1  VAL  27          HG12      VAL  27 -20.697   2.436   5.977
  240   3HG1  VAL  27          HG13      VAL  27 -19.879   3.709   5.086
  241   1HG2  VAL  27          HG21      VAL  27 -21.314   5.843   5.301
  242   2HG2  VAL  27          HG22      VAL  27 -20.198   6.400   6.544
  243   3HG2  VAL  27          HG23      VAL  27 -21.921   6.293   6.891
  244    NH1  ARG  28           NH2      ARG  28 -25.208  -1.798   2.467
  245    NH2  ARG  28           NH1      ARG  28 -24.895  -2.697   4.545
  246    H    ARG  28           HN       ARG  28 -24.375   2.969   8.142
  247    HA   ARG  28           HA       ARG  28 -25.668   4.139   5.711
  248   1HB   ARG  28           HB1      ARG  28 -27.307   2.169   6.128
  249   2HB   ARG  28           HB2      ARG  28 -26.094   1.544   7.236
  250   1HG   ARG  28           HG1      ARG  28 -24.503   2.020   5.127
  251   2HG   ARG  28           HG2      ARG  28 -26.014   1.784   4.259
  252   1HD   ARG  28           HD1      ARG  28 -26.329  -0.393   5.387
  253   2HD   ARG  28           HD2      ARG  28 -24.818  -0.160   6.264
  254    HE   ARG  28           HE       ARG  28 -23.866   0.020   3.784
  255   1HH1  ARG  28          HH21      ARG  28 -25.202  -0.995   1.872
  256   2HH1  ARG  28          HH22      ARG  28 -25.448  -2.694   2.095
  257   1HH2  ARG  28          HH11      ARG  28 -24.655  -2.567   5.506
  258   2HH2  ARG  28          HH12      ARG  28 -25.130  -3.608   4.206
  259    HA   PRO  29           HA       PRO  29 -27.633   6.091   9.450
  260   1HB   PRO  29           HB1      PRO  29 -27.264   8.323   9.072
  261   2HB   PRO  29           HB2      PRO  29 -28.377   8.305   7.704
  262   1HG   PRO  29           HG1      PRO  29 -25.458   8.341   7.657
  263   2HG   PRO  29           HG2      PRO  29 -26.574   8.484   6.298
  264   1HD   PRO  29           HD1      PRO  29 -26.198   6.325   5.694
  265   2HD   PRO  29           HD2      PRO  29 -24.947   6.231   6.944
  266    OH   TYR  30           OH       TYR  30 -29.595  10.628   2.924
  267    H    TYR  30           HN       TYR  30 -28.823   5.771   6.144
  268    HA   TYR  30           HA       TYR  30 -31.594   6.240   6.845
  269   1HB   TYR  30           HB1      TYR  30 -32.032   5.253   4.576
  270   2HB   TYR  30           HB2      TYR  30 -30.352   4.744   4.483
  271    HD1  TYR  30           HD1      TYR  30 -32.430   7.805   5.043
  272    HD2  TYR  30           HD2      TYR  30 -28.767   6.223   3.569
  273    HE1  TYR  30           HE1      TYR  30 -31.814  10.022   4.196
  274    HE2  TYR  30           HE2      TYR  30 -28.151   8.441   2.721
  275    HH   TYR  30           HH       TYR  30 -30.199  10.851   2.211
  276    H    HIS  31           HN       HIS  31 -32.529   4.969   8.323
  277    HA   HIS  31           HA       HIS  31 -32.226   1.992   8.035
  278   1HB   HIS  31           HB1      HIS  31 -33.083   2.191  10.562
  279   2HB   HIS  31           HB2      HIS  31 -32.467   3.834  10.427
  280    HD1  HIS  31           HD1      HIS  31 -31.336   0.626  11.235
  281    HD2  HIS  31           HD2      HIS  31 -29.622   3.815   9.408
  282    HE1  HIS  31           HE1      HIS  31 -28.947   0.239  11.418
  283    H    CYS  32           HN       CYS  32 -34.081   0.785   7.817
  284    HA   CYS  32           HA       CYS  32 -36.514   2.088   7.100
  285   1HB   CYS  32           HB1      CYS  32 -35.818  -0.731   7.967
  286   2HB   CYS  32           HB2      CYS  32 -36.263  -0.177   6.377
  287    H    THR  33           HN       THR  33 -38.431   2.422   8.236
  288    HA   THR  33           HA       THR  33 -38.072   2.916  11.087
  289    HB   THR  33           HB       THR  33 -40.487   3.166   9.201
  290    HG1  THR  33           HG1      THR  33 -39.674   5.112   9.012
  291   1HG2  THR  33          HG21      THR  33 -40.139   3.622  12.184
  292   2HG2  THR  33          HG22      THR  33 -41.588   3.110  11.324
  293   3HG2  THR  33          HG23      THR  33 -41.084   4.797  11.276
  294    OH   TYR  34           OH       TYR  34 -44.573   2.312   9.301
  295    H    TYR  34           HN       TYR  34 -38.255   0.117   9.723
  296    HA   TYR  34           HA       TYR  34 -39.848  -1.060  11.930
  297   1HB   TYR  34           HB1      TYR  34 -41.030  -2.572  10.375
  298   2HB   TYR  34           HB2      TYR  34 -40.146  -1.913   9.007
  299    HD1  TYR  34           HD2      TYR  34 -40.532   0.513   8.356
  300    HD2  TYR  34           HD1      TYR  34 -42.973  -1.460  11.227
  301    HE1  TYR  34           HE2      TYR  34 -42.268   2.214   8.047
  302    HE2  TYR  34           HE1      TYR  34 -44.704   0.250  10.921
  303    HH   TYR  34           HH       TYR  34 -45.076   2.371  10.118
  304    H    CYS  35           HN       CYS  35 -38.342  -2.354   8.977
  305    HA   CYS  35           HA       CYS  35 -37.214  -4.636  10.205
  306   1HB   CYS  35           HB1      CYS  35 -35.732  -4.739   8.251
  307   2HB   CYS  35           HB2      CYS  35 -35.982  -3.053   7.920
  308    H    ASN  36           HN       ASN  36 -34.568  -4.682   9.615
  309    HA   ASN  36           HA       ASN  36 -33.380  -2.660  11.471
  310   1HB   ASN  36           HB1      ASN  36 -32.586  -5.599  11.117
  311   2HB   ASN  36           HB2      ASN  36 -33.559  -4.995  12.456
  312   1HD2  ASN  36          HD21      ASN  36 -30.527  -5.977  11.924
  313   2HD2  ASN  36          HD22      ASN  36 -29.655  -4.908  12.913
  314    H    PHE  37           HN       PHE  37 -33.619  -3.445   8.403
  315    HA   PHE  37           HA       PHE  37 -30.802  -3.550   7.625
  316   1HB   PHE  37           HB1      PHE  37 -33.092  -2.864   5.762
  317   2HB   PHE  37           HB2      PHE  37 -32.939  -4.505   6.383
  318    HD1  PHE  37           HD2      PHE  37 -30.629  -5.662   6.087
  319    HD2  PHE  37           HD1      PHE  37 -31.784  -2.182   3.915
  320    HE1  PHE  37           HE2      PHE  37 -28.901  -6.132   4.405
  321    HE2  PHE  37           HE1      PHE  37 -30.054  -2.659   2.238
  322    HZ   PHE  37           HZ       PHE  37 -28.613  -4.633   2.482
  323    H    SER  38           HN       SER  38 -29.751  -1.934   6.352
  324    HA   SER  38           HA       SER  38 -30.964   0.766   6.496
  325   1HB   SER  38           HB1      SER  38 -28.067   0.304   7.295
  326   2HB   SER  38           HB2      SER  38 -29.365   0.226   8.493
  327    HG   SER  38           HG1      SER  38 -29.268   2.324   6.631
  328    H    PHE  39           HN       PHE  39 -30.101   2.263   5.036
  329    HA   PHE  39           HA       PHE  39 -28.440   1.046   2.865
  330   1HB   PHE  39           HB1      PHE  39 -29.854   2.101   1.272
  331   2HB   PHE  39           HB2      PHE  39 -30.451   3.270   2.449
  332    HD1  PHE  39           HD2      PHE  39 -31.886   2.381   4.392
  333    HD2  PHE  39           HD1      PHE  39 -31.028   0.050   0.934
  334    HE1  PHE  39           HE2      PHE  39 -33.798   0.927   4.897
  335    HE2  PHE  39           HE1      PHE  39 -32.949  -1.396   1.437
  336    HZ   PHE  39           HZ       PHE  39 -34.339  -0.954   3.416
  337    H    LYS  40           HN       LYS  40 -27.103   2.508   1.696
  338    HA   LYS  40           HA       LYS  40 -25.958   4.574   3.435
  339   1HB   LYS  40           HB1      LYS  40 -25.236   3.493   0.674
  340   2HB   LYS  40           HB2      LYS  40 -24.468   3.074   2.188
  341   1HG   LYS  40           HG1      LYS  40 -24.398   5.801   0.840
  342   2HG   LYS  40           HG2      LYS  40 -23.060   4.675   0.983
  343   1HD   LYS  40           HD1      LYS  40 -23.486   4.818   3.537
  344   2HD   LYS  40           HD2      LYS  40 -24.391   6.275   3.161
  345   1HE   LYS  40           HE1      LYS  40 -22.188   6.787   1.713
  346   2HE   LYS  40           HE2      LYS  40 -21.463   5.752   2.936
  347   1HZ   LYS  40           HZ1      LYS  40 -21.511   7.419   4.357
  348   2HZ   LYS  40           HZ2      LYS  40 -23.195   7.569   4.190
  349   3HZ   LYS  40           HZ3      LYS  40 -22.159   8.433   3.159
  350    H    THR  41           HN       THR  41 -28.193   4.406   0.860
  351    HA   THR  41           HA       THR  41 -28.052   7.383   0.570
  352    HB   THR  41           HB       THR  41 -28.487   7.148  -1.817
  353    HG1  THR  41           HG1      THR  41 -30.085   5.543  -1.484
  354   1HG2  THR  41          HG21      THR  41 -26.870   4.614  -1.218
  355   2HG2  THR  41          HG22      THR  41 -26.149   6.204  -0.985
  356   3HG2  THR  41          HG23      THR  41 -26.680   5.705  -2.588
  357    H    LYS  42           HN       LYS  42 -30.036   8.415   0.063
  358    HA   LYS  42           HA       LYS  42 -32.256   7.265   1.510
  359   1HB   LYS  42           HB1      LYS  42 -32.318   9.751  -0.242
  360   2HB   LYS  42           HB2      LYS  42 -31.584   9.766   1.358
  361   1HG   LYS  42           HG1      LYS  42 -33.713   9.007   2.351
  362   2HG   LYS  42           HG2      LYS  42 -34.449   8.957   0.753
  363   1HD   LYS  42           HD1      LYS  42 -34.510  11.272   0.558
  364   2HD   LYS  42           HD2      LYS  42 -33.136  11.505   1.633
  365   1HE   LYS  42           HE1      LYS  42 -34.429  11.288   3.556
  366   2HE   LYS  42           HE2      LYS  42 -35.641  10.296   2.756
  367   1HZ   LYS  42           HZ1      LYS  42 -36.444  12.528   3.248
  368   2HZ   LYS  42           HZ2      LYS  42 -36.431  12.222   1.577
  369   3HZ   LYS  42           HZ3      LYS  42 -35.223  13.193   2.273
  370    H    GLY  43           HN       GLY  43 -31.226   7.336  -1.756
  371   1HA   GLY  43           HA1      GLY  43 -32.226   6.497  -3.711
  372   2HA   GLY  43           HA2      GLY  43 -33.741   7.149  -3.092
  373    H    ASN  44           HN       ASN  44 -31.510   4.516  -2.224
  374    HA   ASN  44           HA       ASN  44 -33.198   2.377  -2.831
  375   1HB   ASN  44           HB1      ASN  44 -31.870   1.234  -0.873
  376   2HB   ASN  44           HB2      ASN  44 -31.029   2.774  -0.740
  377   1HD2  ASN  44          HD21      ASN  44 -29.403   0.729  -1.452
  378   2HD2  ASN  44          HD22      ASN  44 -29.038   0.761  -3.108
  379    H    LEU  45           HN       LEU  45 -33.242   4.513  -0.072
  380    HA   LEU  45           HA       LEU  45 -34.830   2.943   1.682
  381   1HB   LEU  45           HB1      LEU  45 -35.170   5.945   1.361
  382   2HB   LEU  45           HB2      LEU  45 -33.655   5.310   1.975
  383    HG   LEU  45           HG       LEU  45 -35.243   5.927   3.805
  384   1HD1  LEU  45          HD11      LEU  45 -36.967   3.605   2.905
  385   2HD1  LEU  45          HD12      LEU  45 -37.293   5.257   2.402
  386   3HD1  LEU  45          HD13      LEU  45 -37.332   4.832   4.109
  387   1HD2  LEU  45          HD21      LEU  45 -34.553   4.179   5.127
  388   2HD2  LEU  45          HD22      LEU  45 -33.613   3.769   3.703
  389   3HD2  LEU  45          HD23      LEU  45 -35.131   2.951   4.011
  390    H    THR  46           HN       THR  46 -35.897   5.575  -0.479
  391    HA   THR  46           HA       THR  46 -38.656   5.187  -0.222
  392    HB   THR  46           HB       THR  46 -37.127   5.903  -2.802
  393    HG1  THR  46           HG1      THR  46 -36.818   7.023  -0.651
  394   1HG2  THR  46          HG21      THR  46 -39.258   7.396  -3.019
  395   2HG2  THR  46          HG22      THR  46 -39.967   6.397  -1.753
  396   3HG2  THR  46          HG23      THR  46 -39.525   5.678  -3.297
  397    H    LYS  47           HN       LYS  47 -36.313   3.402  -2.118
  398    HA   LYS  47           HA       LYS  47 -38.164   1.924  -3.716
  399   1HB   LYS  47           HB1      LYS  47 -35.648   0.614  -2.695
  400   2HB   LYS  47           HB2      LYS  47 -35.468   2.077  -3.655
  401   1HG   LYS  47           HG1      LYS  47 -36.823   1.064  -5.459
  402   2HG   LYS  47           HG2      LYS  47 -37.018  -0.397  -4.496
  403   1HD   LYS  47           HD1      LYS  47 -34.508  -0.621  -4.452
  404   2HD   LYS  47           HD2      LYS  47 -34.415   0.735  -5.569
  405   1HE   LYS  47           HE1      LYS  47 -36.215  -0.772  -6.892
  406   2HE   LYS  47           HE2      LYS  47 -35.359  -2.054  -6.046
  407   1HZ   LYS  47           HZ1      LYS  47 -33.782  -1.907  -7.557
  408   2HZ   LYS  47           HZ2      LYS  47 -33.438  -0.325  -7.045
  409   3HZ   LYS  47           HZ3      LYS  47 -34.549  -0.587  -8.302
  410    H    HIS  48           HN       HIS  48 -36.757   1.275  -0.529
  411    HA   HIS  48           HA       HIS  48 -38.058  -1.287  -0.245
  412   1HB   HIS  48           HB1      HIS  48 -36.905   0.661   1.822
  413   2HB   HIS  48           HB2      HIS  48 -36.078  -0.721   1.114
  414    HD1  HIS  48           HD1      HIS  48 -38.079  -2.873   1.468
  415    HD2  HIS  48           HD2      HIS  48 -37.491  -0.092   4.403
  416    HE1  HIS  48           HE1      HIS  48 -38.847  -3.938   3.534
  417    H    MET  49           HN       MET  49 -39.134   1.947   0.030
  418    HA   MET  49           HA       MET  49 -41.385   1.243   1.808
  419   1HB   MET  49           HB1      MET  49 -42.013   3.649   1.499
  420   2HB   MET  49           HB2      MET  49 -40.750   3.821   0.286
  421   1HG   MET  49           HG1      MET  49 -40.166   4.598   2.633
  422   2HG   MET  49           HG2      MET  49 -39.037   3.527   1.856
  423   1HE   MET  49           HE1      MET  49 -40.317   4.523   5.014
  424   2HE   MET  49           HE2      MET  49 -41.091   3.148   5.804
  425   3HE   MET  49           HE3      MET  49 -41.860   3.914   4.412
  426    H    LYS  50           HN       LYS  50 -40.783   1.961  -1.588
  427    HA   LYS  50           HA       LYS  50 -43.331   2.313  -2.606
  428   1HB   LYS  50           HB1      LYS  50 -41.178   0.449  -3.728
  429   2HB   LYS  50           HB2      LYS  50 -41.258   2.184  -4.007
  430   1HG   LYS  50           HG1      LYS  50 -43.571   1.823  -4.988
  431   2HG   LYS  50           HG2      LYS  50 -43.268   0.092  -4.894
  432   1HD   LYS  50           HD1      LYS  50 -41.568   2.099  -6.412
  433   2HD   LYS  50           HD2      LYS  50 -42.698   0.961  -7.137
  434   1HE   LYS  50           HE1      LYS  50 -41.304  -0.828  -5.785
  435   2HE   LYS  50           HE2      LYS  50 -40.063   0.418  -5.796
  436   1HZ   LYS  50           HZ1      LYS  50 -41.417  -0.268  -8.306
  437   2HZ   LYS  50           HZ2      LYS  50 -40.210  -1.304  -7.709
  438   3HZ   LYS  50           HZ3      LYS  50 -39.843   0.318  -8.052
  439    H    SER  51           HN       SER  51 -41.804  -0.813  -1.884
  440    HA   SER  51           HA       SER  51 -44.044  -2.414  -2.605
  441   1HB   SER  51           HB1      SER  51 -42.216  -3.165  -0.294
  442   2HB   SER  51           HB2      SER  51 -41.552  -3.078  -1.938
  443    HG   SER  51           HG1      SER  51 -42.636  -4.804  -2.432
  444    H    LYS  52           HN       LYS  52 -45.797  -3.126  -1.458
  445    HA   LYS  52           HA       LYS  52 -46.688  -1.438   0.722
  446   1HB   LYS  52           HB1      LYS  52 -48.238  -2.482  -0.953
  447   2HB   LYS  52           HB2      LYS  52 -48.685  -2.921   0.692
  448   1HG   LYS  52           HG1      LYS  52 -47.928  -5.114   0.457
  449   2HG   LYS  52           HG2      LYS  52 -46.774  -4.689  -0.802
  450   1HD   LYS  52           HD1      LYS  52 -48.724  -5.943  -1.713
  451   2HD   LYS  52           HD2      LYS  52 -48.602  -4.327  -2.398
  452   1HE   LYS  52           HE1      LYS  52 -50.352  -3.495  -0.990
  453   2HE   LYS  52           HE2      LYS  52 -50.309  -4.927   0.030
  454   1HZ   LYS  52           HZ1      LYS  52 -52.102  -4.640  -1.824
  455   2HZ   LYS  52           HZ2      LYS  52 -51.432  -6.164  -1.486
  456   3HZ   LYS  52           HZ3      LYS  52 -50.878  -5.269  -2.819
  457    H    ALA  53           HN       ALA  53 -44.244  -2.902   1.270
  458    HA   ALA  53           HA       ALA  53 -44.628  -5.175   2.906
  459   1HB   ALA  53           HB1      ALA  53 -42.468  -4.356   4.031
  460   2HB   ALA  53           HB2      ALA  53 -42.589  -2.902   3.044
  461   3HB   ALA  53           HB3      ALA  53 -42.374  -4.472   2.276
  462    H    HIS  54           HN       HIS  54 -43.548  -2.236   4.497
  463    HA   HIS  54           HA       HIS  54 -45.978  -2.207   6.168
  464   1HB   HIS  54           HB1      HIS  54 -44.760  -3.706   7.515
  465   2HB   HIS  54           HB2      HIS  54 -44.275  -2.164   8.208
  466    HD1  HIS  54           HD1      HIS  54 -42.835  -5.093   6.862
  467    HD2  HIS  54           HD2      HIS  54 -41.700  -1.166   6.904
  468    HE1  HIS  54           HE1      HIS  54 -40.417  -5.105   6.477
  469    H    SER  55           HN       SER  55 -45.934  -0.169   4.835
  470    HA   SER  55           HA       SER  55 -44.256   1.922   6.172
  471   1HB   SER  55           HB1      SER  55 -45.625   1.948   3.425
  472   2HB   SER  55           HB2      SER  55 -43.884   1.760   3.708
  473    HG   SER  55           HG1      SER  55 -45.340   4.009   3.668
  474    H    LYS  56           HN       LYS  56 -47.196   2.256   4.243
  475    HA   LYS  56           HA       LYS  56 -48.654   3.167   6.667
  476   1HB   LYS  56           HB1      LYS  56 -49.388   5.220   5.474
  477   2HB   LYS  56           HB2      LYS  56 -48.452   4.755   4.060
  478   1HG   LYS  56           HG1      LYS  56 -46.367   4.901   5.349
  479   2HG   LYS  56           HG2      LYS  56 -47.270   5.269   6.812
  480   1HD   LYS  56           HD1      LYS  56 -46.815   7.434   6.183
  481   2HD   LYS  56           HD2      LYS  56 -48.246   7.211   5.189
  482   1HE   LYS  56           HE1      LYS  56 -45.381   6.743   4.294
  483   2HE   LYS  56           HE2      LYS  56 -46.383   8.116   3.845
  484   1HZ   LYS  56           HZ1      LYS  56 -46.739   6.777   2.076
  485   2HZ   LYS  56           HZ2      LYS  56 -47.984   6.205   3.079
  486   3HZ   LYS  56           HZ3      LYS  56 -46.528   5.340   2.956
  487    H    LYS  57           HN       LYS  57 -50.141   4.208   3.883
  488    HA   LYS  57           HA       LYS  57 -52.243   2.272   4.142
  489   1HB   LYS  57           HB1      LYS  57 -52.806   3.478   1.777
  490   2HB   LYS  57           HB2      LYS  57 -51.637   4.637   2.400
  491   1HG   LYS  57           HG1      LYS  57 -52.952   4.755   4.529
  492   2HG   LYS  57           HG2      LYS  57 -54.154   3.689   3.810
  493   1HD   LYS  57           HD1      LYS  57 -54.434   5.356   1.948
  494   2HD   LYS  57           HD2      LYS  57 -53.347   6.440   2.809
  495   1HE   LYS  57           HE1      LYS  57 -55.905   5.304   3.984
  496   2HE   LYS  57           HE2      LYS  57 -55.776   6.904   3.263
  497   1HZ   LYS  57           HZ1      LYS  57 -55.368   6.372   5.850
  498   2HZ   LYS  57           HZ2      LYS  57 -54.715   7.711   5.035
  499   3HZ   LYS  57                 LYS  57 -53.777   6.313   5.262
   
  Start of MODEL          53
 Raw file had 499 H/Q atoms
  Start of MODEL   53
    1   1H    LYS   1           HT1      LYS   1  -9.718  -4.021 -11.134
    2   2H    LYS   1           HT2      LYS   1 -10.972  -5.080 -10.701
    3   3H    LYS   1           HT3      LYS   1  -9.453  -5.696 -11.143
    4    HA   LYS   1           HA       LYS   1  -9.248  -5.864  -8.919
    5   1HB   LYS   1           HB1      LYS   1  -7.402  -4.430  -9.396
    6   2HB   LYS   1           HB2      LYS   1  -8.215  -3.590  -8.080
    7   1HG   LYS   1           HG1      LYS   1  -8.074  -1.819  -9.544
    8   2HG   LYS   1           HG2      LYS   1  -9.564  -2.520 -10.163
    9   1HD   LYS   1           HD1      LYS   1  -7.963  -3.973 -11.648
   10   2HD   LYS   1           HD2      LYS   1  -6.769  -2.737 -11.274
   11   1HE   LYS   1           HE1      LYS   1  -8.493  -1.016 -12.033
   12   2HE   LYS   1           HE2      LYS   1  -9.442  -2.363 -12.649
   13   1HZ   LYS   1           HZ1      LYS   1  -6.911  -2.794 -13.593
   14   2HZ   LYS   1           HZ2      LYS   1  -7.139  -1.120 -13.760
   15   3HZ   LYS   1           HZ3      LYS   1  -8.234  -2.201 -14.477
   16    OH   TYR   2           OH       TYR   2  -8.620   2.000  -8.459
   17    H    TYR   2           HN       TYR   2 -11.370  -3.269  -9.879
   18    HA   TYR   2           HA       TYR   2 -12.290  -2.855  -7.105
   19   1HB   TYR   2           HB1      TYR   2 -13.830  -1.208  -8.172
   20   2HB   TYR   2           HB2      TYR   2 -13.302  -1.738  -9.765
   21    HD1  TYR   2           HD2      TYR   2 -12.072  -0.243  -6.583
   22    HD2  TYR   2           HD1      TYR   2 -11.312  -0.848 -10.725
   23    HE1  TYR   2           HE2      TYR   2 -10.186   1.318  -6.466
   24    HE2  TYR   2           HE1      TYR   2  -9.423   0.712 -10.604
   25    HH   TYR   2           HH       TYR   2  -8.795   2.621  -7.748
   26    H    ILE   3           HN       ILE   3 -12.887  -5.198  -7.021
   27    HA   ILE   3           HA       ILE   3 -15.723  -5.502  -7.910
   28    HB   ILE   3           HB       ILE   3 -13.657  -7.750  -7.795
   29   1HG1  ILE   3          HG11      ILE   3 -13.024  -6.126  -9.538
   30   2HG1  ILE   3          HG12      ILE   3 -14.655  -6.179 -10.199
   31   1HG2  ILE   3          HG21      ILE   3 -16.356  -7.560  -9.225
   32   2HG2  ILE   3          HG22      ILE   3 -16.173  -8.244  -7.614
   33   3HG2  ILE   3          HG23      ILE   3 -15.387  -9.010  -8.987
   34   1HD1  ILE   3           HD1      ILE   3 -12.776  -7.713 -11.239
   35   2HD1  ILE   3           HD2      ILE   3 -14.398  -8.360 -11.010
   36   3HD1  ILE   3           HD3      ILE   3 -13.124  -8.746  -9.857
   37    H    CYS   4           HN       CYS   4 -16.830  -5.375  -6.038
   38    HA   CYS   4           HA       CYS   4 -15.841  -5.882  -3.471
   39   1HB   CYS   4           HB1      CYS   4 -18.597  -6.103  -4.665
   40   2HB   CYS   4           HB2      CYS   4 -17.973  -4.863  -3.613
   41    H    GLU   5           HN       GLU   5 -15.329  -7.623  -2.353
   42    HA   GLU   5           HA       GLU   5 -15.253 -10.197  -3.591
   43   1HB   GLU   5           HB1      GLU   5 -14.291 -10.942  -1.481
   44   2HB   GLU   5           HB2      GLU   5 -15.000  -9.582  -0.618
   45   1HG   GLU   5           HG1      GLU   5 -13.508  -8.028  -1.591
   46   2HG   GLU   5           HG2      GLU   5 -13.091  -9.120  -2.910
   47    H    GLU   6           HN       GLU   6 -17.720  -8.585  -1.873
   48    HA   GLU   6           HA       GLU   6 -19.023 -11.121  -1.139
   49   1HB   GLU   6           HB1      GLU   6 -19.967  -8.288  -0.567
   50   2HB   GLU   6           HB2      GLU   6 -18.861  -9.159   0.489
   51   1HG   GLU   6           HG1      GLU   6 -20.536 -10.962   0.761
   52   2HG   GLU   6           HG2      GLU   6 -21.642 -10.094  -0.301
   53    H    CYS   7           HN       CYS   7 -20.391  -8.062  -2.308
   54    HA   CYS   7           HA       CYS   7 -22.498  -9.470  -3.702
   55   1HB   CYS   7           HB1      CYS   7 -23.346  -7.359  -4.206
   56   2HB   CYS   7           HB2      CYS   7 -21.772  -6.648  -4.389
   57    H    GLY   8           HN       GLY   8 -19.384  -8.165  -4.670
   58   1HA   GLY   8           HA1      GLY   8 -19.732  -9.506  -7.276
   59   2HA   GLY   8           HA2      GLY   8 -18.234  -8.814  -6.671
   60    H    ILE   9           HN       ILE   9 -20.122  -6.410  -5.958
   61    HA   ILE   9           HA       ILE   9 -21.133  -5.224  -8.254
   62    HB   ILE   9           HB       ILE   9 -21.036  -4.371  -5.765
   63   1HG1  ILE   9          HG11      ILE   9 -21.067  -2.801  -8.309
   64   2HG1  ILE   9          HG12      ILE   9 -21.007  -1.901  -6.797
   65   1HG2  ILE   9          HG21      ILE   9 -18.424  -4.197  -5.973
   66   2HG2  ILE   9          HG22      ILE   9 -19.253  -2.834  -5.244
   67   3HG2  ILE   9          HG23      ILE   9 -18.721  -2.742  -6.917
   68   1HD1  ILE   9           HD1      ILE   9 -22.980  -4.157  -7.151
   69   2HD1  ILE   9           HD2      ILE   9 -23.348  -2.547  -7.761
   70   3HD1  ILE   9           HD3      ILE   9 -23.059  -2.793  -6.042
   71    NH1  ARG  10           NH1      ARG  10 -17.899  -4.960 -15.946
   72    NH2  ARG  10           NH2      ARG  10 -19.545  -6.544 -15.869
   73    H    ARG  10           HN       ARG  10 -20.336  -4.274 -10.029
   74    HA   ARG  10           HA       ARG  10 -17.378  -4.334 -10.371
   75   1HB   ARG  10           HB1      ARG  10 -19.572  -3.949 -12.462
   76   2HB   ARG  10           HB2      ARG  10 -18.910  -5.519 -12.025
   77   1HG   ARG  10           HG1      ARG  10 -16.744  -3.682 -12.542
   78   2HG   ARG  10           HG2      ARG  10 -17.858  -3.664 -13.905
   79   1HD   ARG  10           HD1      ARG  10 -16.619  -6.146 -12.664
   80   2HD   ARG  10           HD2      ARG  10 -16.167  -5.433 -14.212
   81    HE   ARG  10           HE       ARG  10 -18.457  -7.135 -13.753
   82   1HH1  ARG  10          HH11      ARG  10 -17.110  -4.524 -15.514
   83   2HH1  ARG  10          HH12      ARG  10 -18.221  -4.641 -16.837
   84   1HH2  ARG  10          HH21      ARG  10 -19.987  -7.295 -15.380
   85   2HH2  ARG  10          HH22      ARG  10 -19.894  -6.252 -16.759
   86    H    ABA  11           HN       ABU  11 -16.675  -2.434  -9.531
   87    HA   ABA  11           HA       ABU  11 -17.737   0.058 -10.817
   88   1HB   ABA  11           HB1      ABU  11 -16.914   1.120  -8.578
   89   2HB   ABA  11           HB2      ABU  11 -16.883  -0.520  -7.959
   90   1HG   ABA  11           HG1      ABU  11 -19.260  -0.808  -8.551
   91   2HG   ABA  11           HG2      ABU  11 -19.303   0.826  -9.204
   92   3HG   ABA  11           HG3      ABU  11 -19.060   0.573  -7.478
   93    H    LYS  12           HN       LYS  12 -16.046  -0.472 -12.383
   94    HA   LYS  12           HA       LYS  12 -13.344  -0.726 -12.064
   95   1HB   LYS  12           HB1      LYS  12 -13.259   1.010 -14.085
   96   2HB   LYS  12           HB2      LYS  12 -15.010   0.903 -13.990
   97   1HG   LYS  12           HG1      LYS  12 -14.606  -0.851 -15.451
   98   2HG   LYS  12           HG2      LYS  12 -14.495  -1.716 -13.924
   99   1HD   LYS  12           HD1      LYS  12 -12.045  -1.444 -13.927
  100   2HD   LYS  12           HD2      LYS  12 -12.136  -0.525 -15.426
  101   1HE   LYS  12           HE1      LYS  12 -11.582  -3.048 -15.610
  102   2HE   LYS  12           HE2      LYS  12 -12.826  -2.413 -16.681
  103   1HZ   LYS  12           HZ1      LYS  12 -13.157  -4.554 -15.160
  104   2HZ   LYS  12           HZ2      LYS  12 -14.437  -3.543 -15.634
  105   3HZ   LYS  12           HZ3      LYS  12 -13.738  -3.364 -14.097
  106    H    LYS  13           HN       LYS  13 -15.200   2.103 -11.192
  107    HA   LYS  13           HA       LYS  13 -12.734   3.687 -10.887
  108   1HB   LYS  13           HB1      LYS  13 -14.204   5.573 -10.521
  109   2HB   LYS  13           HB2      LYS  13 -15.558   4.521 -10.132
  110   1HG   LYS  13           HG1      LYS  13 -14.407   3.972 -12.779
  111   2HG   LYS  13           HG2      LYS  13 -15.039   5.606 -12.629
  112   1HD   LYS  13           HD1      LYS  13 -17.197   4.750 -11.866
  113   2HD   LYS  13           HD2      LYS  13 -16.575   3.104 -11.856
  114   1HE   LYS  13           HE1      LYS  13 -16.070   4.303 -14.431
  115   2HE   LYS  13           HE2      LYS  13 -17.772   4.481 -14.030
  116   1HZ   LYS  13           HZ1      LYS  13 -18.121   2.276 -14.101
  117   2HZ   LYS  13           HZ2      LYS  13 -16.584   1.884 -13.493
  118   3HZ   LYS  13           HZ3      LYS  13 -16.769   2.303 -15.129
  119    HA   PRO  14           HA       PRO  14 -12.302   2.786  -6.545
  120   1HB   PRO  14           HB1      PRO  14 -10.371   4.000  -6.172
  121   2HB   PRO  14           HB2      PRO  14 -11.378   5.392  -5.766
  122   1HG   PRO  14           HG1      PRO  14  -9.678   5.165  -8.028
  123   2HG   PRO  14           HG2      PRO  14 -10.890   6.418  -7.759
  124   1HD   PRO  14           HD1      PRO  14 -12.054   5.557  -9.535
  125   2HD   PRO  14           HD2      PRO  14 -10.962   4.161  -9.613
  126    H    SER  15           HN       SER  15 -13.166   6.238  -6.821
  127    HA   SER  15           HA       SER  15 -14.606   6.660  -4.546
  128   1HB   SER  15           HB1      SER  15 -14.454   8.437  -6.219
  129   2HB   SER  15           HB2      SER  15 -16.188   8.103  -6.043
  130    HG   SER  15           HG1      SER  15 -15.587   6.361  -7.713
  131    H    MET  16           HN       MET  16 -15.941   5.083  -7.436
  132    HA   MET  16           HA       MET  16 -18.538   4.649  -6.298
  133   1HB   MET  16           HB1      MET  16 -18.520   2.757  -8.139
  134   2HB   MET  16           HB2      MET  16 -16.961   3.439  -8.587
  135   1HG   MET  16           HG1      MET  16 -18.556   4.553  -9.936
  136   2HG   MET  16           HG2      MET  16 -18.078   5.688  -8.702
  137   1HE   MET  16           HE1      MET  16 -20.757   2.766  -8.993
  138   2HE   MET  16           HE2      MET  16 -20.710   3.751 -10.454
  139   3HE   MET  16           HE3      MET  16 -22.140   3.771  -9.422
  140    H    LEU  17           HN       LEU  17 -15.705   2.496  -6.601
  141    HA   LEU  17           HA       LEU  17 -17.005   0.368  -5.138
  142   1HB   LEU  17           HB1      LEU  17 -14.000   0.721  -5.459
  143   2HB   LEU  17           HB2      LEU  17 -14.992   0.255  -6.821
  144    HG   LEU  17           HG       LEU  17 -13.853  -1.662  -5.521
  145   1HD1  LEU  17          HD11      LEU  17 -14.412  -0.723  -3.259
  146   2HD1  LEU  17          HD12      LEU  17 -14.840  -2.413  -3.475
  147   3HD1  LEU  17          HD13      LEU  17 -16.088  -1.181  -3.552
  148   1HD2  LEU  17          HD21      LEU  17 -15.916  -3.126  -5.554
  149   2HD2  LEU  17          HD22      LEU  17 -15.617  -2.253  -7.048
  150   3HD2  LEU  17          HD23      LEU  17 -16.857  -1.701  -5.939
  151    H    LYS  18           HN       LYS  18 -14.222   2.419  -4.305
  152    HA   LYS  18           HA       LYS  18 -13.742   1.830  -1.711
  153   1HB   LYS  18           HB1      LYS  18 -13.383   4.319  -1.307
  154   2HB   LYS  18           HB2      LYS  18 -14.159   4.633  -2.856
  155   1HG   LYS  18           HG1      LYS  18 -12.194   4.256  -3.898
  156   2HG   LYS  18           HG2      LYS  18 -12.199   2.608  -3.290
  157   1HD   LYS  18           HD1      LYS  18 -10.154   3.720  -2.541
  158   2HD   LYS  18           HD2      LYS  18 -11.193   3.436  -1.149
  159   1HE   LYS  18           HE1      LYS  18 -11.289   5.651  -0.720
  160   2HE   LYS  18           HE2      LYS  18 -11.875   5.975  -2.347
  161   1HZ   LYS  18           HZ1      LYS  18  -9.878   7.137  -2.157
  162   2HZ   LYS  18           HZ2      LYS  18  -9.476   5.750  -3.053
  163   3HZ   LYS  18           HZ3      LYS  18  -9.078   5.842  -1.404
  164    H    LYS  19           HN       LYS  19 -16.499   3.855  -2.725
  165    HA   LYS  19           HA       LYS  19 -17.471   4.135  -0.032
  166   1HB   LYS  19           HB1      LYS  19 -19.656   4.422  -1.820
  167   2HB   LYS  19           HB2      LYS  19 -18.254   4.981  -2.717
  168   1HG   LYS  19           HG1      LYS  19 -17.658   6.504  -0.858
  169   2HG   LYS  19           HG2      LYS  19 -19.030   5.913   0.067
  170   1HD   LYS  19           HD1      LYS  19 -19.878   7.885  -0.917
  171   2HD   LYS  19           HD2      LYS  19 -20.464   6.621  -1.989
  172   1HE   LYS  19           HE1      LYS  19 -19.473   7.745  -3.685
  173   2HE   LYS  19           HE2      LYS  19 -17.925   7.266  -3.007
  174   1HZ   LYS  19           HZ1      LYS  19 -18.749   9.402  -1.494
  175   2HZ   LYS  19           HZ2      LYS  19 -19.130   9.830  -3.093
  176   3HZ   LYS  19           HZ3      LYS  19 -17.538   9.401  -2.685
  177    H    HIS  20           HN       HIS  20 -18.236   1.995  -2.733
  178    HA   HIS  20           HA       HIS  20 -20.470   0.684  -1.584
  179   1HB   HIS  20           HB1      HIS  20 -18.294  -0.407  -3.420
  180   2HB   HIS  20           HB2      HIS  20 -19.801   0.333  -3.951
  181    HD1  HIS  20           HD1      HIS  20 -21.671  -1.325  -4.140
  182    HD2  HIS  20           HD2      HIS  20 -18.633  -2.839  -1.892
  183    HE1  HIS  20           HE1      HIS  20 -22.353  -3.613  -3.594
  184    H    ILE  21           HN       ILE  21 -17.016  -0.207  -1.474
  185    HA   ILE  21           HA       ILE  21 -17.425  -2.512   0.138
  186    HB   ILE  21           HB       ILE  21 -15.240  -1.510  -1.098
  187   1HG1  ILE  21          HG11      ILE  21 -15.288  -3.217   1.416
  188   2HG1  ILE  21          HG12      ILE  21 -13.859  -3.026   0.409
  189   1HG2  ILE  21          HG21      ILE  21 -15.188   0.355   0.728
  190   2HG2  ILE  21          HG22      ILE  21 -13.682  -0.479   0.426
  191   3HG2  ILE  21          HG23      ILE  21 -14.651  -0.891   1.836
  192   1HD1  ILE  21           HD1      ILE  21 -16.044  -3.654  -1.332
  193   2HD1  ILE  21           HD2      ILE  21 -16.091  -4.793   0.009
  194   3HD1  ILE  21           HD3      ILE  21 -14.634  -4.639  -0.967
  195    NH1  ARG  22           NH1      ARG  22 -13.880   3.807   6.233
  196    NH2  ARG  22           NH2      ARG  22 -13.687   5.765   5.070
  197    H    ARG  22           HN       ARG  22 -17.203   0.888   0.953
  198    HA   ARG  22           HA       ARG  22 -16.956   0.391   3.823
  199   1HB   ARG  22           HB1      ARG  22 -17.716   2.903   3.857
  200   2HB   ARG  22           HB2      ARG  22 -17.630   2.820   2.103
  201   1HG   ARG  22           HG1      ARG  22 -15.280   2.254   2.172
  202   2HG   ARG  22           HG2      ARG  22 -15.324   2.042   3.916
  203   1HD   ARG  22           HD1      ARG  22 -16.175   4.685   2.774
  204   2HD   ARG  22           HD2      ARG  22 -14.453   4.323   2.876
  205    HE   ARG  22           HE       ARG  22 -16.296   4.422   5.227
  206   1HH1  ARG  22          HH11      ARG  22 -14.396   2.973   6.427
  207   2HH1  ARG  22          HH12      ARG  22 -13.022   3.987   6.716
  208   1HH2  ARG  22          HH21      ARG  22 -14.058   6.397   4.391
  209   2HH2  ARG  22          HH22      ARG  22 -12.826   5.978   5.533
  210    H    THR  23           HN       THR  23 -19.527   0.277   1.582
  211    HA   THR  23           HA       THR  23 -21.607   1.033   3.458
  212    HB   THR  23           HB       THR  23 -21.913  -0.740   0.954
  213    HG1  THR  23           HG1      THR  23 -22.019   1.249  -0.105
  214   1HG2  THR  23          HG21      THR  23 -23.749   0.888   2.727
  215   2HG2  THR  23          HG22      THR  23 -24.146  -0.476   1.692
  216   3HG2  THR  23          HG23      THR  23 -23.967   1.127   0.996
  217    H    HIS  24           HN       HIS  24 -19.688  -1.754   3.067
  218    HA   HIS  24           HA       HIS  24 -21.692  -3.617   4.158
  219   1HB   HIS  24           HB1      HIS  24 -19.498  -5.077   4.370
  220   2HB   HIS  24           HB2      HIS  24 -18.735  -3.784   3.452
  221    HD1  HIS  24           HD1      HIS  24 -21.610  -6.163   3.055
  222    HD2  HIS  24           HD2      HIS  24 -19.131  -3.902   0.741
  223    HE1  HIS  24           HE1      HIS  24 -22.086  -6.825   0.718
  224    H    THR  25           HN       THR  25 -20.238  -1.118   5.536
  225    HA   THR  25           HA       THR  25 -19.365  -2.517   7.999
  226    HB   THR  25           HB       THR  25 -18.722  -0.087   8.629
  227    HG1  THR  25           HG1      THR  25 -18.841   1.154   6.526
  228   1HG2  THR  25          HG21      THR  25 -17.718  -1.589   6.237
  229   2HG2  THR  25          HG22      THR  25 -16.791  -0.925   7.579
  230   3HG2  THR  25          HG23      THR  25 -17.314   0.125   6.265
  231    H    ASP  26           HN       ASP  26 -20.570   0.607   8.362
  232    HA   ASP  26           HA       ASP  26 -23.295  -0.148   9.060
  233   1HB   ASP  26           HB1      ASP  26 -23.022   0.522  11.478
  234   2HB   ASP  26           HB2      ASP  26 -21.288   0.694  11.217
  235    H    VAL  27           HN       VAL  27 -21.815   1.648   7.373
  236    HA   VAL  27           HA       VAL  27 -22.423   4.306   8.536
  237    HB   VAL  27           HB       VAL  27 -20.243   3.984   7.425
  238   1HG1  VAL  27          HG11      VAL  27 -21.860   3.296   4.956
  239   2HG1  VAL  27          HG12      VAL  27 -20.952   2.145   5.923
  240   3HG1  VAL  27          HG13      VAL  27 -20.106   3.409   5.043
  241   1HG2  VAL  27          HG21      VAL  27 -21.464   5.578   5.286
  242   2HG2  VAL  27          HG22      VAL  27 -20.302   6.065   6.516
  243   3HG2  VAL  27          HG23      VAL  27 -22.023   6.048   6.889
  244    NH1  ARG  28           NH1      ARG  28 -26.780  -2.041   6.859
  245    NH2  ARG  28           NH2      ARG  28 -24.608  -2.372   7.489
  246    H    ARG  28           HN       ARG  28 -24.666   2.816   8.034
  247    HA   ARG  28           HA       ARG  28 -25.852   4.084   5.604
  248   1HB   ARG  28           HB1      ARG  28 -27.576   2.188   5.926
  249   2HB   ARG  28           HB2      ARG  28 -26.457   1.514   7.105
  250   1HG   ARG  28           HG1      ARG  28 -24.691   1.799   5.175
  251   2HG   ARG  28           HG2      ARG  28 -26.108   1.832   4.136
  252   1HD   ARG  28           HD1      ARG  28 -25.296  -0.477   4.351
  253   2HD   ARG  28           HD2      ARG  28 -26.864  -0.324   5.143
  254    HE   ARG  28           HE       ARG  28 -24.592   0.105   6.938
  255   1HH1  ARG  28          HH11      ARG  28 -27.467  -1.454   6.432
  256   2HH1  ARG  28          HH12      ARG  28 -27.042  -2.934   7.223
  257   1HH2  ARG  28          HH21      ARG  28 -23.669  -2.033   7.533
  258   2HH2  ARG  28          HH22      ARG  28 -24.834  -3.271   7.864
  259    HA   PRO  29           HA       PRO  29 -27.816   6.086   9.314
  260   1HB   PRO  29           HB1      PRO  29 -27.272   8.290   8.993
  261   2HB   PRO  29           HB2      PRO  29 -28.376   8.383   7.622
  262   1HG   PRO  29           HG1      PRO  29 -25.468   8.259   7.578
  263   2HG   PRO  29           HG2      PRO  29 -26.568   8.457   6.212
  264   1HD   PRO  29           HD1      PRO  29 -26.263   6.292   5.597
  265   2HD   PRO  29           HD2      PRO  29 -25.056   6.124   6.881
  266    OH   TYR  30           OH       TYR  30 -29.404  10.586   2.863
  267    H    TYR  30           HN       TYR  30 -28.912   5.425   6.101
  268    HA   TYR  30           HA       TYR  30 -31.681   6.252   6.696
  269   1HB   TYR  30           HB1      TYR  30 -32.129   5.315   4.398
  270   2HB   TYR  30           HB2      TYR  30 -30.475   4.727   4.331
  271    HD1  TYR  30           HD1      TYR  30 -32.342   7.907   5.026
  272    HD2  TYR  30           HD2      TYR  30 -28.875   6.119   3.331
  273    HE1  TYR  30           HE1      TYR  30 -31.603  10.098   4.210
  274    HE2  TYR  30           HE2      TYR  30 -28.135   8.307   2.527
  275    HH   TYR  30           HH       TYR  30 -30.185  11.098   2.640
  276    H    HIS  31           HN       HIS  31 -32.253   4.937   8.453
  277    HA   HIS  31           HA       HIS  31 -32.293   1.988   7.964
  278   1HB   HIS  31           HB1      HIS  31 -32.906   1.964  10.470
  279   2HB   HIS  31           HB2      HIS  31 -32.618   3.701  10.470
  280    HD1  HIS  31           HD1      HIS  31 -30.848   0.597  10.637
  281    HD2  HIS  31           HD2      HIS  31 -29.880   4.436   9.761
  282    HE1  HIS  31           HE1      HIS  31 -28.427   0.682  10.798
  283    H    CYS  32           HN       CYS  32 -34.197   0.831   7.913
  284    HA   CYS  32           HA       CYS  32 -36.602   2.251   7.241
  285   1HB   CYS  32           HB1      CYS  32 -35.968  -0.632   7.967
  286   2HB   CYS  32           HB2      CYS  32 -36.375   0.016   6.398
  287    H    THR  33           HN       THR  33 -38.558   2.412   8.429
  288    HA   THR  33           HA       THR  33 -38.091   2.807  11.295
  289    HB   THR  33           HB       THR  33 -40.719   3.091   9.711
  290    HG1  THR  33           HG1      THR  33 -38.916   4.267   8.876
  291   1HG2  THR  33          HG21      THR  33 -41.125   3.359  12.125
  292   2HG2  THR  33          HG22      THR  33 -40.947   4.991  11.492
  293   3HG2  THR  33          HG23      THR  33 -39.608   4.227  12.340
  294    OH   TYR  34           OH       TYR  34 -44.756   2.236   9.566
  295    H    TYR  34           HN       TYR  34 -38.372   0.090   9.792
  296    HA   TYR  34           HA       TYR  34 -39.998  -1.155  11.953
  297   1HB   TYR  34           HB1      TYR  34 -41.105  -2.632  10.281
  298   2HB   TYR  34           HB2      TYR  34 -40.224  -1.843   8.978
  299    HD1  TYR  34           HD2      TYR  34 -40.668   0.602   8.507
  300    HD2  TYR  34           HD1      TYR  34 -43.084  -1.642  11.195
  301    HE1  TYR  34           HE2      TYR  34 -42.437   2.293   8.330
  302    HE2  TYR  34           HE1      TYR  34 -44.852   0.048  11.015
  303    HH   TYR  34           HH       TYR  34 -45.602   1.786   9.613
  304    H    CYS  35           HN       CYS  35 -38.209  -2.084   9.031
  305    HA   CYS  35           HA       CYS  35 -37.145  -4.480  10.256
  306   1HB   CYS  35           HB1      CYS  35 -35.862  -4.678   8.198
  307   2HB   CYS  35           HB2      CYS  35 -36.065  -2.987   7.843
  308    H    ASN  36           HN       ASN  36 -34.656  -4.779   9.904
  309    HA   ASN  36           HA       ASN  36 -33.334  -2.602  11.465
  310   1HB   ASN  36           HB1      ASN  36 -32.569  -5.551  11.128
  311   2HB   ASN  36           HB2      ASN  36 -33.408  -4.889  12.528
  312   1HD2  ASN  36          HD21      ASN  36 -30.318  -5.528  11.220
  313   2HD2  ASN  36          HD22      ASN  36 -29.400  -4.610  12.314
  314    H    PHE  37           HN       PHE  37 -33.737  -3.383   8.424
  315    HA   PHE  37           HA       PHE  37 -30.938  -3.467   7.537
  316   1HB   PHE  37           HB1      PHE  37 -33.249  -2.914   5.676
  317   2HB   PHE  37           HB2      PHE  37 -33.167  -4.502   6.438
  318    HD1  PHE  37           HD2      PHE  37 -30.972  -5.826   6.207
  319    HD2  PHE  37           HD1      PHE  37 -31.848  -2.397   3.840
  320    HE1  PHE  37           HE2      PHE  37 -29.264  -6.511   4.580
  321    HE2  PHE  37           HE1      PHE  37 -30.141  -3.088   2.213
  322    HZ   PHE  37           HZ       PHE  37 -28.848  -5.143   2.583
  323    H    SER  38           HN       SER  38 -30.020  -1.850   6.170
  324    HA   SER  38           HA       SER  38 -31.382   0.774   6.194
  325   1HB   SER  38           HB1      SER  38 -28.510   0.443   7.175
  326   2HB   SER  38           HB2      SER  38 -29.890   0.520   8.277
  327    HG   SER  38           HG1      SER  38 -29.534   2.400   6.205
  328    H    PHE  39           HN       PHE  39 -30.111   2.397   4.918
  329    HA   PHE  39           HA       PHE  39 -28.521   1.079   2.762
  330   1HB   PHE  39           HB1      PHE  39 -29.842   2.204   1.096
  331   2HB   PHE  39           HB2      PHE  39 -30.573   3.270   2.293
  332    HD1  PHE  39           HD2      PHE  39 -32.178   2.311   3.978
  333    HD2  PHE  39           HD1      PHE  39 -30.742  -0.002   0.702
  334    HE1  PHE  39           HE2      PHE  39 -33.965   0.671   4.351
  335    HE2  PHE  39           HE1      PHE  39 -32.544  -1.631   1.071
  336    HZ   PHE  39           HZ       PHE  39 -34.153  -1.297   2.898
  337    H    LYS  40           HN       LYS  40 -27.110   2.478   1.623
  338    HA   LYS  40           HA       LYS  40 -26.013   4.598   3.328
  339   1HB   LYS  40           HB1      LYS  40 -25.200   3.384   0.642
  340   2HB   LYS  40           HB2      LYS  40 -24.477   3.051   2.202
  341   1HG   LYS  40           HG1      LYS  40 -24.354   5.693   0.705
  342   2HG   LYS  40           HG2      LYS  40 -23.027   4.573   0.962
  343   1HD   LYS  40           HD1      LYS  40 -23.554   4.865   3.489
  344   2HD   LYS  40           HD2      LYS  40 -24.419   6.309   2.994
  345   1HE   LYS  40           HE1      LYS  40 -22.179   7.007   3.497
  346   2HE   LYS  40           HE2      LYS  40 -22.314   7.002   1.744
  347   1HZ   LYS  40           HZ1      LYS  40 -20.726   5.326   3.479
  348   2HZ   LYS  40           HZ2      LYS  40 -20.460   5.791   1.866
  349   3HZ   LYS  40           HZ3      LYS  40 -21.508   4.502   2.216
  350    H    THR  41           HN       THR  41 -28.251   4.377   0.800
  351    HA   THR  41           HA       THR  41 -28.034   7.326   0.360
  352    HB   THR  41           HB       THR  41 -28.347   7.021  -2.015
  353    HG1  THR  41           HG1      THR  41 -29.968   5.633  -2.178
  354   1HG2  THR  41          HG21      THR  41 -26.646   5.407  -2.677
  355   2HG2  THR  41          HG22      THR  41 -26.988   4.370  -1.295
  356   3HG2  THR  41          HG23      THR  41 -26.133   5.892  -1.064
  357    H    LYS  42           HN       LYS  42 -29.966   8.382  -0.232
  358    HA   LYS  42           HA       LYS  42 -32.257   7.365   1.195
  359   1HB   LYS  42           HB1      LYS  42 -31.868   9.814  -0.586
  360   2HB   LYS  42           HB2      LYS  42 -31.755   9.785   1.169
  361   1HG   LYS  42           HG1      LYS  42 -34.177   8.908   1.146
  362   2HG   LYS  42           HG2      LYS  42 -34.215   9.389  -0.546
  363   1HD   LYS  42           HD1      LYS  42 -33.584  11.210   1.803
  364   2HD   LYS  42           HD2      LYS  42 -35.082  11.205   0.881
  365   1HE   LYS  42           HE1      LYS  42 -33.398  11.504  -1.171
  366   2HE   LYS  42           HE2      LYS  42 -32.366  12.181   0.082
  367   1HZ   LYS  42           HZ1      LYS  42 -34.212  13.566  -1.254
  368   2HZ   LYS  42           HZ2      LYS  42 -33.652  13.977   0.295
  369   3HZ   LYS  42           HZ3      LYS  42 -35.102  13.111   0.119
  370    H    GLY  43           HN       GLY  43 -31.103   7.149  -2.003
  371   1HA   GLY  43           HA1      GLY  43 -32.071   6.261  -3.955
  372   2HA   GLY  43           HA2      GLY  43 -33.590   6.979  -3.422
  373    H    ASN  44           HN       ASN  44 -31.428   4.314  -2.493
  374    HA   ASN  44           HA       ASN  44 -33.221   2.221  -2.943
  375   1HB   ASN  44           HB1      ASN  44 -31.835   1.057  -1.072
  376   2HB   ASN  44           HB2      ASN  44 -30.979   2.587  -0.913
  377   1HD2  ASN  44          HD21      ASN  44 -32.200   1.124  -3.945
  378   2HD2  ASN  44          HD22      ASN  44 -30.671   0.957  -4.663
  379    H    LEU  45           HN       LEU  45 -32.807   4.237  -0.077
  380    HA   LEU  45           HA       LEU  45 -34.464   2.868   1.716
  381   1HB   LEU  45           HB1      LEU  45 -34.105   5.882   1.276
  382   2HB   LEU  45           HB2      LEU  45 -33.159   4.873   2.348
  383    HG   LEU  45           HG       LEU  45 -34.695   5.978   3.788
  384   1HD1  LEU  45          HD11      LEU  45 -36.307   6.341   1.578
  385   2HD1  LEU  45          HD12      LEU  45 -36.781   6.706   3.228
  386   3HD1  LEU  45          HD13      LEU  45 -37.239   5.176   2.500
  387   1HD2  LEU  45          HD21      LEU  45 -36.113   3.354   3.243
  388   2HD2  LEU  45          HD22      LEU  45 -35.925   4.190   4.778
  389   3HD2  LEU  45          HD23      LEU  45 -34.532   3.437   4.010
  390    H    THR  46           HN       THR  46 -35.397   5.392  -0.615
  391    HA   THR  46           HA       THR  46 -38.191   5.292  -0.051
  392    HB   THR  46           HB       THR  46 -36.859   5.924  -2.757
  393    HG1  THR  46           HG1      THR  46 -36.698   7.009  -0.283
  394   1HG2  THR  46          HG21      THR  46 -39.540   5.869  -2.242
  395   2HG2  THR  46          HG22      THR  46 -38.838   7.165  -3.206
  396   3HG2  THR  46          HG23      THR  46 -39.172   7.422  -1.497
  397    H    LYS  47           HN       LYS  47 -36.125   3.385  -2.133
  398    HA   LYS  47           HA       LYS  47 -38.180   2.071  -3.622
  399   1HB   LYS  47           HB1      LYS  47 -35.610   0.683  -2.810
  400   2HB   LYS  47           HB2      LYS  47 -35.530   2.091  -3.865
  401   1HG   LYS  47           HG1      LYS  47 -37.549   0.024  -4.578
  402   2HG   LYS  47           HG2      LYS  47 -35.862  -0.420  -4.811
  403   1HD   LYS  47           HD1      LYS  47 -35.494   1.597  -6.166
  404   2HD   LYS  47           HD2      LYS  47 -37.155   2.108  -5.888
  405   1HE   LYS  47           HE1      LYS  47 -38.031   0.498  -7.301
  406   2HE   LYS  47           HE2      LYS  47 -36.724  -0.637  -6.990
  407   1HZ   LYS  47           HZ1      LYS  47 -35.678   0.068  -8.779
  408   2HZ   LYS  47           HZ2      LYS  47 -35.706   1.676  -8.235
  409   3HZ   LYS  47           HZ3      LYS  47 -37.001   1.065  -9.148
  410    H    HIS  48           HN       HIS  48 -36.735   1.412  -0.476
  411    HA   HIS  48           HA       HIS  48 -38.091  -1.158  -0.204
  412   1HB   HIS  48           HB1      HIS  48 -36.680   0.656   1.821
  413   2HB   HIS  48           HB2      HIS  48 -35.991  -0.753   1.023
  414    HD1  HIS  48           HD1      HIS  48 -37.581  -2.976   1.573
  415    HD2  HIS  48           HD2      HIS  48 -37.680   0.057   4.314
  416    HE1  HIS  48           HE1      HIS  48 -38.406  -3.992   3.641
  417    H    MET  49           HN       MET  49 -38.606   2.132   1.021
  418    HA   MET  49           HA       MET  49 -40.877   1.457   2.647
  419   1HB   MET  49           HB1      MET  49 -41.374   4.016   2.222
  420   2HB   MET  49           HB2      MET  49 -39.824   4.013   1.388
  421   1HG   MET  49           HG1      MET  49 -39.272   4.587   3.593
  422   2HG   MET  49           HG2      MET  49 -38.875   2.894   3.475
  423   1HE   MET  49           HE1      MET  49 -38.620   2.865   6.147
  424   2HE   MET  49           HE2      MET  49 -39.816   3.644   7.182
  425   3HE   MET  49           HE3      MET  49 -38.943   4.590   5.976
  426    H    LYS  50           HN       LYS  50 -40.503   2.290  -0.736
  427    HA   LYS  50           HA       LYS  50 -43.227   2.814  -1.351
  428   1HB   LYS  50           HB1      LYS  50 -41.238   1.356  -3.148
  429   2HB   LYS  50           HB2      LYS  50 -41.153   3.090  -2.860
  430   1HG   LYS  50           HG1      LYS  50 -43.536   3.272  -3.656
  431   2HG   LYS  50           HG2      LYS  50 -43.473   1.566  -4.087
  432   1HD   LYS  50           HD1      LYS  50 -41.516   2.041  -5.561
  433   2HD   LYS  50           HD2      LYS  50 -41.667   3.752  -5.175
  434   1HE   LYS  50           HE1      LYS  50 -44.014   3.693  -6.055
  435   2HE   LYS  50           HE2      LYS  50 -43.753   2.024  -6.544
  436   1HZ   LYS  50           HZ1      LYS  50 -43.040   2.899  -8.440
  437   2HZ   LYS  50           HZ2      LYS  50 -41.623   3.308  -7.599
  438   3HZ   LYS  50           HZ3      LYS  50 -42.864   4.454  -7.780
  439    H    SER  51           HN       SER  51 -41.413  -0.222  -1.245
  440    HA   SER  51           HA       SER  51 -43.334  -1.965  -2.302
  441   1HB   SER  51           HB1      SER  51 -42.242  -3.703  -0.829
  442   2HB   SER  51           HB2      SER  51 -41.431  -2.401   0.065
  443    HG   SER  51           HG1      SER  51 -40.057  -2.947  -1.572
  444    H    LYS  52           HN       LYS  52 -45.070  -3.089  -1.469
  445    HA   LYS  52           HA       LYS  52 -46.584  -1.726   0.582
  446   1HB   LYS  52           HB1      LYS  52 -47.219  -4.550  -0.283
  447   2HB   LYS  52           HB2      LYS  52 -47.323  -3.269  -1.486
  448   1HG   LYS  52           HG1      LYS  52 -48.904  -2.032  -0.109
  449   2HG   LYS  52           HG2      LYS  52 -48.709  -3.177   1.213
  450   1HD   LYS  52           HD1      LYS  52 -49.607  -4.985  -0.232
  451   2HD   LYS  52           HD2      LYS  52 -49.825  -3.825  -1.538
  452   1HE   LYS  52           HE1      LYS  52 -51.465  -2.592  -0.292
  453   2HE   LYS  52           HE2      LYS  52 -51.082  -3.455   1.193
  454   1HZ   LYS  52           HZ1      LYS  52 -52.013  -4.953  -1.155
  455   2HZ   LYS  52           HZ2      LYS  52 -53.139  -4.123  -0.191
  456   3HZ   LYS  52           HZ3      LYS  52 -52.162  -5.332   0.494
  457    H    ALA  53           HN       ALA  53 -43.922  -3.289   1.105
  458    HA   ALA  53           HA       ALA  53 -44.293  -5.453   2.800
  459   1HB   ALA  53           HB1      ALA  53 -42.054  -4.548   2.281
  460   2HB   ALA  53           HB2      ALA  53 -42.250  -4.588   4.030
  461   3HB   ALA  53           HB3      ALA  53 -42.415  -3.066   3.160
  462    H    HIS  54           HN       HIS  54 -43.642  -2.332   4.331
  463    HA   HIS  54           HA       HIS  54 -46.085  -2.615   5.954
  464   1HB   HIS  54           HB1      HIS  54 -44.744  -3.751   7.472
  465   2HB   HIS  54           HB2      HIS  54 -44.361  -2.110   7.973
  466    HD1  HIS  54           HD1      HIS  54 -42.860  -5.029   6.421
  467    HD2  HIS  54           HD2      HIS  54 -41.779  -1.126   7.003
  468    HE1  HIS  54           HE1      HIS  54 -40.437  -4.962   6.080
  469    H    SER  55           HN       SER  55 -46.729  -0.695   4.972
  470    HA   SER  55           HA       SER  55 -45.756   1.694   6.350
  471   1HB   SER  55           HB1      SER  55 -45.620   1.595   3.288
  472   2HB   SER  55           HB2      SER  55 -44.197   1.413   4.332
  473    HG   SER  55           HG1      SER  55 -44.871   3.640   3.623
  474    H    LYS  56           HN       LYS  56 -48.096   1.066   6.896
  475    HA   LYS  56           HA       LYS  56 -50.042   1.950   4.854
  476   1HB   LYS  56           HB1      LYS  56 -51.715   1.309   6.644
  477   2HB   LYS  56           HB2      LYS  56 -50.380   0.940   7.723
  478   1HG   LYS  56           HG1      LYS  56 -50.322  -0.349   5.023
  479   2HG   LYS  56           HG2      LYS  56 -51.542  -0.933   6.145
  480   1HD   LYS  56           HD1      LYS  56 -48.753  -0.600   7.190
  481   2HD   LYS  56           HD2      LYS  56 -49.065  -1.953   6.110
  482   1HE   LYS  56           HE1      LYS  56 -49.422  -2.583   8.488
  483   2HE   LYS  56           HE2      LYS  56 -50.902  -2.719   7.549
  484   1HZ   LYS  56           HZ1      LYS  56 -51.054  -1.588   9.783
  485   2HZ   LYS  56           HZ2      LYS  56 -51.753  -0.773   8.467
  486   3HZ   LYS  56           HZ3      LYS  56 -50.245  -0.276   9.070
  487    H    LYS  57           HN       LYS  57 -51.022   2.612   8.011
  488    HA   LYS  57           HA       LYS  57 -51.594   5.318   7.535
  489   1HB   LYS  57           HB1      LYS  57 -52.246   5.375   9.808
  490   2HB   LYS  57           HB2      LYS  57 -50.915   4.342  10.316
  491   1HG   LYS  57           HG1      LYS  57 -51.981   2.387   9.591
  492   2HG   LYS  57           HG2      LYS  57 -52.993   3.248   8.439
  493   1HD   LYS  57           HD1      LYS  57 -54.513   3.920  10.063
  494   2HD   LYS  57           HD2      LYS  57 -53.312   3.885  11.348
  495   1HE   LYS  57           HE1      LYS  57 -55.120   1.989  11.261
  496   2HE   LYS  57           HE2      LYS  57 -53.449   1.550  11.588
  497   1HZ   LYS  57           HZ1      LYS  57 -53.179   0.642   9.537
  498   2HZ   LYS  57           HZ2      LYS  57 -54.347   1.633   8.804
  499   3HZ   LYS  57                 LYS  57 -54.831   0.322   9.769
   
  Start of MODEL          54
 Raw file had 499 H/Q atoms
  Start of MODEL   54
    1   1H    LYS   1           HT1      LYS   1  -7.473  -3.295  -7.122
    2   2H    LYS   1           HT2      LYS   1  -6.482  -3.363  -8.499
    3   3H    LYS   1           HT3      LYS   1  -6.932  -4.795  -7.706
    4    HA   LYS   1           HA       LYS   1  -8.277  -3.362  -9.746
    5   1HB   LYS   1           HB1      LYS   1  -9.580  -5.476  -9.836
    6   2HB   LYS   1           HB2      LYS   1  -8.950  -5.954  -8.264
    7   1HG   LYS   1           HG1      LYS   1  -6.628  -5.852  -9.240
    8   2HG   LYS   1           HG2      LYS   1  -7.354  -5.562 -10.817
    9   1HD   LYS   1           HD1      LYS   1  -8.576  -7.695 -10.665
   10   2HD   LYS   1           HD2      LYS   1  -7.905  -7.980  -9.063
   11   1HE   LYS   1           HE1      LYS   1  -5.662  -8.131  -9.947
   12   2HE   LYS   1           HE2      LYS   1  -6.191  -7.577 -11.531
   13   1HZ   LYS   1           HZ1      LYS   1  -6.138  -9.804 -11.871
   14   2HZ   LYS   1           HZ2      LYS   1  -7.741  -9.657 -11.330
   15   3HZ   LYS   1           HZ3      LYS   1  -6.531 -10.190 -10.265
   16    OH   TYR   2           OH       TYR   2  -6.824   2.687  -7.446
   17    H    TYR   2           HN       TYR   2  -9.868  -1.961  -9.505
   18    HA   TYR   2           HA       TYR   2 -11.282  -1.724  -6.945
   19   1HB   TYR   2           HB1      TYR   2 -12.382   0.200  -8.043
   20   2HB   TYR   2           HB2      TYR   2 -11.728  -0.285  -9.603
   21    HD1  TYR   2           HD2      TYR   2 -10.804   0.909  -6.218
   22    HD2  TYR   2           HD1      TYR   2  -9.468   0.253 -10.199
   23    HE1  TYR   2           HE2      TYR   2  -8.781   2.217  -5.755
   24    HE2  TYR   2           HE1      TYR   2  -7.435   1.540  -9.731
   25    HH   TYR   2           HH       TYR   2  -6.160   2.081  -7.108
   26    H    ILE   3           HN       ILE   3 -12.021  -4.088  -7.435
   27    HA   ILE   3           HA       ILE   3 -14.737  -3.890  -8.672
   28    HB   ILE   3           HB       ILE   3 -12.949  -6.363  -8.758
   29   1HG1  ILE   3          HG11      ILE   3 -11.838  -4.577 -10.014
   30   2HG1  ILE   3          HG12      ILE   3 -13.333  -4.207 -10.866
   31   1HG2  ILE   3          HG21      ILE   3 -15.264  -5.573 -10.581
   32   2HG2  ILE   3          HG22      ILE   3 -15.551  -6.408  -9.058
   33   3HG2  ILE   3          HG23      ILE   3 -14.595  -7.180 -10.319
   34   1HD1  ILE   3           HD1      ILE   3 -12.240  -7.011 -10.938
   35   2HD1  ILE   3           HD2      ILE   3 -11.562  -5.786 -12.006
   36   3HD1  ILE   3           HD3      ILE   3 -13.271  -6.196 -12.109
   37    H    CYS   4           HN       CYS   4 -16.083  -4.000  -6.940
   38    HA   CYS   4           HA       CYS   4 -15.455  -5.181  -4.462
   39   1HB   CYS   4           HB1      CYS   4 -18.077  -4.656  -5.852
   40   2HB   CYS   4           HB2      CYS   4 -17.365  -3.762  -4.540
   41    H    GLU   5           HN       GLU   5 -15.146  -7.187  -3.908
   42    HA   GLU   5           HA       GLU   5 -15.619  -9.367  -5.711
   43   1HB   GLU   5           HB1      GLU   5 -14.637 -10.738  -3.977
   44   2HB   GLU   5           HB2      GLU   5 -15.071  -9.580  -2.726
   45   1HG   GLU   5           HG1      GLU   5 -13.485  -7.955  -3.595
   46   2HG   GLU   5           HG2      GLU   5 -13.151  -8.969  -4.997
   47    H    GLU   6           HN       GLU   6 -17.660  -7.779  -3.531
   48    HA   GLU   6           HA       GLU   6 -19.286 -10.160  -3.022
   49   1HB   GLU   6           HB1      GLU   6 -20.033  -7.320  -2.263
   50   2HB   GLU   6           HB2      GLU   6 -18.801  -8.185  -1.356
   51   1HG   GLU   6           HG1      GLU   6 -20.953  -8.535  -0.265
   52   2HG   GLU   6           HG2      GLU   6 -20.454 -10.053  -1.004
   53    H    CYS   7           HN       CYS   7 -20.212  -6.885  -4.046
   54    HA   CYS   7           HA       CYS   7 -22.507  -7.917  -5.485
   55   1HB   CYS   7           HB1      CYS   7 -22.995  -5.652  -5.971
   56   2HB   CYS   7           HB2      CYS   7 -21.322  -5.183  -5.928
   57    H    GLY   8           HN       GLY   8 -19.337  -6.640  -6.390
   58   1HA   GLY   8           HA1      GLY   8 -19.729  -7.834  -9.092
   59   2HA   GLY   8           HA2      GLY   8 -18.170  -7.486  -8.357
   60    H    ILE   9           HN       ILE   9 -19.523  -4.835  -7.448
   61    HA   ILE   9           HA       ILE   9 -20.096  -3.346  -9.800
   62    HB   ILE   9           HB       ILE   9 -20.395  -2.779  -7.201
   63   1HG1  ILE   9          HG11      ILE   9 -19.971  -0.976  -9.555
   64   2HG1  ILE   9          HG12      ILE   9 -20.165  -0.242  -7.968
   65   1HG2  ILE   9          HG21      ILE   9 -17.764  -2.692  -7.032
   66   2HG2  ILE   9          HG22      ILE   9 -18.661  -1.385  -6.282
   67   3HG2  ILE   9          HG23      ILE   9 -17.900  -1.141  -7.849
   68   1HD1  ILE   9           HD1      ILE   9 -22.335  -0.565  -9.219
   69   2HD1  ILE   9           HD2      ILE   9 -22.297  -1.348  -7.643
   70   3HD1  ILE   9           HD3      ILE   9 -22.077  -2.303  -9.105
   71    NH1  ARG  10           NH2      ARG  10 -15.464  -3.818 -17.378
   72    NH2  ARG  10           NH1      ARG  10 -15.720  -1.561 -17.637
   73    H    ARG  10           HN       ARG  10 -18.825  -1.994 -11.054
   74    HA   ARG  10           HA       ARG  10 -15.879  -2.402 -10.751
   75   1HB   ARG  10           HB1      ARG  10 -17.328  -1.792 -13.350
   76   2HB   ARG  10           HB2      ARG  10 -17.176  -3.443 -12.767
   77   1HG   ARG  10           HG1      ARG  10 -14.654  -3.019 -12.601
   78   2HG   ARG  10           HG2      ARG  10 -14.937  -1.524 -13.484
   79   1HD   ARG  10           HD1      ARG  10 -15.790  -4.265 -14.471
   80   2HD   ARG  10           HD2      ARG  10 -14.303  -3.459 -14.964
   81    HE   ARG  10           HE       ARG  10 -16.812  -1.944 -15.367
   82   1HH1  ARG  10          HH21      ARG  10 -15.498  -4.620 -16.783
   83   2HH1  ARG  10          HH22      ARG  10 -15.214  -3.919 -18.341
   84   1HH2  ARG  10          HH11      ARG  10 -15.944  -0.674 -17.236
   85   2HH2  ARG  10          HH12      ARG  10 -15.473  -1.625 -18.603
   86    H    ABA  11           HN       ABU  11 -15.291  -0.560  -9.744
   87    HA   ABA  11           HA       ABU  11 -15.987   2.014 -11.118
   88   1HB   ABA  11           HB1      ABU  11 -15.418   2.931  -8.712
   89   2HB   ABA  11           HB2      ABU  11 -15.675   1.279  -8.198
   90   1HG   ABA  11           HG1      ABU  11 -17.915   1.330  -9.336
   91   2HG   ABA  11           HG2      ABU  11 -17.665   3.046  -9.632
   92   3HG   ABA  11           HG3      ABU  11 -17.782   2.446  -7.981
   93    H    LYS  12           HN       LYS  12 -14.153   1.915 -12.434
   94    HA   LYS  12           HA       LYS  12 -11.526   1.342 -11.743
   95   1HB   LYS  12           HB1      LYS  12 -10.887   2.808 -13.625
   96   2HB   LYS  12           HB2      LYS  12 -12.442   3.624 -13.549
   97   1HG   LYS  12           HG1      LYS  12 -13.597   1.530 -14.115
   98   2HG   LYS  12           HG2      LYS  12 -12.063   0.667 -14.124
   99   1HD   LYS  12           HD1      LYS  12 -11.267   1.951 -16.010
  100   2HD   LYS  12           HD2      LYS  12 -12.636   3.051 -15.909
  101   1HE   LYS  12           HE1      LYS  12 -12.922   1.349 -17.712
  102   2HE   LYS  12           HE2      LYS  12 -14.179   1.239 -16.486
  103   1HZ   LYS  12           HZ1      LYS  12 -13.062  -0.592 -15.478
  104   2HZ   LYS  12           HZ2      LYS  12 -11.731  -0.432 -16.521
  105   3HZ   LYS  12           HZ3      LYS  12 -13.236  -0.922 -17.135
  106    H    LYS  13           HN       LYS  13 -13.372   4.145 -10.795
  107    HA   LYS  13           HA       LYS  13 -10.928   5.563  -9.980
  108   1HB   LYS  13           HB1      LYS  13 -12.695   7.278  -9.152
  109   2HB   LYS  13           HB2      LYS  13 -13.888   6.232  -9.916
  110   1HG   LYS  13           HG1      LYS  13 -12.759   6.462 -12.076
  111   2HG   LYS  13           HG2      LYS  13 -11.476   7.410 -11.335
  112   1HD   LYS  13           HD1      LYS  13 -12.838   9.278 -11.050
  113   2HD   LYS  13           HD2      LYS  13 -14.313   8.321 -10.985
  114   1HE   LYS  13           HE1      LYS  13 -14.140   9.585 -13.117
  115   2HE   LYS  13           HE2      LYS  13 -14.135   7.848 -13.394
  116   1HZ   LYS  13           HZ1      LYS  13 -11.766   9.629 -13.335
  117   2HZ   LYS  13           HZ2      LYS  13 -12.439   8.881 -14.703
  118   3HZ   LYS  13           HZ3      LYS  13 -11.702   7.939 -13.497
  119    HA   PRO  14           HA       PRO  14 -11.013   3.982  -5.806
  120   1HB   PRO  14           HB1      PRO  14  -9.078   4.970  -5.032
  121   2HB   PRO  14           HB2      PRO  14 -10.021   6.391  -4.578
  122   1HG   PRO  14           HG1      PRO  14  -8.072   6.253  -6.647
  123   2HG   PRO  14           HG2      PRO  14  -9.187   7.588  -6.347
  124   1HD   PRO  14           HD1      PRO  14 -10.208   7.073  -8.335
  125   2HD   PRO  14           HD2      PRO  14  -9.246   5.589  -8.479
  126    H    SER  15           HN       SER  15 -11.619   7.496  -5.642
  127    HA   SER  15           HA       SER  15 -13.294   7.675  -3.491
  128   1HB   SER  15           HB1      SER  15 -12.902   9.713  -4.706
  129   2HB   SER  15           HB2      SER  15 -14.623   9.414  -5.014
  130    HG   SER  15           HG1      SER  15 -14.170   8.955  -7.014
  131    H    MET  16           HN       MET  16 -14.252   6.518  -6.693
  132    HA   MET  16           HA       MET  16 -17.034   6.213  -5.984
  133   1HB   MET  16           HB1      MET  16 -16.900   4.614  -8.072
  134   2HB   MET  16           HB2      MET  16 -15.245   5.195  -8.214
  135   1HG   MET  16           HG1      MET  16 -16.680   6.581  -9.578
  136   2HG   MET  16           HG2      MET  16 -16.071   7.514  -8.239
  137   1HE   MET  16           HE1      MET  16 -20.199   7.192  -9.720
  138   2HE   MET  16           HE2      MET  16 -19.016   5.918 -10.020
  139   3HE   MET  16           HE3      MET  16 -18.652   7.583 -10.473
  140    H    LEU  17           HN       LEU  17 -14.433   3.782  -6.457
  141    HA   LEU  17           HA       LEU  17 -16.023   1.641  -5.392
  142   1HB   LEU  17           HB1      LEU  17 -12.975   1.811  -5.311
  143   2HB   LEU  17           HB2      LEU  17 -13.825   1.518  -6.806
  144    HG   LEU  17           HG       LEU  17 -12.953  -0.579  -5.620
  145   1HD1  LEU  17          HD11      LEU  17 -14.051  -1.421  -3.692
  146   2HD1  LEU  17          HD12      LEU  17 -15.283  -0.174  -3.751
  147   3HD1  LEU  17          HD13      LEU  17 -13.626   0.239  -3.314
  148   1HD2  LEU  17          HD21      LEU  17 -14.892  -1.940  -6.100
  149   2HD2  LEU  17          HD22      LEU  17 -14.820  -0.658  -7.297
  150   3HD2  LEU  17          HD23      LEU  17 -15.967  -0.558  -5.969
  151    H    LYS  18           HN       LYS  18 -13.274   3.396  -3.990
  152    HA   LYS  18           HA       LYS  18 -13.130   2.513  -1.438
  153   1HB   LYS  18           HB1      LYS  18 -12.821   4.983  -0.740
  154   2HB   LYS  18           HB2      LYS  18 -13.263   5.409  -2.388
  155   1HG   LYS  18           HG1      LYS  18 -11.092   5.102  -2.942
  156   2HG   LYS  18           HG2      LYS  18 -11.346   3.381  -2.678
  157   1HD   LYS  18           HD1      LYS  18 -10.766   3.666  -0.286
  158   2HD   LYS  18           HD2      LYS  18 -10.509   5.386  -0.555
  159   1HE   LYS  18           HE1      LYS  18  -8.338   4.386  -0.684
  160   2HE   LYS  18           HE2      LYS  18  -8.808   4.711  -2.348
  161   1HZ   LYS  18           HZ1      LYS  18  -8.559   2.580  -2.787
  162   2HZ   LYS  18           HZ2      LYS  18  -9.772   2.187  -1.666
  163   3HZ   LYS  18           HZ3      LYS  18  -8.150   2.260  -1.170
  164    H    LYS  19           HN       LYS  19 -15.629   4.800  -2.531
  165    HA   LYS  19           HA       LYS  19 -16.939   4.841   0.019
  166   1HB   LYS  19           HB1      LYS  19 -18.123   5.419  -2.736
  167   2HB   LYS  19           HB2      LYS  19 -17.196   6.593  -1.810
  168   1HG   LYS  19           HG1      LYS  19 -18.836   6.403   0.048
  169   2HG   LYS  19           HG2      LYS  19 -19.772   5.259  -0.908
  170   1HD   LYS  19           HD1      LYS  19 -20.876   7.213  -1.480
  171   2HD   LYS  19           HD2      LYS  19 -19.628   7.219  -2.721
  172   1HE   LYS  19           HE1      LYS  19 -19.386   9.368  -1.851
  173   2HE   LYS  19           HE2      LYS  19 -18.225   8.484  -0.869
  174   1HZ   LYS  19           HZ1      LYS  19 -20.802   8.328   0.283
  175   2HZ   LYS  19           HZ2      LYS  19 -20.388   9.952   0.010
  176   3HZ   LYS  19           HZ3      LYS  19 -19.369   8.961   0.940
  177    H    HIS  20           HN       HIS  20 -17.410   3.026  -2.969
  178    HA   HIS  20           HA       HIS  20 -19.828   1.720  -2.282
  179   1HB   HIS  20           HB1      HIS  20 -17.466   0.673  -3.902
  180   2HB   HIS  20           HB2      HIS  20 -18.819   1.586  -4.563
  181    HD1  HIS  20           HD1      HIS  20 -20.691   0.086  -5.273
  182    HD2  HIS  20           HD2      HIS  20 -18.241  -1.834  -2.650
  183    HE1  HIS  20           HE1      HIS  20 -21.587  -2.186  -5.089
  184    H    ILE  21           HN       ILE  21 -16.461   0.628  -1.834
  185    HA   ILE  21           HA       ILE  21 -17.215  -1.778  -0.508
  186    HB   ILE  21           HB       ILE  21 -14.862  -0.926  -1.456
  187   1HG1  ILE  21          HG11      ILE  21 -15.515  -2.858   0.745
  188   2HG1  ILE  21          HG12      ILE  21 -13.825  -2.583   0.346
  189   1HG2  ILE  21          HG21      ILE  21 -13.373  -0.091   0.237
  190   2HG2  ILE  21          HG22      ILE  21 -14.461  -0.544   1.544
  191   3HG2  ILE  21          HG23      ILE  21 -14.842   0.820   0.509
  192   1HD1  ILE  21           HD1      ILE  21 -14.301  -3.125  -2.026
  193   2HD1  ILE  21           HD2      ILE  21 -15.989  -3.411  -1.622
  194   3HD1  ILE  21           HD3      ILE  21 -14.740  -4.463  -0.970
  195    NH1  ARG  22           NH1      ARG  22 -15.505   7.126   3.718
  196    NH2  ARG  22           NH2      ARG  22 -16.617   6.646   5.656
  197    H    ARG  22           HN       ARG  22 -16.903   1.492   0.634
  198    HA   ARG  22           HA       ARG  22 -16.815   0.760   3.452
  199   1HB   ARG  22           HB1      ARG  22 -17.628   3.265   3.634
  200   2HB   ARG  22           HB2      ARG  22 -17.370   3.312   1.894
  201   1HG   ARG  22           HG1      ARG  22 -15.031   2.556   2.229
  202   2HG   ARG  22           HG2      ARG  22 -15.293   2.528   3.967
  203   1HD   ARG  22           HD1      ARG  22 -15.821   5.033   2.361
  204   2HD   ARG  22           HD2      ARG  22 -14.204   4.660   2.957
  205    HE   ARG  22           HE       ARG  22 -15.677   4.400   5.230
  206   1HH1  ARG  22          HH11      ARG  22 -14.978   6.805   2.932
  207   2HH1  ARG  22          HH12      ARG  22 -15.713   8.099   3.817
  208   1HH2  ARG  22          HH21      ARG  22 -16.921   5.966   6.323
  209   2HH2  ARG  22          HH22      ARG  22 -16.843   7.611   5.788
  210    H    THR  23           HN       THR  23 -19.330   0.992   1.095
  211    HA   THR  23           HA       THR  23 -21.429   1.470   3.046
  212    HB   THR  23           HB       THR  23 -21.667   0.231   0.233
  213    HG1  THR  23           HG1      THR  23 -20.856   2.163  -0.151
  214   1HG2  THR  23          HG21      THR  23 -23.889   0.142   1.123
  215   2HG2  THR  23          HG22      THR  23 -23.857   1.812   0.568
  216   3HG2  THR  23          HG23      THR  23 -23.585   1.442   2.266
  217    H    HIS  24           HN       HIS  24 -19.554  -1.251   2.289
  218    HA   HIS  24           HA       HIS  24 -21.653  -3.208   2.982
  219   1HB   HIS  24           HB1      HIS  24 -19.517  -4.765   2.992
  220   2HB   HIS  24           HB2      HIS  24 -18.687  -3.368   2.313
  221    HD1  HIS  24           HD1      HIS  24 -21.904  -5.161   1.491
  222    HD2  HIS  24           HD2      HIS  24 -18.728  -3.444  -0.390
  223    HE1  HIS  24           HE1      HIS  24 -22.307  -5.476  -0.928
  224    H    THR  25           HN       THR  25 -20.138  -1.030   4.788
  225    HA   THR  25           HA       THR  25 -19.381  -2.864   6.994
  226    HB   THR  25           HB       THR  25 -18.750  -0.547   8.054
  227    HG1  THR  25           HG1      THR  25 -18.621   0.746   5.826
  228   1HG2  THR  25          HG21      THR  25 -16.905  -1.737   6.947
  229   2HG2  THR  25          HG22      THR  25 -16.908  -0.111   6.272
  230   3HG2  THR  25          HG23      THR  25 -17.613  -1.443   5.361
  231    H    ASP  26           HN       ASP  26 -20.530   0.210   7.833
  232    HA   ASP  26           HA       ASP  26 -23.273  -0.635   8.365
  233   1HB   ASP  26           HB1      ASP  26 -23.054  -0.345  10.842
  234   2HB   ASP  26           HB2      ASP  26 -21.328  -0.043  10.655
  235    H    VAL  27           HN       VAL  27 -21.812   1.409   6.956
  236    HA   VAL  27           HA       VAL  27 -22.469   3.859   8.488
  237    HB   VAL  27           HB       VAL  27 -20.283   3.768   7.386
  238   1HG1  VAL  27          HG11      VAL  27 -20.759   2.097   5.696
  239   2HG1  VAL  27          HG12      VAL  27 -20.160   3.541   4.894
  240   3HG1  VAL  27          HG13      VAL  27 -21.881   3.177   4.884
  241   1HG2  VAL  27          HG21      VAL  27 -22.097   5.829   7.047
  242   2HG2  VAL  27          HG22      VAL  27 -21.545   5.535   5.401
  243   3HG2  VAL  27          HG23      VAL  27 -20.381   5.925   6.663
  244    NH1  ARG  28           NH2      ARG  28 -26.321  -1.673   2.328
  245    NH2  ARG  28           NH1      ARG  28 -24.717  -2.767   3.533
  246    H    ARG  28           HN       ARG  28 -24.688   2.449   7.802
  247    HA   ARG  28           HA       ARG  28 -25.902   3.996   5.549
  248   1HB   ARG  28           HB1      ARG  28 -27.611   2.053   5.650
  249   2HB   ARG  28           HB2      ARG  28 -26.473   1.247   6.725
  250   1HG   ARG  28           HG1      ARG  28 -24.849   2.053   4.643
  251   2HG   ARG  28           HG2      ARG  28 -26.341   1.624   3.817
  252   1HD   ARG  28           HD1      ARG  28 -26.337  -0.543   5.141
  253   2HD   ARG  28           HD2      ARG  28 -24.712  -0.124   5.681
  254    HE   ARG  28           HE       ARG  28 -24.193  -0.024   3.130
  255   1HH1  ARG  28          HH21      ARG  28 -26.752  -0.811   2.059
  256   2HH1  ARG  28          HH22      ARG  28 -26.665  -2.539   1.964
  257   1HH2  ARG  28          HH11      ARG  28 -23.945  -2.725   4.167
  258   2HH2  ARG  28          HH12      ARG  28 -25.034  -3.651   3.190
  259    HA   PRO  29           HA       PRO  29 -27.850   5.490   9.493
  260   1HB   PRO  29           HB1      PRO  29 -27.401   7.738   9.428
  261   2HB   PRO  29           HB2      PRO  29 -28.490   7.947   8.057
  262   1HG   PRO  29           HG1      PRO  29 -25.567   7.861   8.055
  263   2HG   PRO  29           HG2      PRO  29 -26.650   8.257   6.720
  264   1HD   PRO  29           HD1      PRO  29 -26.383   6.185   5.812
  265   2HD   PRO  29           HD2      PRO  29 -25.137   5.863   7.030
  266    OH   TYR  30           OH       TYR  30 -29.858  10.726   3.120
  267    H    TYR  30           HN       TYR  30 -29.019   5.654   6.161
  268    HA   TYR  30           HA       TYR  30 -31.766   6.193   6.831
  269   1HB   TYR  30           HB1      TYR  30 -32.201   5.232   4.508
  270   2HB   TYR  30           HB2      TYR  30 -30.509   4.767   4.433
  271    HD1  TYR  30           HD1      TYR  30 -32.574   7.792   5.244
  272    HD2  TYR  30           HD2      TYR  30 -29.035   6.287   3.424
  273    HE1  TYR  30           HE1      TYR  30 -31.993  10.054   4.499
  274    HE2  TYR  30           HE2      TYR  30 -28.455   8.549   2.682
  275    HH   TYR  30           HH       TYR  30 -28.901  10.809   3.139
  276    H    HIS  31           HN       HIS  31 -31.850   4.715   8.720
  277    HA   HIS  31           HA       HIS  31 -32.081   1.834   8.097
  278   1HB   HIS  31           HB1      HIS  31 -32.757   1.899  10.672
  279   2HB   HIS  31           HB2      HIS  31 -32.124   3.540  10.607
  280    HD1  HIS  31           HD1      HIS  31 -31.015   0.118  10.694
  281    HD2  HIS  31           HD2      HIS  31 -29.326   3.717   9.888
  282    HE1  HIS  31           HE1      HIS  31 -28.621  -0.281  10.791
  283    H    CYS  32           HN       CYS  32 -33.985   0.718   7.988
  284    HA   CYS  32           HA       CYS  32 -36.396   2.163   7.482
  285   1HB   CYS  32           HB1      CYS  32 -35.727  -0.735   8.067
  286   2HB   CYS  32           HB2      CYS  32 -36.272  -0.033   6.565
  287    H    THR  33           HN       THR  33 -38.122   2.650   8.786
  288    HA   THR  33           HA       THR  33 -37.636   2.927  11.601
  289    HB   THR  33           HB       THR  33 -40.245   3.057   9.968
  290    HG1  THR  33           HG1      THR  33 -38.943   5.217  11.138
  291   1HG2  THR  33          HG21      THR  33 -40.816   4.624  12.008
  292   2HG2  THR  33          HG22      THR  33 -39.520   3.783  12.854
  293   3HG2  THR  33          HG23      THR  33 -40.935   2.892  12.302
  294    OH   TYR  34           OH       TYR  34 -44.563   2.384   9.122
  295    H    TYR  34           HN       TYR  34 -38.956   0.387   9.684
  296    HA   TYR  34           HA       TYR  34 -40.027  -0.993  12.082
  297   1HB   TYR  34           HB1      TYR  34 -41.108  -2.502  10.481
  298   2HB   TYR  34           HB2      TYR  34 -40.141  -1.867   9.156
  299    HD1  TYR  34           HD2      TYR  34 -40.393   0.691   8.659
  300    HD2  TYR  34           HD1      TYR  34 -43.207  -1.533  10.946
  301    HE1  TYR  34           HE2      TYR  34 -42.086   2.412   8.248
  302    HE2  TYR  34           HE1      TYR  34 -44.905   0.186  10.520
  303    HH   TYR  34           HH       TYR  34 -45.426   1.967   9.162
  304    H    CYS  35           HN       CYS  35 -38.404  -2.312   9.205
  305    HA   CYS  35           HA       CYS  35 -37.180  -4.451  10.635
  306   1HB   CYS  35           HB1      CYS  35 -36.001  -3.195   8.151
  307   2HB   CYS  35           HB2      CYS  35 -35.965  -4.866   8.621
  308    H    ASN  36           HN       ASN  36 -34.574  -4.428   9.747
  309    HA   ASN  36           HA       ASN  36 -33.342  -2.247  11.384
  310   1HB   ASN  36           HB1      ASN  36 -32.786  -5.237  11.214
  311   2HB   ASN  36           HB2      ASN  36 -33.007  -4.251  12.658
  312   1HD2  ASN  36          HD21      ASN  36 -31.196  -2.907  13.359
  313   2HD2  ASN  36          HD22      ASN  36 -29.625  -3.173  12.776
  314    H    PHE  37           HN       PHE  37 -33.661  -3.620   8.371
  315    HA   PHE  37           HA       PHE  37 -30.965  -3.411   7.391
  316   1HB   PHE  37           HB1      PHE  37 -33.346  -2.953   5.595
  317   2HB   PHE  37           HB2      PHE  37 -33.201  -4.524   6.383
  318    HD1  PHE  37           HD2      PHE  37 -30.674  -5.504   6.305
  319    HD2  PHE  37           HD1      PHE  37 -32.314  -2.738   3.516
  320    HE1  PHE  37           HE2      PHE  37 -28.988  -6.172   4.647
  321    HE2  PHE  37           HE1      PHE  37 -30.627  -3.411   1.860
  322    HZ   PHE  37           HZ       PHE  37 -28.964  -5.126   2.426
  323    H    SER  38           HN       SER  38 -30.057  -1.779   6.105
  324    HA   SER  38           HA       SER  38 -31.507   0.806   6.046
  325   1HB   SER  38           HB1      SER  38 -28.652   0.559   7.096
  326   2HB   SER  38           HB2      SER  38 -30.064   0.643   8.155
  327    HG   SER  38           HG1      SER  38 -30.009   2.710   7.808
  328    H    PHE  39           HN       PHE  39 -30.197   2.466   4.856
  329    HA   PHE  39           HA       PHE  39 -28.533   1.220   2.724
  330   1HB   PHE  39           HB1      PHE  39 -29.864   2.301   1.036
  331   2HB   PHE  39           HB2      PHE  39 -30.626   3.366   2.218
  332    HD1  PHE  39           HD2      PHE  39 -32.271   2.425   3.859
  333    HD2  PHE  39           HD1      PHE  39 -30.704   0.055   0.683
  334    HE1  PHE  39           HE2      PHE  39 -34.036   0.756   4.229
  335    HE2  PHE  39           HE1      PHE  39 -32.488  -1.596   1.042
  336    HZ   PHE  39           HZ       PHE  39 -34.154  -1.246   2.815
  337    H    LYS  40           HN       LYS  40 -27.334   2.888   1.478
  338    HA   LYS  40           HA       LYS  40 -26.258   4.879   3.366
  339   1HB   LYS  40           HB1      LYS  40 -25.436   4.088   0.527
  340   2HB   LYS  40           HB2      LYS  40 -24.728   3.450   1.994
  341   1HG   LYS  40           HG1      LYS  40 -24.659   6.395   1.227
  342   2HG   LYS  40           HG2      LYS  40 -23.349   5.269   0.930
  343   1HD   LYS  40           HD1      LYS  40 -23.483   4.751   3.470
  344   2HD   LYS  40           HD2      LYS  40 -24.403   6.247   3.582
  345   1HE   LYS  40           HE1      LYS  40 -22.296   7.139   3.831
  346   2HE   LYS  40           HE2      LYS  40 -22.368   7.140   2.073
  347   1HZ   LYS  40           HZ1      LYS  40 -21.253   4.914   3.678
  348   2HZ   LYS  40           HZ2      LYS  40 -20.318   6.162   3.006
  349   3HZ   LYS  40           HZ3      LYS  40 -21.176   5.103   1.993
  350    H    THR  41           HN       THR  41 -28.310   4.701   0.610
  351    HA   THR  41           HA       THR  41 -28.372   7.691   0.483
  352    HB   THR  41           HB       THR  41 -28.744   7.514  -1.905
  353    HG1  THR  41           HG1      THR  41 -29.007   4.739  -1.759
  354   1HG2  THR  41          HG21      THR  41 -27.175   4.932  -1.443
  355   2HG2  THR  41          HG22      THR  41 -26.428   6.475  -1.046
  356   3HG2  THR  41          HG23      THR  41 -26.920   6.137  -2.702
  357    H    LYS  42           HN       LYS  42 -30.407   8.637  -0.035
  358    HA   LYS  42           HA       LYS  42 -32.564   7.397   1.417
  359   1HB   LYS  42           HB1      LYS  42 -32.540   9.880  -0.360
  360   2HB   LYS  42           HB2      LYS  42 -32.175   9.877   1.362
  361   1HG   LYS  42           HG1      LYS  42 -34.394  10.202   1.697
  362   2HG   LYS  42           HG2      LYS  42 -34.610   8.526   1.208
  363   1HD   LYS  42           HD1      LYS  42 -34.834   9.244  -1.151
  364   2HD   LYS  42           HD2      LYS  42 -34.617  10.920  -0.662
  365   1HE   LYS  42           HE1      LYS  42 -36.634  10.767   0.762
  366   2HE   LYS  42           HE2      LYS  42 -36.852   9.091   0.274
  367   1HZ   LYS  42           HZ1      LYS  42 -36.677  11.210  -1.760
  368   2HZ   LYS  42           HZ2      LYS  42 -38.140  10.932  -0.941
  369   3HZ   LYS  42           HZ3      LYS  42 -37.428   9.689  -1.854
  370    H    GLY  43           HN       GLY  43 -31.479   7.292  -1.794
  371   1HA   GLY  43           HA1      GLY  43 -32.418   6.364  -3.738
  372   2HA   GLY  43           HA2      GLY  43 -33.970   6.979  -3.177
  373    H    ASN  44           HN       ASN  44 -31.644   4.378  -2.486
  374    HA   ASN  44           HA       ASN  44 -33.371   2.238  -2.893
  375   1HB   ASN  44           HB1      ASN  44 -31.861   1.109  -1.046
  376   2HB   ASN  44           HB2      ASN  44 -30.994   2.642  -1.051
  377   1HD2  ASN  44          HD21      ASN  44 -29.462   2.938  -2.686
  378   2HD2  ASN  44          HD22      ASN  44 -29.293   1.931  -4.040
  379    H    LEU  45           HN       LEU  45 -33.085   4.302  -0.070
  380    HA   LEU  45           HA       LEU  45 -34.570   2.691   1.746
  381   1HB   LEU  45           HB1      LEU  45 -34.322   5.741   1.489
  382   2HB   LEU  45           HB2      LEU  45 -33.305   4.701   2.464
  383    HG   LEU  45           HG       LEU  45 -34.836   5.667   4.011
  384   1HD1  LEU  45          HD11      LEU  45 -36.974   6.319   3.560
  385   2HD1  LEU  45          HD12      LEU  45 -37.384   4.809   2.763
  386   3HD1  LEU  45          HD13      LEU  45 -36.540   6.065   1.878
  387   1HD2  LEU  45          HD21      LEU  45 -35.925   3.769   4.949
  388   2HD2  LEU  45          HD22      LEU  45 -34.545   3.121   4.071
  389   3HD2  LEU  45          HD23      LEU  45 -36.158   3.011   3.380
  390    H    THR  46           HN       THR  46 -35.618   5.223  -0.513
  391    HA   THR  46           HA       THR  46 -38.384   5.129   0.135
  392    HB   THR  46           HB       THR  46 -37.002   5.750  -2.549
  393    HG1  THR  46           HG1      THR  46 -36.467   7.435  -1.414
  394   1HG2  THR  46          HG21      THR  46 -39.527   5.414  -2.740
  395   2HG2  THR  46          HG22      THR  46 -39.076   7.101  -2.962
  396   3HG2  THR  46          HG23      THR  46 -39.746   6.563  -1.425
  397    H    LYS  47           HN       LYS  47 -36.419   3.171  -2.034
  398    HA   LYS  47           HA       LYS  47 -38.594   1.824  -3.324
  399   1HB   LYS  47           HB1      LYS  47 -35.716   0.948  -2.742
  400   2HB   LYS  47           HB2      LYS  47 -36.292   1.709  -4.217
  401   1HG   LYS  47           HG1      LYS  47 -37.035  -1.057  -3.194
  402   2HG   LYS  47           HG2      LYS  47 -36.090  -0.680  -4.627
  403   1HD   LYS  47           HD1      LYS  47 -38.210   0.694  -5.343
  404   2HD   LYS  47           HD2      LYS  47 -39.042  -0.319  -4.169
  405   1HE   LYS  47           HE1      LYS  47 -39.123  -1.342  -6.417
  406   2HE   LYS  47           HE2      LYS  47 -38.191  -2.343  -5.311
  407   1HZ   LYS  47           HZ1      LYS  47 -36.462  -2.176  -6.646
  408   2HZ   LYS  47           HZ2      LYS  47 -36.473  -0.482  -6.513
  409   3HZ   LYS  47           HZ3      LYS  47 -37.375  -1.243  -7.734
  410    H    HIS  48           HN       HIS  48 -36.761   1.123  -0.375
  411    HA   HIS  48           HA       HIS  48 -37.964  -1.430   0.120
  412   1HB   HIS  48           HB1      HIS  48 -36.812   0.649   2.051
  413   2HB   HIS  48           HB2      HIS  48 -35.935  -0.699   1.334
  414    HD1  HIS  48           HD1      HIS  48 -37.269  -3.070   1.956
  415    HD2  HIS  48           HD2      HIS  48 -37.766   0.041   4.562
  416    HE1  HIS  48           HE1      HIS  48 -38.043  -4.089   4.041
  417    H    MET  49           HN       MET  49 -38.973   1.852   0.794
  418    HA   MET  49           HA       MET  49 -41.239   0.918   2.437
  419   1HB   MET  49           HB1      MET  49 -41.764   3.381   2.542
  420   2HB   MET  49           HB2      MET  49 -40.450   3.690   1.413
  421   1HG   MET  49           HG1      MET  49 -39.560   4.066   3.584
  422   2HG   MET  49           HG2      MET  49 -38.901   2.553   3.024
  423   1HE   MET  49           HE1      MET  49 -38.370   3.479   5.536
  424   2HE   MET  49           HE2      MET  49 -39.118   2.685   6.923
  425   3HE   MET  49           HE3      MET  49 -39.830   4.155   6.258
  426    H    LYS  50           HN       LYS  50 -40.560   1.737  -0.838
  427    HA   LYS  50           HA       LYS  50 -43.195   2.477  -1.679
  428   1HB   LYS  50           HB1      LYS  50 -41.093   0.984  -3.317
  429   2HB   LYS  50           HB2      LYS  50 -41.004   2.713  -2.996
  430   1HG   LYS  50           HG1      LYS  50 -43.131   3.086  -4.119
  431   2HG   LYS  50           HG2      LYS  50 -43.379   1.354  -4.308
  432   1HD   LYS  50           HD1      LYS  50 -41.495   1.172  -5.810
  433   2HD   LYS  50           HD2      LYS  50 -40.999   2.828  -5.474
  434   1HE   LYS  50           HE1      LYS  50 -43.128   3.650  -6.456
  435   2HE   LYS  50           HE2      LYS  50 -43.591   1.993  -6.820
  436   1HZ   LYS  50           HZ1      LYS  50 -42.348   2.002  -8.633
  437   2HZ   LYS  50           HZ2      LYS  50 -40.989   2.590  -7.801
  438   3HZ   LYS  50           HZ3      LYS  50 -42.141   3.674  -8.418
  439    H    SER  51           HN       SER  51 -41.499  -0.651  -1.945
  440    HA   SER  51           HA       SER  51 -43.549  -2.186  -3.033
  441   1HB   SER  51           HB1      SER  51 -41.507  -2.892  -0.861
  442   2HB   SER  51           HB2      SER  51 -41.393  -3.238  -2.598
  443    HG   SER  51           HG1      SER  51 -42.193  -5.037  -1.403
  444    H    LYS  52           HN       LYS  52 -44.761  -3.959  -1.735
  445    HA   LYS  52           HA       LYS  52 -46.632  -2.556  -0.013
  446   1HB   LYS  52           HB1      LYS  52 -47.425  -4.359  -1.488
  447   2HB   LYS  52           HB2      LYS  52 -47.679  -4.865   0.178
  448   1HG   LYS  52           HG1      LYS  52 -45.531  -6.129   0.098
  449   2HG   LYS  52           HG2      LYS  52 -45.339  -5.662  -1.588
  450   1HD   LYS  52           HD1      LYS  52 -47.297  -6.882  -2.245
  451   2HD   LYS  52           HD2      LYS  52 -47.796  -7.111  -0.572
  452   1HE   LYS  52           HE1      LYS  52 -46.169  -8.737  -0.167
  453   2HE   LYS  52           HE2      LYS  52 -45.111  -8.140  -1.440
  454   1HZ   LYS  52           HZ1      LYS  52 -46.797  -8.929  -3.057
  455   2HZ   LYS  52           HZ2      LYS  52 -47.632  -9.661  -1.771
  456   3HZ   LYS  52           HZ3      LYS  52 -46.059 -10.169  -2.162
  457    H    ALA  53           HN       ALA  53 -43.772  -2.939   0.864
  458    HA   ALA  53           HA       ALA  53 -43.612  -4.796   2.995
  459   1HB   ALA  53           HB1      ALA  53 -42.340  -2.041   2.624
  460   2HB   ALA  53           HB2      ALA  53 -41.621  -3.596   2.219
  461   3HB   ALA  53           HB3      ALA  53 -41.870  -3.155   3.905
  462    H    HIS  54           HN       HIS  54 -43.101  -1.786   4.381
  463    HA   HIS  54           HA       HIS  54 -45.797  -1.641   5.579
  464   1HB   HIS  54           HB1      HIS  54 -44.901  -2.985   7.261
  465   2HB   HIS  54           HB2      HIS  54 -44.353  -1.420   7.853
  466    HD1  HIS  54           HD1      HIS  54 -43.061  -4.583   6.882
  467    HD2  HIS  54           HD2      HIS  54 -41.574  -0.774   6.852
  468    HE1  HIS  54           HE1      HIS  54 -40.629  -4.831   6.733
  469    H    SER  55           HN       SER  55 -45.901   0.358   4.494
  470    HA   SER  55           HA       SER  55 -44.797   2.557   6.075
  471   1HB   SER  55           HB1      SER  55 -44.126   2.430   3.088
  472   2HB   SER  55           HB2      SER  55 -42.976   1.961   4.356
  473    HG   SER  55           HG1      SER  55 -44.000   4.172   5.204
  474    H    LYS  56           HN       LYS  56 -46.622   1.452   3.289
  475    HA   LYS  56           HA       LYS  56 -48.375   3.869   3.562
  476   1HB   LYS  56           HB1      LYS  56 -48.810   3.679   1.148
  477   2HB   LYS  56           HB2      LYS  56 -47.893   2.179   1.062
  478   1HG   LYS  56           HG1      LYS  56 -45.842   3.380   1.719
  479   2HG   LYS  56           HG2      LYS  56 -46.752   4.882   1.845
  480   1HD   LYS  56           HD1      LYS  56 -46.930   3.356  -0.723
  481   2HD   LYS  56           HD2      LYS  56 -45.442   4.237  -0.395
  482   1HE   LYS  56           HE1      LYS  56 -48.238   5.419  -0.330
  483   2HE   LYS  56           HE2      LYS  56 -47.063   5.654  -1.618
  484   1HZ   LYS  56           HZ1      LYS  56 -46.177   7.303  -0.480
  485   2HZ   LYS  56           HZ2      LYS  56 -45.856   6.276   0.834
  486   3HZ   LYS  56           HZ3      LYS  56 -47.337   7.101   0.744
  487    H    LYS  57           HN       LYS  57 -48.257   0.761   4.353
  488    HA   LYS  57           HA       LYS  57 -50.533  -0.478   3.284
  489   1HB   LYS  57           HB1      LYS  57 -48.972  -1.683   4.752
  490   2HB   LYS  57           HB2      LYS  57 -50.568  -1.741   5.491
  491   1HG   LYS  57           HG1      LYS  57 -49.970   0.191   6.925
  492   2HG   LYS  57           HG2      LYS  57 -48.372   0.238   6.190
  493   1HD   LYS  57           HD1      LYS  57 -48.068  -2.170   6.942
  494   2HD   LYS  57           HD2      LYS  57 -49.560  -1.997   7.861
  495   1HE   LYS  57           HE1      LYS  57 -47.068  -0.290   8.179
  496   2HE   LYS  57           HE2      LYS  57 -47.615  -1.532   9.299
  497   1HZ   LYS  57           HZ1      LYS  57 -48.307   0.560  10.127
  498   2HZ   LYS  57           HZ2      LYS  57 -49.694  -0.231   9.550
  499   3HZ   LYS  57                 LYS  57 -48.983   1.011   8.634
   
  Start of MODEL          55
 Raw file had 499 H/Q atoms
  Start of MODEL   55
    1   1H    LYS   1           HT1      LYS   1  -6.813  -5.999  -5.194
    2   2H    LYS   1           HT2      LYS   1  -6.340  -5.402  -6.712
    3   3H    LYS   1           HT3      LYS   1  -6.086  -7.036  -6.325
    4    HA   LYS   1           HA       LYS   1  -8.060  -6.364  -7.826
    5   1HB   LYS   1           HB1      LYS   1  -9.432  -8.135  -6.222
    6   2HB   LYS   1           HB2      LYS   1  -7.788  -8.387  -5.645
    7   1HG   LYS   1           HG1      LYS   1  -7.062  -8.679  -8.038
    8   2HG   LYS   1           HG2      LYS   1  -8.754  -8.594  -8.515
    9   1HD   LYS   1           HD1      LYS   1  -9.095 -10.483  -6.735
   10   2HD   LYS   1           HD2      LYS   1  -7.358 -10.715  -6.891
   11   1HE   LYS   1           HE1      LYS   1  -7.851 -10.715  -9.468
   12   2HE   LYS   1           HE2      LYS   1  -9.503 -11.066  -8.974
   13   1HZ   LYS   1           HZ1      LYS   1  -7.964 -13.013  -9.423
   14   2HZ   LYS   1           HZ2      LYS   1  -8.870 -13.053  -7.988
   15   3HZ   LYS   1           HZ3      LYS   1  -7.225 -12.632  -7.942
   16    OH   TYR   2           OH       TYR   2  -5.431  -0.407  -5.287
   17    H    TYR   2           HN       TYR   2  -9.343  -4.640  -7.767
   18    HA   TYR   2           HA       TYR   2 -10.616  -3.867  -5.192
   19   1HB   TYR   2           HB1      TYR   2 -11.269  -1.819  -6.457
   20   2HB   TYR   2           HB2      TYR   2 -10.555  -2.494  -7.918
   21    HD1  TYR   2           HD2      TYR   2  -9.784  -1.350  -4.475
   22    HD2  TYR   2           HD1      TYR   2  -8.188  -2.402  -8.272
   23    HE1  TYR   2           HE2      TYR   2  -7.607  -0.436  -3.814
   24    HE2  TYR   2           HE1      TYR   2  -6.007  -1.502  -7.606
   25    HH   TYR   2           HH       TYR   2  -4.962  -1.093  -4.807
   26    H    ILE   3           HN       ILE   3 -11.771  -6.093  -5.773
   27    HA   ILE   3           HA       ILE   3 -14.361  -5.325  -7.050
   28    HB   ILE   3           HB       ILE   3 -13.063  -8.091  -7.112
   29   1HG1  ILE   3          HG11      ILE   3 -12.690  -5.716  -8.820
   30   2HG1  ILE   3          HG12      ILE   3 -13.130  -7.168  -9.711
   31   1HG2  ILE   3          HG21      ILE   3 -15.576  -7.964  -7.318
   32   2HG2  ILE   3          HG22      ILE   3 -14.834  -8.516  -8.815
   33   3HG2  ILE   3          HG23      ILE   3 -15.394  -6.853  -8.672
   34   1HD1  ILE   3           HD1      ILE   3 -10.663  -6.972  -9.428
   35   2HD1  ILE   3           HD2      ILE   3 -11.298  -8.410  -8.634
   36   3HD1  ILE   3           HD3      ILE   3 -10.877  -6.991  -7.681
   37    H    CYS   4           HN       CYS   4 -15.871  -5.267  -5.498
   38    HA   CYS   4           HA       CYS   4 -15.536  -6.433  -2.938
   39   1HB   CYS   4           HB1      CYS   4 -17.988  -5.539  -4.455
   40   2HB   CYS   4           HB2      CYS   4 -17.156  -4.684  -3.189
   41    H    GLU   5           HN       GLU   5 -15.540  -8.460  -2.380
   42    HA   GLU   5           HA       GLU   5 -16.345 -10.564  -4.146
   43   1HB   GLU   5           HB1      GLU   5 -15.962 -11.994  -2.045
   44   2HB   GLU   5           HB2      GLU   5 -15.621 -10.494  -1.188
   45   1HG   GLU   5           HG1      GLU   5 -13.975 -10.083  -3.236
   46   2HG   GLU   5           HG2      GLU   5 -14.038 -11.840  -3.354
   47    H    GLU   6           HN       GLU   6 -18.144  -8.609  -2.043
   48    HA   GLU   6           HA       GLU   6 -20.169 -10.660  -1.546
   49   1HB   GLU   6           HB1      GLU   6 -20.442  -7.707  -0.915
   50   2HB   GLU   6           HB2      GLU   6 -19.443  -8.749   0.089
   51   1HG   GLU   6           HG1      GLU   6 -21.406 -10.254   0.423
   52   2HG   GLU   6           HG2      GLU   6 -22.394  -9.140  -0.519
   53    H    CYS   7           HN       CYS   7 -20.447  -7.322  -2.753
   54    HA   CYS   7           HA       CYS   7 -22.854  -8.002  -4.224
   55   1HB   CYS   7           HB1      CYS   7 -22.875  -5.713  -4.887
   56   2HB   CYS   7           HB2      CYS   7 -21.152  -5.557  -4.713
   57    H    GLY   8           HN       GLY   8 -19.511  -7.219  -5.094
   58   1HA   GLY   8           HA1      GLY   8 -19.974  -8.541  -7.731
   59   2HA   GLY   8           HA2      GLY   8 -18.411  -8.419  -6.931
   60    H    ILE   9           HN       ILE   9 -19.267  -5.542  -6.209
   61    HA   ILE   9           HA       ILE   9 -19.501  -4.103  -8.655
   62    HB   ILE   9           HB       ILE   9 -19.841  -3.332  -6.140
   63   1HG1  ILE   9          HG11      ILE   9 -18.863  -1.780  -8.507
   64   2HG1  ILE   9          HG12      ILE   9 -18.996  -0.939  -6.967
   65   1HG2  ILE   9          HG21      ILE   9 -17.264  -3.798  -5.777
   66   2HG2  ILE   9          HG22      ILE   9 -17.931  -2.322  -5.103
   67   3HG2  ILE   9          HG23      ILE   9 -17.023  -2.270  -6.608
   68   1HD1  ILE   9           HD1      ILE   9 -21.339  -1.581  -6.766
   69   2HD1  ILE   9           HD2      ILE   9 -21.226  -2.576  -8.214
   70   3HD1  ILE   9           HD3      ILE   9 -21.095  -0.824  -8.337
   71    NH1  ARG  10           NH2      ARG  10 -14.729  -6.840 -15.239
   72    NH2  ARG  10           NH1      ARG  10 -16.581  -5.736 -15.998
   73    H    ARG  10           HN       ARG  10 -17.994  -3.107  -9.936
   74    HA   ARG  10           HA       ARG  10 -15.163  -3.958  -9.490
   75   1HB   ARG  10           HB1      ARG  10 -16.515  -3.265 -12.138
   76   2HB   ARG  10           HB2      ARG  10 -16.468  -4.900 -11.502
   77   1HG   ARG  10           HG1      ARG  10 -13.833  -4.292 -11.309
   78   2HG   ARG  10           HG2      ARG  10 -14.266  -3.245 -12.654
   79   1HD   ARG  10           HD1      ARG  10 -14.695  -6.246 -12.472
   80   2HD   ARG  10           HD2      ARG  10 -13.602  -5.397 -13.564
   81    HE   ARG  10           HE       ARG  10 -16.368  -4.539 -13.872
   82   1HH1  ARG  10          HH21      ARG  10 -14.036  -6.960 -14.529
   83   2HH1  ARG  10          HH22      ARG  10 -14.715  -7.417 -16.055
   84   1HH2  ARG  10          HH11      ARG  10 -17.273  -5.028 -15.857
   85   2HH2  ARG  10          HH12      ARG  10 -16.597  -6.294 -16.827
   86    H    ABA  11           HN       ABU  11 -13.907  -2.321  -8.926
   87    HA   ABA  11           HA       ABU  11 -14.350   0.334 -10.239
   88   1HB   ABA  11           HB1      ABU  11 -13.603   1.318  -8.004
   89   2HB   ABA  11           HB2      ABU  11 -13.764  -0.281  -7.317
   90   1HG   ABA  11           HG1      ABU  11 -15.833   0.917  -6.899
   91   2HG   ABA  11           HG2      ABU  11 -16.155  -0.313  -8.117
   92   3HG   ABA  11           HG3      ABU  11 -15.959   1.369  -8.596
   93    H    LYS  12           HN       LYS  12 -12.643   0.522 -11.529
   94    HA   LYS  12           HA       LYS  12 -10.117  -0.707 -11.101
   95   1HB   LYS  12           HB1      LYS  12  -9.414   1.097 -12.876
   96   2HB   LYS  12           HB2      LYS  12 -11.122   1.524 -12.888
   97   1HG   LYS  12           HG1      LYS  12 -11.446  -1.095 -13.151
   98   2HG   LYS  12           HG2      LYS  12  -9.799  -1.023 -13.766
   99   1HD   LYS  12           HD1      LYS  12 -12.145   0.611 -14.794
  100   2HD   LYS  12           HD2      LYS  12 -11.423  -0.771 -15.609
  101   1HE   LYS  12           HE1      LYS  12 -10.151   1.917 -15.042
  102   2HE   LYS  12           HE2      LYS  12 -10.434   1.170 -16.609
  103   1HZ   LYS  12           HZ1      LYS  12  -8.301   0.733 -14.711
  104   2HZ   LYS  12           HZ2      LYS  12  -8.314   0.548 -16.400
  105   3HZ   LYS  12           HZ3      LYS  12  -8.934  -0.682 -15.405
  106    H    LYS  13           HN       LYS  13 -11.313   1.485  -9.105
  107    HA   LYS  13           HA       LYS  13  -8.622   2.619  -8.587
  108   1HB   LYS  13           HB1      LYS  13  -9.965   4.805  -7.958
  109   2HB   LYS  13           HB2      LYS  13 -11.223   4.110  -8.976
  110   1HG   LYS  13           HG1      LYS  13  -9.409   3.825 -10.769
  111   2HG   LYS  13           HG2      LYS  13  -8.395   4.857  -9.768
  112   1HD   LYS  13           HD1      LYS  13 -11.116   5.582 -10.907
  113   2HD   LYS  13           HD2      LYS  13  -9.565   6.223 -11.438
  114   1HE   LYS  13           HE1      LYS  13 -11.016   6.713  -8.841
  115   2HE   LYS  13           HE2      LYS  13 -10.346   7.889  -9.964
  116   1HZ   LYS  13           HZ1      LYS  13  -8.142   6.609  -9.299
  117   2HZ   LYS  13           HZ2      LYS  13  -9.029   6.357  -7.871
  118   3HZ   LYS  13           HZ3      LYS  13  -8.731   7.937  -8.419
  119    HA   PRO  14           HA       PRO  14  -9.471   1.527  -4.377
  120   1HB   PRO  14           HB1      PRO  14  -7.449   2.172  -3.472
  121   2HB   PRO  14           HB2      PRO  14  -8.145   3.760  -3.152
  122   1HG   PRO  14           HG1      PRO  14  -6.067   3.193  -4.997
  123   2HG   PRO  14           HG2      PRO  14  -6.973   4.704  -4.892
  124   1HD   PRO  14           HD1      PRO  14  -7.831   4.223  -6.964
  125   2HD   PRO  14           HD2      PRO  14  -7.144   2.587  -6.904
  126    H    SER  15           HN       SER  15  -9.300   5.085  -4.272
  127    HA   SER  15           HA       SER  15 -11.132   5.751  -2.395
  128   1HB   SER  15           HB1      SER  15 -10.097   7.501  -3.779
  129   2HB   SER  15           HB2      SER  15 -11.850   7.687  -3.974
  130    HG   SER  15           HG1      SER  15 -10.324   5.962  -5.612
  131    H    MET  16           HN       MET  16 -12.009   4.615  -5.633
  132    HA   MET  16           HA       MET  16 -14.845   4.937  -5.235
  133   1HB   MET  16           HB1      MET  16 -14.830   3.133  -7.170
  134   2HB   MET  16           HB2      MET  16 -13.085   3.375  -7.145
  135   1HG   MET  16           HG1      MET  16 -15.253   5.283  -7.891
  136   2HG   MET  16           HG2      MET  16 -13.748   4.952  -8.705
  137   1HE   MET  16           HE1      MET  16 -15.342   8.086  -7.472
  138   2HE   MET  16           HE2      MET  16 -14.749   7.339  -8.955
  139   3HE   MET  16           HE3      MET  16 -13.862   8.678  -8.226
  140    H    LEU  17           HN       LEU  17 -12.787   2.006  -5.249
  141    HA   LEU  17           HA       LEU  17 -14.850   0.310  -4.207
  142   1HB   LEU  17           HB1      LEU  17 -11.861  -0.079  -3.749
  143   2HB   LEU  17           HB2      LEU  17 -12.555  -0.291  -5.336
  144    HG   LEU  17           HG       LEU  17 -12.310  -2.446  -4.040
  145   1HD1  LEU  17          HD11      LEU  17 -12.918  -1.332  -1.832
  146   2HD1  LEU  17          HD12      LEU  17 -13.637  -2.906  -2.134
  147   3HD1  LEU  17          HD13      LEU  17 -14.597  -1.451  -2.343
  148   1HD2  LEU  17          HD21      LEU  17 -15.258  -1.930  -4.483
  149   2HD2  LEU  17          HD22      LEU  17 -14.337  -3.396  -4.779
  150   3HD2  LEU  17          HD23      LEU  17 -14.135  -2.006  -5.829
  151    H    LYS  18           HN       LYS  18 -11.965   1.670  -2.681
  152    HA   LYS  18           HA       LYS  18 -12.110   1.067  -0.071
  153   1HB   LYS  18           HB1      LYS  18 -11.864   3.898  -1.195
  154   2HB   LYS  18           HB2      LYS  18 -10.545   2.753  -1.009
  155   1HG   LYS  18           HG1      LYS  18 -11.037   2.727   1.472
  156   2HG   LYS  18           HG2      LYS  18 -12.182   4.033   1.204
  157   1HD   LYS  18           HD1      LYS  18 -10.474   5.531   0.483
  158   2HD   LYS  18           HD2      LYS  18  -9.307   4.230   0.280
  159   1HE   LYS  18           HE1      LYS  18 -10.418   4.387   2.999
  160   2HE   LYS  18           HE2      LYS  18  -9.519   5.822   2.525
  161   1HZ   LYS  18           HZ1      LYS  18  -8.278   3.850   3.570
  162   2HZ   LYS  18           HZ2      LYS  18  -7.594   4.635   2.230
  163   3HZ   LYS  18           HZ3      LYS  18  -8.395   3.152   2.025
  164    H    LYS  19           HN       LYS  19 -14.191   3.550  -1.548
  165    HA   LYS  19           HA       LYS  19 -15.632   4.002   0.902
  166   1HB   LYS  19           HB1      LYS  19 -16.754   4.591  -1.851
  167   2HB   LYS  19           HB2      LYS  19 -15.384   5.524  -1.255
  168   1HG   LYS  19           HG1      LYS  19 -16.631   6.564   0.382
  169   2HG   LYS  19           HG2      LYS  19 -17.678   5.169   0.618
  170   1HD   LYS  19           HD1      LYS  19 -18.838   5.649  -1.493
  171   2HD   LYS  19           HD2      LYS  19 -17.753   6.999  -1.804
  172   1HE   LYS  19           HE1      LYS  19 -18.707   8.327  -0.149
  173   2HE   LYS  19           HE2      LYS  19 -19.238   6.943   0.799
  174   1HZ   LYS  19           HZ1      LYS  19 -20.453   8.050  -1.656
  175   2HZ   LYS  19           HZ2      LYS  19 -21.162   7.843  -0.126
  176   3HZ   LYS  19           HZ3      LYS  19 -20.822   6.490  -1.094
  177    H    HIS  20           HN       HIS  20 -16.228   2.148  -2.045
  178    HA   HIS  20           HA       HIS  20 -18.867   1.318  -1.490
  179   1HB   HIS  20           HB1      HIS  20 -16.594  -0.228  -2.817
  180   2HB   HIS  20           HB2      HIS  20 -17.742   0.814  -3.655
  181    HD1  HIS  20           HD1      HIS  20 -19.783  -0.433  -4.387
  182    HD2  HIS  20           HD2      HIS  20 -17.846  -2.475  -1.449
  183    HE1  HIS  20           HE1      HIS  20 -21.035  -2.519  -4.109
  184    H    ILE  21           HN       ILE  21 -15.800  -0.312  -0.715
  185    HA   ILE  21           HA       ILE  21 -17.022  -2.425   0.732
  186    HB   ILE  21           HB       ILE  21 -14.682  -2.544  -0.036
  187   1HG1  ILE  21          HG11      ILE  21 -15.547  -3.211   2.624
  188   2HG1  ILE  21          HG12      ILE  21 -13.862  -2.726   2.690
  189   1HG2  ILE  21          HG21      ILE  21 -12.944  -1.187   1.194
  190   2HG2  ILE  21          HG22      ILE  21 -14.231  -0.343   2.044
  191   3HG2  ILE  21          HG23      ILE  21 -14.071  -0.179   0.301
  192   1HD1  ILE  21           HD1      ILE  21 -14.083  -5.143   2.210
  193   2HD1  ILE  21           HD2      ILE  21 -13.350  -4.299   0.849
  194   3HD1  ILE  21           HD3      ILE  21 -15.045  -4.772   0.782
  195    NH1  ARG  22           NH2      ARG  22 -12.424   5.809   3.573
  196    NH2  ARG  22           NH1      ARG  22 -11.833   5.464   5.754
  197    H    ARG  22           HN       ARG  22 -16.133   0.828   1.688
  198    HA   ARG  22           HA       ARG  22 -16.426   0.356   4.532
  199   1HB   ARG  22           HB1      ARG  22 -16.850   2.961   4.456
  200   2HB   ARG  22           HB2      ARG  22 -16.471   2.820   2.745
  201   1HG   ARG  22           HG1      ARG  22 -14.330   1.621   3.432
  202   2HG   ARG  22           HG2      ARG  22 -14.692   2.093   5.088
  203   1HD   ARG  22           HD1      ARG  22 -14.958   4.503   4.030
  204   2HD   ARG  22           HD2      ARG  22 -13.958   3.829   2.744
  205    HE   ARG  22           HE       ARG  22 -12.680   3.174   5.171
  206   1HH1  ARG  22          HH21      ARG  22 -12.883   5.481   2.749
  207   2HH1  ARG  22          HH22      ARG  22 -11.966   6.699   3.571
  208   1HH2  ARG  22          HH11      ARG  22 -11.850   4.877   6.563
  209   2HH2  ARG  22          HH12      ARG  22 -11.366   6.348   5.788
  210    H    THR  23           HN       THR  23 -18.681   0.664   1.962
  211    HA   THR  23           HA       THR  23 -20.838   1.642   3.664
  212    HB   THR  23           HB       THR  23 -21.286   0.138   1.043
  213    HG1  THR  23           HG1      THR  23 -19.862   1.518   0.288
  214   1HG2  THR  23          HG21      THR  23 -23.078   1.419   2.618
  215   2HG2  THR  23          HG22      THR  23 -23.142   1.648   0.872
  216   3HG2  THR  23          HG23      THR  23 -22.360   2.855   1.891
  217    H    HIS  24           HN       HIS  24 -19.310  -1.337   3.407
  218    HA   HIS  24           HA       HIS  24 -21.754  -2.897   4.027
  219   1HB   HIS  24           HB1      HIS  24 -19.921  -4.778   4.269
  220   2HB   HIS  24           HB2      HIS  24 -18.821  -3.593   3.574
  221    HD1  HIS  24           HD1      HIS  24 -22.259  -4.821   2.606
  222    HD2  HIS  24           HD2      HIS  24 -18.678  -3.926   0.889
  223    HE1  HIS  24           HE1      HIS  24 -22.551  -5.236   0.183
  224    H    THR  25           HN       THR  25 -19.921  -0.865   5.753
  225    HA   THR  25           HA       THR  25 -19.518  -2.590   8.114
  226    HB   THR  25           HB       THR  25 -18.886  -0.166   9.063
  227    HG1  THR  25           HG1      THR  25 -18.269   0.782   6.758
  228   1HG2  THR  25          HG21      THR  25 -16.725  -0.180   7.702
  229   2HG2  THR  25          HG22      THR  25 -17.423  -1.444   6.694
  230   3HG2  THR  25          HG23      THR  25 -17.082  -1.760   8.392
  231    H    ASP  26           HN       ASP  26 -20.576   0.629   8.589
  232    HA   ASP  26           HA       ASP  26 -23.351  -0.112   9.134
  233   1HB   ASP  26           HB1      ASP  26 -23.153   0.635  11.560
  234   2HB   ASP  26           HB2      ASP  26 -21.404   0.690  11.355
  235    H    VAL  27           HN       VAL  27 -21.796   1.705   7.513
  236    HA   VAL  27           HA       VAL  27 -22.466   4.350   8.647
  237    HB   VAL  27           HB       VAL  27 -20.267   4.091   7.634
  238   1HG1  VAL  27          HG11      VAL  27 -21.823   2.937   5.325
  239   2HG1  VAL  27          HG12      VAL  27 -20.555   2.165   6.275
  240   3HG1  VAL  27          HG13      VAL  27 -20.153   3.466   5.156
  241   1HG2  VAL  27          HG21      VAL  27 -22.025   6.070   6.866
  242   2HG2  VAL  27          HG22      VAL  27 -21.456   5.460   5.313
  243   3HG2  VAL  27          HG23      VAL  27 -20.303   6.063   6.498
  244    NH1  ARG  28           NH1      ARG  28 -25.659  -0.542   8.537
  245    NH2  ARG  28           NH2      ARG  28 -26.221  -2.103   6.966
  246    H    ARG  28           HN       ARG  28 -24.698   2.888   8.128
  247    HA   ARG  28           HA       ARG  28 -25.865   4.156   5.677
  248   1HB   ARG  28           HB1      ARG  28 -27.554   2.192   5.939
  249   2HB   ARG  28           HB2      ARG  28 -26.402   1.507   7.079
  250   1HG   ARG  28           HG1      ARG  28 -24.684   1.988   5.104
  251   2HG   ARG  28           HG2      ARG  28 -26.137   1.892   4.121
  252   1HD   ARG  28           HD1      ARG  28 -25.115  -0.336   4.305
  253   2HD   ARG  28           HD2      ARG  28 -26.659  -0.319   5.153
  254    HE   ARG  28           HE       ARG  28 -24.027  -0.080   6.559
  255   1HH1  ARG  28          HH11      ARG  28 -25.188   0.309   8.767
  256   2HH1  ARG  28          HH12      ARG  28 -26.158  -1.045   9.242
  257   1HH2  ARG  28          HH21      ARG  28 -26.171  -2.422   6.020
  258   2HH2  ARG  28          HH22      ARG  28 -26.729  -2.632   7.646
  259    HA   PRO  29           HA       PRO  29 -27.904   5.962   9.462
  260   1HB   PRO  29           HB1      PRO  29 -27.410   8.190   9.259
  261   2HB   PRO  29           HB2      PRO  29 -28.444   8.322   7.835
  262   1HG   PRO  29           HG1      PRO  29 -25.527   8.202   7.949
  263   2HG   PRO  29           HG2      PRO  29 -26.554   8.499   6.545
  264   1HD   PRO  29           HD1      PRO  29 -26.257   6.367   5.811
  265   2HD   PRO  29           HD2      PRO  29 -25.085   6.120   7.114
  266    OH   TYR  30           OH       TYR  30 -29.589  10.634   3.102
  267    H    TYR  30           HN       TYR  30 -28.950   5.328   6.246
  268    HA   TYR  30           HA       TYR  30 -31.726   6.161   6.824
  269   1HB   TYR  30           HB1      TYR  30 -32.163   5.251   4.507
  270   2HB   TYR  30           HB2      TYR  30 -30.493   4.713   4.428
  271    HD1  TYR  30           HD1      TYR  30 -32.458   7.813   5.175
  272    HD2  TYR  30           HD2      TYR  30 -28.916   6.173   3.482
  273    HE1  TYR  30           HE1      TYR  30 -31.783  10.046   4.422
  274    HE2  TYR  30           HE2      TYR  30 -28.241   8.408   2.734
  275    HH   TYR  30           HH       TYR  30 -30.328  11.021   2.628
  276    H    HIS  31           HN       HIS  31 -32.155   4.764   8.608
  277    HA   HIS  31           HA       HIS  31 -32.237   1.852   7.993
  278   1HB   HIS  31           HB1      HIS  31 -32.452   1.534  10.382
  279   2HB   HIS  31           HB2      HIS  31 -32.928   3.210  10.632
  280    HD1  HIS  31           HD1      HIS  31 -29.955   1.179  10.032
  281    HD2  HIS  31           HD2      HIS  31 -30.828   5.092  10.644
  282    HE1  HIS  31           HE1      HIS  31 -27.810   2.239  10.431
  283    H    CYS  32           HN       CYS  32 -34.124   0.719   7.817
  284    HA   CYS  32           HA       CYS  32 -36.520   2.079   7.147
  285   1HB   CYS  32           HB1      CYS  32 -35.879  -0.749   8.023
  286   2HB   CYS  32           HB2      CYS  32 -36.333  -0.190   6.436
  287    H    THR  33           HN       THR  33 -38.475   2.342   8.295
  288    HA   THR  33           HA       THR  33 -38.055   2.925  11.127
  289    HB   THR  33           HB       THR  33 -40.729   2.995   9.623
  290    HG1  THR  33           HG1      THR  33 -39.884   4.552   8.490
  291   1HG2  THR  33          HG21      THR  33 -40.692   3.588  12.105
  292   2HG2  THR  33          HG22      THR  33 -41.053   4.993  11.107
  293   3HG2  THR  33          HG23      THR  33 -39.436   4.775  11.767
  294    OH   TYR  34           OH       TYR  34 -44.665   2.232   9.763
  295    H    TYR  34           HN       TYR  34 -38.243   0.097   9.836
  296    HA   TYR  34           HA       TYR  34 -39.807  -1.029  12.091
  297   1HB   TYR  34           HB1      TYR  34 -40.983  -2.599  10.558
  298   2HB   TYR  34           HB2      TYR  34 -40.165  -1.884   9.174
  299    HD1  TYR  34           HD2      TYR  34 -40.760   0.388   8.414
  300    HD2  TYR  34           HD1      TYR  34 -42.794  -1.413  11.685
  301    HE1  TYR  34           HE2      TYR  34 -42.533   2.072   8.239
  302    HE2  TYR  34           HE1      TYR  34 -44.567   0.271  11.508
  303    HH   TYR  34           HH       TYR  34 -45.387   1.850   9.257
  304    H    CYS  35           HN       CYS  35 -38.283  -2.282   9.134
  305    HA   CYS  35           HA       CYS  35 -37.164  -4.579  10.389
  306   1HB   CYS  35           HB1      CYS  35 -35.793  -4.761   8.373
  307   2HB   CYS  35           HB2      CYS  35 -36.028  -3.079   8.005
  308    H    ASN  36           HN       ASN  36 -34.551  -4.666   9.686
  309    HA   ASN  36           HA       ASN  36 -33.275  -2.616  11.453
  310   1HB   ASN  36           HB1      ASN  36 -32.568  -5.575  11.090
  311   2HB   ASN  36           HB2      ASN  36 -33.355  -4.888  12.509
  312   1HD2  ASN  36          HD21      ASN  36 -30.824  -6.228  12.678
  313   2HD2  ASN  36          HD22      ASN  36 -29.644  -5.085  13.107
  314    H    PHE  37           HN       PHE  37 -33.633  -3.466   8.388
  315    HA   PHE  37           HA       PHE  37 -30.815  -3.459   7.557
  316   1HB   PHE  37           HB1      PHE  37 -33.141  -3.043   5.666
  317   2HB   PHE  37           HB2      PHE  37 -32.938  -4.624   6.423
  318    HD1  PHE  37           HD2      PHE  37 -30.564  -5.698   6.252
  319    HD2  PHE  37           HD1      PHE  37 -31.865  -2.494   3.769
  320    HE1  PHE  37           HE2      PHE  37 -28.804  -6.239   4.627
  321    HE2  PHE  37           HE1      PHE  37 -30.105  -3.039   2.147
  322    HZ   PHE  37           HZ       PHE  37 -28.573  -4.910   2.574
  323    H    SER  38           HN       SER  38 -29.873  -1.824   6.271
  324    HA   SER  38           HA       SER  38 -31.341   0.743   6.163
  325   1HB   SER  38           HB1      SER  38 -28.507   0.531   7.284
  326   2HB   SER  38           HB2      SER  38 -29.948   0.635   8.310
  327    HG   SER  38           HG1      SER  38 -29.573   2.715   7.959
  328    H    PHE  39           HN       PHE  39 -30.296   2.342   4.828
  329    HA   PHE  39           HA       PHE  39 -28.514   1.114   2.766
  330   1HB   PHE  39           HB1      PHE  39 -29.842   2.157   1.068
  331   2HB   PHE  39           HB2      PHE  39 -30.593   3.261   2.221
  332    HD1  PHE  39           HD2      PHE  39 -32.183   2.319   3.957
  333    HD2  PHE  39           HD1      PHE  39 -30.777  -0.032   0.696
  334    HE1  PHE  39           HE2      PHE  39 -33.940   0.662   4.392
  335    HE2  PHE  39           HE1      PHE  39 -32.558  -1.672   1.119
  336    HZ   PHE  39           HZ       PHE  39 -34.138  -1.327   2.971
  337    H    LYS  40           HN       LYS  40 -27.254   2.694   1.551
  338    HA   LYS  40           HA       LYS  40 -26.187   4.742   3.374
  339   1HB   LYS  40           HB1      LYS  40 -25.354   3.708   0.630
  340   2HB   LYS  40           HB2      LYS  40 -24.630   3.289   2.163
  341   1HG   LYS  40           HG1      LYS  40 -24.568   6.026   0.843
  342   2HG   LYS  40           HG2      LYS  40 -23.212   4.930   1.036
  343   1HD   LYS  40           HD1      LYS  40 -23.869   5.055   3.589
  344   2HD   LYS  40           HD2      LYS  40 -24.609   6.573   3.114
  345   1HE   LYS  40           HE1      LYS  40 -22.330   7.046   3.783
  346   2HE   LYS  40           HE2      LYS  40 -22.421   7.216   2.034
  347   1HZ   LYS  40           HZ1      LYS  40 -20.710   5.605   3.464
  348   2HZ   LYS  40           HZ2      LYS  40 -20.933   5.626   1.782
  349   3HZ   LYS  40           HZ3      LYS  40 -21.822   4.543   2.742
  350    H    THR  41           HN       THR  41 -28.378   4.569   0.772
  351    HA   THR  41           HA       THR  41 -28.278   7.550   0.520
  352    HB   THR  41           HB       THR  41 -28.637   7.356  -1.882
  353    HG1  THR  41           HG1      THR  41 -29.901   5.759  -2.404
  354   1HG2  THR  41          HG21      THR  41 -26.978   4.850  -1.279
  355   2HG2  THR  41          HG22      THR  41 -26.303   6.454  -1.006
  356   3HG2  THR  41          HG23      THR  41 -26.779   5.964  -2.628
  357    H    LYS  42           HN       LYS  42 -30.259   8.561   0.002
  358    HA   LYS  42           HA       LYS  42 -32.494   7.402   1.385
  359   1HB   LYS  42           HB1      LYS  42 -32.622   9.782  -0.500
  360   2HB   LYS  42           HB2      LYS  42 -31.859   9.920   1.080
  361   1HG   LYS  42           HG1      LYS  42 -33.919   9.270   2.196
  362   2HG   LYS  42           HG2      LYS  42 -34.690   8.909   0.655
  363   1HD   LYS  42           HD1      LYS  42 -34.884  11.167   0.072
  364   2HD   LYS  42           HD2      LYS  42 -33.555  11.654   1.118
  365   1HE   LYS  42           HE1      LYS  42 -34.925  11.230   3.107
  366   2HE   LYS  42           HE2      LYS  42 -36.239  10.632   2.104
  367   1HZ   LYS  42           HZ1      LYS  42 -36.941  12.681   1.753
  368   2HZ   LYS  42           HZ2      LYS  42 -35.404  13.206   1.255
  369   3HZ   LYS  42           HZ3      LYS  42 -35.816  13.224   2.903
  370    H    GLY  43           HN       GLY  43 -31.360   7.281  -1.826
  371   1HA   GLY  43           HA1      GLY  43 -32.287   6.373  -3.786
  372   2HA   GLY  43           HA2      GLY  43 -33.851   6.943  -3.210
  373    H    ASN  44           HN       ASN  44 -31.458   4.397  -2.549
  374    HA   ASN  44           HA       ASN  44 -33.095   2.203  -2.994
  375   1HB   ASN  44           HB1      ASN  44 -31.600   1.073  -1.193
  376   2HB   ASN  44           HB2      ASN  44 -30.852   2.653  -0.984
  377   1HD2  ASN  44          HD21      ASN  44 -31.190   3.341  -3.883
  378   2HD2  ASN  44          HD22      ASN  44 -30.017   2.430  -4.706
  379    H    LEU  45           HN       LEU  45 -32.938   4.248  -0.144
  380    HA   LEU  45           HA       LEU  45 -34.457   2.589   1.597
  381   1HB   LEU  45           HB1      LEU  45 -34.218   5.641   1.391
  382   2HB   LEU  45           HB2      LEU  45 -33.247   4.592   2.401
  383    HG   LEU  45           HG       LEU  45 -34.847   5.533   3.890
  384   1HD1  LEU  45          HD11      LEU  45 -36.952   6.211   3.342
  385   2HD1  LEU  45          HD12      LEU  45 -37.337   4.710   2.518
  386   3HD1  LEU  45          HD13      LEU  45 -36.445   5.966   1.679
  387   1HD2  LEU  45          HD21      LEU  45 -36.136   2.892   3.144
  388   2HD2  LEU  45          HD22      LEU  45 -36.011   3.630   4.734
  389   3HD2  LEU  45          HD23      LEU  45 -34.574   2.993   3.943
  390    H    THR  46           HN       THR  46 -35.469   5.202  -0.591
  391    HA   THR  46           HA       THR  46 -38.247   5.055  -0.069
  392    HB   THR  46           HB       THR  46 -36.834   5.675  -2.737
  393    HG1  THR  46           HG1      THR  46 -37.209   6.922  -0.285
  394   1HG2  THR  46          HG21      THR  46 -38.958   6.245  -3.477
  395   2HG2  THR  46          HG22      THR  46 -39.158   7.293  -2.077
  396   3HG2  THR  46          HG23      THR  46 -39.636   5.602  -1.985
  397    H    LYS  47           HN       LYS  47 -36.183   3.112  -2.142
  398    HA   LYS  47           HA       LYS  47 -38.249   1.776  -3.587
  399   1HB   LYS  47           HB1      LYS  47 -36.170  -0.095  -3.218
  400   2HB   LYS  47           HB2      LYS  47 -35.363   1.462  -3.102
  401   1HG   LYS  47           HG1      LYS  47 -36.626   2.114  -5.237
  402   2HG   LYS  47           HG2      LYS  47 -37.038   0.410  -5.391
  403   1HD   LYS  47           HD1      LYS  47 -34.235   1.568  -5.241
  404   2HD   LYS  47           HD2      LYS  47 -34.999   0.889  -6.672
  405   1HE   LYS  47           HE1      LYS  47 -35.325  -1.239  -5.175
  406   2HE   LYS  47           HE2      LYS  47 -34.057  -0.526  -4.186
  407   1HZ   LYS  47           HZ1      LYS  47 -32.511  -0.755  -5.825
  408   2HZ   LYS  47           HZ2      LYS  47 -33.653  -0.720  -7.082
  409   3HZ   LYS  47           HZ3      LYS  47 -33.476  -2.118  -6.133
  410    H    HIS  48           HN       HIS  48 -36.661   1.011  -0.507
  411    HA   HIS  48           HA       HIS  48 -38.073  -1.472  -0.124
  412   1HB   HIS  48           HB1      HIS  48 -36.766   0.451   1.871
  413   2HB   HIS  48           HB2      HIS  48 -36.019  -0.974   1.156
  414    HD1  HIS  48           HD1      HIS  48 -37.876  -3.125   1.650
  415    HD2  HIS  48           HD2      HIS  48 -37.533  -0.160   4.442
  416    HE1  HIS  48           HE1      HIS  48 -38.697  -4.102   3.738
  417    H    MET  49           HN       MET  49 -38.866   1.856   0.414
  418    HA   MET  49           HA       MET  49 -41.151   1.202   2.150
  419   1HB   MET  49           HB1      MET  49 -41.579   3.757   1.748
  420   2HB   MET  49           HB2      MET  49 -40.016   3.753   0.938
  421   1HG   MET  49           HG1      MET  49 -39.668   4.355   3.242
  422   2HG   MET  49           HG2      MET  49 -38.993   2.772   2.967
  423   1HE   MET  49           HE1      MET  49 -39.838   2.828   6.658
  424   2HE   MET  49           HE2      MET  49 -38.826   3.606   5.440
  425   3HE   MET  49           HE3      MET  49 -38.859   1.847   5.566
  426    H    LYS  50           HN       LYS  50 -40.524   1.987  -1.203
  427    HA   LYS  50           HA       LYS  50 -43.111   2.655  -2.078
  428   1HB   LYS  50           HB1      LYS  50 -40.977   0.958  -3.467
  429   2HB   LYS  50           HB2      LYS  50 -41.123   2.708  -3.562
  430   1HG   LYS  50           HG1      LYS  50 -43.473   2.334  -4.497
  431   2HG   LYS  50           HG2      LYS  50 -43.045   0.634  -4.648
  432   1HD   LYS  50           HD1      LYS  50 -42.276   1.268  -6.706
  433   2HD   LYS  50           HD2      LYS  50 -40.864   1.801  -5.800
  434   1HE   LYS  50           HE1      LYS  50 -41.472   3.706  -7.070
  435   2HE   LYS  50           HE2      LYS  50 -42.152   4.026  -5.480
  436   1HZ   LYS  50           HZ1      LYS  50 -44.098   2.625  -6.773
  437   2HZ   LYS  50           HZ2      LYS  50 -43.477   3.651  -7.976
  438   3HZ   LYS  50           HZ3      LYS  50 -44.067   4.305  -6.525
  439    H    SER  51           HN       SER  51 -41.667  -0.600  -2.321
  440    HA   SER  51           HA       SER  51 -43.919  -2.034  -3.046
  441   1HB   SER  51           HB1      SER  51 -42.043  -3.041  -0.854
  442   2HB   SER  51           HB2      SER  51 -41.515  -2.911  -2.543
  443    HG   SER  51           HG1      SER  51 -43.616  -4.024  -2.983
  444    H    LYS  52           HN       LYS  52 -45.312  -3.457  -1.709
  445    HA   LYS  52           HA       LYS  52 -46.657  -1.853   0.306
  446   1HB   LYS  52           HB1      LYS  52 -47.270  -4.775   0.066
  447   2HB   LYS  52           HB2      LYS  52 -47.467  -3.830  -1.407
  448   1HG   LYS  52           HG1      LYS  52 -48.930  -2.248  -0.210
  449   2HG   LYS  52           HG2      LYS  52 -48.711  -3.155   1.281
  450   1HD   LYS  52           HD1      LYS  52 -49.718  -5.150   0.215
  451   2HD   LYS  52           HD2      LYS  52 -49.936  -4.243  -1.278
  452   1HE   LYS  52           HE1      LYS  52 -51.211  -2.536   0.257
  453   2HE   LYS  52           HE2      LYS  52 -51.336  -3.896   1.366
  454   1HZ   LYS  52           HZ1      LYS  52 -52.025  -4.912  -1.081
  455   2HZ   LYS  52           HZ2      LYS  52 -52.772  -3.387  -1.033
  456   3HZ   LYS  52           HZ3      LYS  52 -53.082  -4.524   0.189
  457    H    ALA  53           HN       ALA  53 -43.963  -2.466   1.009
  458    HA   ALA  53           HA       ALA  53 -43.641  -4.636   2.776
  459   1HB   ALA  53           HB1      ALA  53 -42.526  -1.793   2.936
  460   2HB   ALA  53           HB2      ALA  53 -41.762  -3.167   2.144
  461   3HB   ALA  53           HB3      ALA  53 -41.923  -3.140   3.896
  462    H    HIS  54           HN       HIS  54 -43.316  -1.786   4.594
  463    HA   HIS  54           HA       HIS  54 -45.930  -2.091   5.908
  464   1HB   HIS  54           HB1      HIS  54 -44.880  -3.628   7.305
  465   2HB   HIS  54           HB2      HIS  54 -44.413  -2.155   8.143
  466    HD1  HIS  54           HD1      HIS  54 -42.924  -5.045   6.890
  467    HD2  HIS  54           HD2      HIS  54 -41.741  -1.131   6.919
  468    HE1  HIS  54           HE1      HIS  54 -40.495  -5.092   6.593
  469    H    SER  55           HN       SER  55 -46.272   0.042   5.252
  470    HA   SER  55           HA       SER  55 -44.710   2.066   6.819
  471   1HB   SER  55           HB1      SER  55 -45.385   3.631   4.830
  472   2HB   SER  55           HB2      SER  55 -45.757   2.135   3.951
  473    HG   SER  55           HG1      SER  55 -43.426   2.029   5.380
  474    H    LYS  56           HN       LYS  56 -47.336   0.554   7.187
  475    HA   LYS  56           HA       LYS  56 -48.868   2.964   7.987
  476   1HB   LYS  56           HB1      LYS  56 -50.973   1.725   7.081
  477   2HB   LYS  56           HB2      LYS  56 -49.850   0.718   6.174
  478   1HG   LYS  56           HG1      LYS  56 -48.911   2.713   5.082
  479   2HG   LYS  56           HG2      LYS  56 -49.976   3.749   6.026
  480   1HD   LYS  56           HD1      LYS  56 -51.941   2.811   4.970
  481   2HD   LYS  56           HD2      LYS  56 -50.985   1.561   4.184
  482   1HE   LYS  56           HE1      LYS  56 -51.421   3.290   2.544
  483   2HE   LYS  56           HE2      LYS  56 -49.721   3.390   2.985
  484   1HZ   LYS  56           HZ1      LYS  56 -51.455   4.978   4.643
  485   2HZ   LYS  56           HZ2      LYS  56 -51.449   5.449   3.011
  486   3HZ   LYS  56           HZ3      LYS  56 -49.993   5.393   3.884
  487    H    LYS  57           HN       LYS  57 -50.288  -0.204   7.816
  488    HA   LYS  57           HA       LYS  57 -51.049  -0.275  10.515
  489   1HB   LYS  57           HB1      LYS  57 -50.434  -2.610   8.642
  490   2HB   LYS  57           HB2      LYS  57 -51.982  -1.781   8.762
  491   1HG   LYS  57           HG1      LYS  57 -52.539  -3.270  10.373
  492   2HG   LYS  57           HG2      LYS  57 -51.356  -2.475  11.405
  493   1HD   LYS  57           HD1      LYS  57 -49.589  -3.978  10.542
  494   2HD   LYS  57           HD2      LYS  57 -50.766  -4.767   9.499
  495   1HE   LYS  57           HE1      LYS  57 -51.364  -4.582  12.430
  496   2HE   LYS  57           HE2      LYS  57 -50.182  -5.768  11.895
  497   1HZ   LYS  57           HZ1      LYS  57 -52.301  -5.977  10.150
  498   2HZ   LYS  57           HZ2      LYS  57 -53.002  -5.841  11.691
  499   3HZ   LYS  57                 LYS  57 -51.870  -7.068  11.378
   
  Start of MODEL          56
 Raw file had 499 H/Q atoms
  Start of MODEL   56
    1   1H    LYS   1           HT1      LYS   1  -9.095  -5.567  -9.365
    2   2H    LYS   1           HT2      LYS   1  -8.756  -3.971  -9.836
    3   3H    LYS   1           HT3      LYS   1  -8.363  -5.263 -10.867
    4    HA   LYS   1           HA       LYS   1 -10.325  -4.135 -11.655
    5   1HB   LYS   1           HB1      LYS   1 -11.897  -6.163 -11.541
    6   2HB   LYS   1           HB2      LYS   1 -10.748  -6.904 -10.433
    7   1HG   LYS   1           HG1      LYS   1  -9.916  -7.742 -12.422
    8   2HG   LYS   1           HG2      LYS   1  -9.024  -6.226 -12.372
    9   1HD   LYS   1           HD1      LYS   1 -11.086  -5.230 -13.619
   10   2HD   LYS   1           HD2      LYS   1 -11.485  -6.906 -13.980
   11   1HE   LYS   1           HE1      LYS   1 -10.123  -6.517 -15.792
   12   2HE   LYS   1           HE2      LYS   1  -8.863  -6.931 -14.637
   13   1HZ   LYS   1           HZ1      LYS   1  -8.798  -4.721 -16.026
   14   2HZ   LYS   1           HZ2      LYS   1  -8.199  -4.794 -14.439
   15   3HZ   LYS   1           HZ3      LYS   1  -9.743  -4.151 -14.736
   16    OH   TYR   2           OH       TYR   2  -8.433   1.467  -9.663
   17    H    TYR   2           HN       TYR   2 -12.128  -3.019 -11.186
   18    HA   TYR   2           HA       TYR   2 -12.852  -2.803  -8.320
   19   1HB   TYR   2           HB1      TYR   2 -14.092  -0.796  -9.042
   20   2HB   TYR   2           HB2      TYR   2 -13.842  -1.212 -10.736
   21    HD1  TYR   2           HD2      TYR   2 -12.078  -0.263  -7.609
   22    HD2  TYR   2           HD1      TYR   2 -11.790  -0.659 -11.831
   23    HE1  TYR   2           HE2      TYR   2  -9.935   0.930  -7.575
   24    HE2  TYR   2           HE1      TYR   2  -9.640   0.521 -11.798
   25    HH   TYR   2           HH       TYR   2  -8.539   2.257  -9.126
   26    H    ILE   3           HN       ILE   3 -13.879  -4.912  -8.285
   27    HA   ILE   3           HA       ILE   3 -16.715  -4.689  -9.111
   28    HB   ILE   3           HB       ILE   3 -15.095  -7.236  -9.541
   29   1HG1  ILE   3          HG11      ILE   3 -14.138  -5.532 -10.996
   30   2HG1  ILE   3          HG12      ILE   3 -15.740  -5.024 -11.521
   31   1HG2  ILE   3          HG21      ILE   3 -17.637  -6.355 -10.958
   32   2HG2  ILE   3          HG22      ILE   3 -17.734  -7.071  -9.352
   33   3HG2  ILE   3          HG23      ILE   3 -17.049  -7.992 -10.687
   34   1HD1  ILE   3           HD1      ILE   3 -16.103  -6.997 -12.750
   35   2HD1  ILE   3           HD2      ILE   3 -14.888  -7.897 -11.845
   36   3HD1  ILE   3           HD3      ILE   3 -14.390  -6.691 -13.027
   37    H    CYS   4           HN       CYS   4 -17.673  -4.742  -7.130
   38    HA   CYS   4           HA       CYS   4 -16.551  -6.048  -4.875
   39   1HB   CYS   4           HB1      CYS   4 -19.434  -5.364  -5.507
   40   2HB   CYS   4           HB2      CYS   4 -18.318  -4.394  -4.592
   41    H    GLU   5           HN       GLU   5 -16.026  -8.100  -4.944
   42    HA   GLU   5           HA       GLU   5 -17.211 -10.136  -6.457
   43   1HB   GLU   5           HB1      GLU   5 -16.249 -11.639  -4.523
   44   2HB   GLU   5           HB2      GLU   5 -15.660 -10.124  -3.847
   45   1HG   GLU   5           HG1      GLU   5 -14.391  -9.653  -5.877
   46   2HG   GLU   5           HG2      GLU   5 -15.079 -11.062  -6.680
   47    H    GLU   6           HN       GLU   6 -18.368  -8.664  -3.550
   48    HA   GLU   6           HA       GLU   6 -20.099 -10.880  -2.852
   49   1HB   GLU   6           HB1      GLU   6 -20.502  -8.052  -1.877
   50   2HB   GLU   6           HB2      GLU   6 -19.088  -8.947  -1.339
   51   1HG   GLU   6           HG1      GLU   6 -20.573 -10.787  -0.557
   52   2HG   GLU   6           HG2      GLU   6 -21.978  -9.843  -1.049
   53    H    CYS   7           HN       CYS   7 -20.861  -7.503  -3.722
   54    HA   CYS   7           HA       CYS   7 -23.545  -8.324  -4.569
   55   1HB   CYS   7           HB1      CYS   7 -23.890  -5.983  -5.044
   56   2HB   CYS   7           HB2      CYS   7 -22.181  -5.674  -5.125
   57    H    GLY   8           HN       GLY   8 -20.727  -6.877  -6.149
   58   1HA   GLY   8           HA1      GLY   8 -21.636  -8.097  -8.723
   59   2HA   GLY   8           HA2      GLY   8 -19.946  -7.844  -8.298
   60    H    ILE   9           HN       ILE   9 -21.036  -5.203  -7.043
   61    HA   ILE   9           HA       ILE   9 -21.989  -3.563  -9.129
   62    HB   ILE   9           HB       ILE   9 -21.747  -3.063  -6.576
   63   1HG1  ILE   9          HG11      ILE   9 -21.418  -1.210  -8.885
   64   2HG1  ILE   9          HG12      ILE   9 -21.122  -0.540  -7.285
   65   1HG2  ILE   9          HG21      ILE   9 -19.101  -1.847  -7.506
   66   2HG2  ILE   9          HG22      ILE   9 -19.161  -3.440  -6.762
   67   3HG2  ILE   9          HG23      ILE   9 -19.687  -2.031  -5.862
   68   1HD1  ILE   9           HD1      ILE   9 -23.517  -0.334  -7.968
   69   2HD1  ILE   9           HD2      ILE   9 -23.320  -1.314  -6.518
   70   3HD1  ILE   9           HD3      ILE   9 -23.613  -2.090  -8.072
   71    NH1  ARG  10           NH1      ARG  10 -15.484  -4.494 -15.936
   72    NH2  ARG  10           NH2      ARG  10 -16.709  -4.815 -17.840
   73    H    ARG  10           HN       ARG  10 -21.072  -2.799 -10.906
   74    HA   ARG  10           HA       ARG  10 -18.139  -3.164 -11.232
   75   1HB   ARG  10           HB1      ARG  10 -20.331  -2.551 -13.270
   76   2HB   ARG  10           HB2      ARG  10 -19.695  -4.153 -12.928
   77   1HG   ARG  10           HG1      ARG  10 -17.376  -2.781 -13.407
   78   2HG   ARG  10           HG2      ARG  10 -18.486  -1.929 -14.476
   79   1HD   ARG  10           HD1      ARG  10 -19.238  -4.323 -15.215
   80   2HD   ARG  10           HD2      ARG  10 -17.714  -4.845 -14.500
   81    HE   ARG  10           HE       ARG  10 -17.750  -2.706 -16.586
   82   1HH1  ARG  10          HH11      ARG  10 -15.404  -4.080 -15.030
   83   2HH1  ARG  10          HH12      ARG  10 -14.742  -5.059 -16.296
   84   1HH2  ARG  10          HH21      ARG  10 -17.547  -4.641 -18.359
   85   2HH2  ARG  10          HH22      ARG  10 -15.988  -5.386 -18.231
   86    H    ABA  11           HN       ABU  11 -17.075  -1.401 -10.553
   87    HA   ABA  11           HA       ABU  11 -17.900   1.226 -11.722
   88   1HB   ABA  11           HB1      ABU  11 -17.345   2.310  -9.608
   89   2HB   ABA  11           HB2      ABU  11 -16.725   0.816  -8.943
   90   1HG   ABA  11           HG1      ABU  11 -18.952   1.191  -8.033
   91   2HG   ABA  11           HG2      ABU  11 -19.032  -0.169  -9.147
   92   3HG   ABA  11           HG3      ABU  11 -19.612   1.414  -9.649
   93    H    LYS  12           HN       LYS  12 -16.307   0.959 -13.317
   94    HA   LYS  12           HA       LYS  12 -13.644   0.214 -12.982
   95   1HB   LYS  12           HB1      LYS  12 -13.208   1.559 -15.022
   96   2HB   LYS  12           HB2      LYS  12 -14.713   2.438 -14.780
   97   1HG   LYS  12           HG1      LYS  12 -15.959   0.276 -14.961
   98   2HG   LYS  12           HG2      LYS  12 -14.439  -0.542 -15.304
   99   1HD   LYS  12           HD1      LYS  12 -15.110  -0.106 -17.474
  100   2HD   LYS  12           HD2      LYS  12 -14.256   1.397 -17.147
  101   1HE   LYS  12           HE1      LYS  12 -16.435   2.393 -16.374
  102   2HE   LYS  12           HE2      LYS  12 -17.242   0.917 -16.889
  103   1HZ   LYS  12           HZ1      LYS  12 -16.864   3.058 -18.442
  104   2HZ   LYS  12           HZ2      LYS  12 -17.094   1.480 -19.028
  105   3HZ   LYS  12           HZ3      LYS  12 -15.523   2.110 -18.878
  106    H    LYS  13           HN       LYS  13 -15.156   2.900 -11.581
  107    HA   LYS  13           HA       LYS  13 -12.602   4.383 -11.362
  108   1HB   LYS  13           HB1      LYS  13 -14.093   6.182 -10.371
  109   2HB   LYS  13           HB2      LYS  13 -15.465   5.109 -10.626
  110   1HG   LYS  13           HG1      LYS  13 -15.544   6.285 -12.618
  111   2HG   LYS  13           HG2      LYS  13 -14.440   4.999 -13.096
  112   1HD   LYS  13           HD1      LYS  13 -12.522   6.481 -12.407
  113   2HD   LYS  13           HD2      LYS  13 -13.682   7.775 -12.129
  114   1HE   LYS  13           HE1      LYS  13 -13.205   6.338 -14.761
  115   2HE   LYS  13           HE2      LYS  13 -12.718   7.985 -14.378
  116   1HZ   LYS  13           HZ1      LYS  13 -14.969   8.654 -14.216
  117   2HZ   LYS  13           HZ2      LYS  13 -15.530   7.055 -14.327
  118   3HZ   LYS  13           HZ3      LYS  13 -14.806   7.796 -15.673
  119    HA   PRO  14           HA       PRO  14 -12.006   2.797  -7.216
  120   1HB   PRO  14           HB1      PRO  14  -9.878   3.618  -6.879
  121   2HB   PRO  14           HB2      PRO  14 -10.596   5.098  -6.240
  122   1HG   PRO  14           HG1      PRO  14  -9.118   4.860  -8.656
  123   2HG   PRO  14           HG2      PRO  14 -10.065   6.261  -8.150
  124   1HD   PRO  14           HD1      PRO  14 -11.485   5.829  -9.895
  125   2HD   PRO  14           HD2      PRO  14 -10.664   4.289 -10.222
  126    H    SER  15           HN       SER  15 -12.180   6.341  -6.900
  127    HA   SER  15           HA       SER  15 -13.392   6.699  -4.510
  128   1HB   SER  15           HB1      SER  15 -12.986   8.538  -6.205
  129   2HB   SER  15           HB2      SER  15 -14.612   8.666  -5.505
  130    HG   SER  15           HG1      SER  15 -15.168   7.142  -7.314
  131    H    MET  16           HN       MET  16 -15.066   5.446  -7.355
  132    HA   MET  16           HA       MET  16 -17.662   5.451  -6.040
  133   1HB   MET  16           HB1      MET  16 -18.156   3.818  -8.033
  134   2HB   MET  16           HB2      MET  16 -16.527   4.218  -8.572
  135   1HG   MET  16           HG1      MET  16 -18.113   5.712  -9.635
  136   2HG   MET  16           HG2      MET  16 -17.095   6.604  -8.538
  137   1HE   MET  16           HE1      MET  16 -20.493   6.049  -9.863
  138   2HE   MET  16           HE2      MET  16 -19.627   7.579 -10.005
  139   3HE   MET  16           HE3      MET  16 -21.157   7.510  -9.132
  140    H    LEU  17           HN       LEU  17 -15.556   2.759  -7.130
  141    HA   LEU  17           HA       LEU  17 -16.935   0.751  -5.686
  142   1HB   LEU  17           HB1      LEU  17 -13.921   0.767  -6.057
  143   2HB   LEU  17           HB2      LEU  17 -14.970   0.609  -7.443
  144    HG   LEU  17           HG       LEU  17 -14.214  -1.606  -6.559
  145   1HD1  LEU  17          HD11      LEU  17 -15.956  -1.082  -4.148
  146   2HD1  LEU  17          HD12      LEU  17 -14.232  -0.755  -4.136
  147   3HD1  LEU  17          HD13      LEU  17 -14.816  -2.390  -4.410
  148   1HD2  LEU  17          HD21      LEU  17 -16.234  -2.663  -6.969
  149   2HD2  LEU  17          HD22      LEU  17 -16.617  -1.062  -7.577
  150   3HD2  LEU  17          HD23      LEU  17 -17.163  -1.544  -5.982
  151    H    LYS  18           HN       LYS  18 -14.013   2.545  -4.877
  152    HA   LYS  18           HA       LYS  18 -13.354   1.707  -2.386
  153   1HB   LYS  18           HB1      LYS  18 -13.753   4.671  -3.024
  154   2HB   LYS  18           HB2      LYS  18 -12.451   3.724  -3.725
  155   1HG   LYS  18           HG1      LYS  18 -11.529   4.798  -1.784
  156   2HG   LYS  18           HG2      LYS  18 -11.745   3.106  -1.368
  157   1HD   LYS  18           HD1      LYS  18 -13.464   3.547   0.121
  158   2HD   LYS  18           HD2      LYS  18 -14.028   4.952  -0.774
  159   1HE   LYS  18           HE1      LYS  18 -12.869   5.431   1.458
  160   2HE   LYS  18           HE2      LYS  18 -12.273   6.326   0.067
  161   1HZ   LYS  18           HZ1      LYS  18 -10.956   4.345   1.679
  162   2HZ   LYS  18           HZ2      LYS  18 -10.298   5.566   0.698
  163   3HZ   LYS  18           HZ3      LYS  18 -10.777   4.089   0.010
  164    H    LYS  19           HN       LYS  19 -15.853   4.201  -2.948
  165    HA   LYS  19           HA       LYS  19 -16.700   4.245  -0.226
  166   1HB   LYS  19           HB1      LYS  19 -18.287   4.939  -2.741
  167   2HB   LYS  19           HB2      LYS  19 -17.194   6.046  -1.917
  168   1HG   LYS  19           HG1      LYS  19 -18.616   5.547   0.198
  169   2HG   LYS  19           HG2      LYS  19 -19.808   4.903  -0.924
  170   1HD   LYS  19           HD1      LYS  19 -20.505   7.106  -0.893
  171   2HD   LYS  19           HD2      LYS  19 -19.308   7.219  -2.180
  172   1HE   LYS  19           HE1      LYS  19 -18.935   9.014  -0.552
  173   2HE   LYS  19           HE2      LYS  19 -17.595   7.877  -0.494
  174   1HZ   LYS  19           HZ1      LYS  19 -18.374   6.947   1.479
  175   2HZ   LYS  19           HZ2      LYS  19 -19.915   7.645   1.319
  176   3HZ   LYS  19           HZ3      LYS  19 -18.576   8.620   1.696
  177    H    HIS  20           HN       HIS  20 -17.797   2.427  -3.044
  178    HA   HIS  20           HA       HIS  20 -20.147   1.321  -1.912
  179   1HB   HIS  20           HB1      HIS  20 -18.192   0.100  -3.898
  180   2HB   HIS  20           HB2      HIS  20 -19.616   1.045  -4.314
  181    HD1  HIS  20           HD1      HIS  20 -21.650  -0.393  -4.566
  182    HD2  HIS  20           HD2      HIS  20 -18.770  -2.348  -2.456
  183    HE1  HIS  20           HE1      HIS  20 -22.541  -2.640  -4.175
  184    H    ILE  21           HN       ILE  21 -16.814   0.036  -1.934
  185    HA   ILE  21           HA       ILE  21 -17.464  -2.332  -0.508
  186    HB   ILE  21           HB       ILE  21 -15.168  -1.461  -1.671
  187   1HG1  ILE  21          HG11      ILE  21 -15.369  -3.367   0.692
  188   2HG1  ILE  21          HG12      ILE  21 -13.971  -3.263  -0.368
  189   1HG2  ILE  21          HG21      ILE  21 -14.908   0.200   0.335
  190   2HG2  ILE  21          HG22      ILE  21 -13.509  -0.767  -0.061
  191   3HG2  ILE  21          HG23      ILE  21 -14.525  -1.205   1.305
  192   1HD1  ILE  21           HD1      ILE  21 -16.162  -3.488  -2.117
  193   2HD1  ILE  21           HD2      ILE  21 -16.515  -4.613  -0.811
  194   3HD1  ILE  21           HD3      ILE  21 -15.012  -4.757  -1.715
  195    NH1  ARG  22           NH1      ARG  22 -17.192   4.924   4.999
  196    NH2  ARG  22           NH2      ARG  22 -15.300   6.204   4.928
  197    H    ARG  22           HN       ARG  22 -16.865   0.943   0.580
  198    HA   ARG  22           HA       ARG  22 -16.627   0.216   3.392
  199   1HB   ARG  22           HB1      ARG  22 -17.118   2.733   3.686
  200   2HB   ARG  22           HB2      ARG  22 -17.256   2.828   1.935
  201   1HG   ARG  22           HG1      ARG  22 -14.971   2.206   1.620
  202   2HG   ARG  22           HG2      ARG  22 -14.810   1.651   3.279
  203   1HD   ARG  22           HD1      ARG  22 -15.303   4.530   2.448
  204   2HD   ARG  22           HD2      ARG  22 -13.753   3.872   2.969
  205    HE   ARG  22           HE       ARG  22 -14.937   3.360   5.178
  206   1HH1  ARG  22          HH11      ARG  22 -17.624   4.027   4.898
  207   2HH1  ARG  22          HH12      ARG  22 -17.746   5.720   5.246
  208   1HH2  ARG  22          HH21      ARG  22 -14.315   6.266   4.774
  209   2HH2  ARG  22          HH22      ARG  22 -15.821   7.021   5.173
  210    H    THR  23           HN       THR  23 -19.278   0.617   1.226
  211    HA   THR  23           HA       THR  23 -21.239   1.327   3.212
  212    HB   THR  23           HB       THR  23 -21.639  -0.216   0.571
  213    HG1  THR  23           HG1      THR  23 -21.834   1.863  -0.235
  214   1HG2  THR  23          HG21      THR  23 -23.454   1.165   2.576
  215   2HG2  THR  23          HG22      THR  23 -23.825  -0.192   1.520
  216   3HG2  THR  23          HG23      THR  23 -23.796   1.444   0.872
  217    H    HIS  24           HN       HIS  24 -19.640  -1.642   2.475
  218    HA   HIS  24           HA       HIS  24 -21.738  -3.347   3.609
  219   1HB   HIS  24           HB1      HIS  24 -19.734  -5.038   3.628
  220   2HB   HIS  24           HB2      HIS  24 -18.827  -3.771   2.807
  221    HD1  HIS  24           HD1      HIS  24 -22.030  -5.650   2.279
  222    HD2  HIS  24           HD2      HIS  24 -19.194  -3.702   0.094
  223    HE1  HIS  24           HE1      HIS  24 -22.631  -6.033  -0.082
  224    H    THR  25           HN       THR  25 -20.236  -1.052   5.087
  225    HA   THR  25           HA       THR  25 -19.253  -2.604   7.417
  226    HB   THR  25           HB       THR  25 -18.500  -0.261   8.152
  227    HG1  THR  25           HG1      THR  25 -18.790   1.131   6.118
  228   1HG2  THR  25          HG21      THR  25 -16.994   0.193   6.123
  229   2HG2  THR  25          HG22      THR  25 -17.849  -1.094   5.280
  230   3HG2  THR  25          HG23      THR  25 -16.881  -1.465   6.703
  231    H    ASP  26           HN       ASP  26 -20.337   0.487   8.105
  232    HA   ASP  26           HA       ASP  26 -23.062  -0.290   8.843
  233   1HB   ASP  26           HB1      ASP  26 -22.545   0.483  11.281
  234   2HB   ASP  26           HB2      ASP  26 -20.846   0.274  10.865
  235    H    VAL  27           HN       VAL  27 -21.710   1.582   7.149
  236    HA   VAL  27           HA       VAL  27 -22.294   4.187   8.448
  237    HB   VAL  27           HB       VAL  27 -20.138   3.940   7.273
  238   1HG1  VAL  27          HG11      VAL  27 -21.779   3.366   4.787
  239   2HG1  VAL  27          HG12      VAL  27 -20.904   2.156   5.703
  240   3HG1  VAL  27          HG13      VAL  27 -20.025   3.437   4.887
  241   1HG2  VAL  27          HG21      VAL  27 -21.993   5.987   6.838
  242   2HG2  VAL  27          HG22      VAL  27 -21.382   5.618   5.229
  243   3HG2  VAL  27          HG23      VAL  27 -20.265   6.071   6.510
  244    NH1  ARG  28           NH1      ARG  28 -25.843  -2.670   4.363
  245    NH2  ARG  28           NH2      ARG  28 -24.425  -2.921   6.136
  246    H    ARG  28           HN       ARG  28 -24.537   2.725   7.978
  247    HA   ARG  28           HA       ARG  28 -25.794   4.026   5.597
  248   1HB   ARG  28           HB1      ARG  28 -27.506   2.112   5.958
  249   2HB   ARG  28           HB2      ARG  28 -26.333   1.427   7.074
  250   1HG   ARG  28           HG1      ARG  28 -24.629   1.522   5.217
  251   2HG   ARG  28           HG2      ARG  28 -25.922   1.992   4.125
  252   1HD   ARG  28           HD1      ARG  28 -26.234  -0.243   3.822
  253   2HD   ARG  28           HD2      ARG  28 -26.998  -0.209   5.410
  254    HE   ARG  28           HE       ARG  28 -24.219  -0.468   5.847
  255   1HH1  ARG  28          HH11      ARG  28 -26.338  -2.063   3.741
  256   2HH1  ARG  28          HH12      ARG  28 -25.926  -3.661   4.263
  257   1HH2  ARG  28          HH21      ARG  28 -23.857  -2.501   6.844
  258   2HH2  ARG  28          HH22      ARG  28 -24.483  -3.917   6.067
  259    HA   PRO  29           HA       PRO  29 -27.691   5.952   9.376
  260   1HB   PRO  29           HB1      PRO  29 -27.136   8.160   9.098
  261   2HB   PRO  29           HB2      PRO  29 -28.271   8.292   7.754
  262   1HG   PRO  29           HG1      PRO  29 -25.366   8.157   7.639
  263   2HG   PRO  29           HG2      PRO  29 -26.496   8.394   6.305
  264   1HD   PRO  29           HD1      PRO  29 -26.225   6.239   5.632
  265   2HD   PRO  29           HD2      PRO  29 -24.979   6.041   6.874
  266    OH   TYR  30           OH       TYR  30 -29.906  10.690   2.828
  267    H    TYR  30           HN       TYR  30 -28.829   5.469   6.126
  268    HA   TYR  30           HA       TYR  30 -31.581   6.266   6.762
  269   1HB   TYR  30           HB1      TYR  30 -32.043   5.195   4.482
  270   2HB   TYR  30           HB2      TYR  30 -30.341   4.778   4.397
  271    HD1  TYR  30           HD1      TYR  30 -32.557   7.731   4.998
  272    HD2  TYR  30           HD2      TYR  30 -28.852   6.331   3.442
  273    HE1  TYR  30           HE1      TYR  30 -32.067   9.975   4.140
  274    HE2  TYR  30           HE2      TYR  30 -28.361   8.577   2.593
  275    HH   TYR  30           HH       TYR  30 -30.238  10.742   1.929
  276    H    HIS  31           HN       HIS  31 -32.209   4.983   8.509
  277    HA   HIS  31           HA       HIS  31 -32.219   2.024   8.080
  278   1HB   HIS  31           HB1      HIS  31 -32.646   1.885  10.505
  279   2HB   HIS  31           HB2      HIS  31 -32.892   3.626  10.597
  280    HD1  HIS  31           HD1      HIS  31 -30.192   1.188  10.070
  281    HD2  HIS  31           HD2      HIS  31 -30.578   5.164  10.765
  282    HE1  HIS  31           HE1      HIS  31 -27.935   1.964  10.506
  283    H    CYS  32           HN       CYS  32 -34.107   0.861   7.965
  284    HA   CYS  32           HA       CYS  32 -36.506   2.240   7.218
  285   1HB   CYS  32           HB1      CYS  32 -35.826  -0.612   7.990
  286   2HB   CYS  32           HB2      CYS  32 -36.279   0.004   6.422
  287    H    THR  33           HN       THR  33 -38.510   2.360   8.353
  288    HA   THR  33           HA       THR  33 -38.113   2.854  11.216
  289    HB   THR  33           HB       THR  33 -40.778   2.980   9.705
  290    HG1  THR  33           HG1      THR  33 -39.620   4.274   8.479
  291   1HG2  THR  33          HG21      THR  33 -39.806   5.119  11.557
  292   2HG2  THR  33          HG22      THR  33 -40.109   3.576  12.348
  293   3HG2  THR  33          HG23      THR  33 -41.405   4.388  11.474
  294    OH   TYR  34           OH       TYR  34 -44.716   2.082   9.471
  295    H    TYR  34           HN       TYR  34 -38.255   0.082   9.824
  296    HA   TYR  34           HA       TYR  34 -39.888  -1.134  11.988
  297   1HB   TYR  34           HB1      TYR  34 -40.961  -2.678  10.357
  298   2HB   TYR  34           HB2      TYR  34 -40.091  -1.910   9.034
  299    HD1  TYR  34           HD2      TYR  34 -40.628   0.455   8.410
  300    HD2  TYR  34           HD1      TYR  34 -42.920  -1.641  11.316
  301    HE1  TYR  34           HE2      TYR  34 -42.432   2.097   8.171
  302    HE2  TYR  34           HE1      TYR  34 -44.725   0.002  11.071
  303    HH   TYR  34           HH       TYR  34 -44.320   2.954   9.408
  304    H    CYS  35           HN       CYS  35 -38.055  -2.104   9.103
  305    HA   CYS  35           HA       CYS  35 -36.944  -4.429  10.430
  306   1HB   CYS  35           HB1      CYS  35 -35.727  -4.746   8.365
  307   2HB   CYS  35           HB2      CYS  35 -35.888  -3.068   7.934
  308    H    ASN  36           HN       ASN  36 -34.541  -4.778  10.379
  309    HA   ASN  36           HA       ASN  36 -33.251  -2.445  11.692
  310   1HB   ASN  36           HB1      ASN  36 -32.137  -5.276  11.495
  311   2HB   ASN  36           HB2      ASN  36 -33.354  -4.866  12.700
  312   1HD2  ASN  36          HD21      ASN  36 -31.954  -5.006  14.539
  313   2HD2  ASN  36          HD22      ASN  36 -30.660  -3.938  14.791
  314    H    PHE  37           HN       PHE  37 -33.620  -3.316   8.698
  315    HA   PHE  37           HA       PHE  37 -30.821  -3.430   7.814
  316   1HB   PHE  37           HB1      PHE  37 -33.138  -2.902   5.951
  317   2HB   PHE  37           HB2      PHE  37 -33.041  -4.480   6.730
  318    HD1  PHE  37           HD2      PHE  37 -30.883  -5.820   6.477
  319    HD2  PHE  37           HD1      PHE  37 -31.702  -2.363   4.137
  320    HE1  PHE  37           HE2      PHE  37 -29.181  -6.516   4.848
  321    HE2  PHE  37           HE1      PHE  37 -29.997  -3.058   2.512
  322    HZ   PHE  37           HZ       PHE  37 -28.736  -5.135   2.867
  323    H    SER  38           HN       SER  38 -29.934  -1.846   6.340
  324    HA   SER  38           HA       SER  38 -31.275   0.780   6.343
  325   1HB   SER  38           HB1      SER  38 -28.411   0.459   7.344
  326   2HB   SER  38           HB2      SER  38 -29.799   0.577   8.433
  327    HG   SER  38           HG1      SER  38 -29.481   2.391   6.309
  328    H    PHE  39           HN       PHE  39 -30.063   2.367   5.015
  329    HA   PHE  39           HA       PHE  39 -28.412   1.035   2.916
  330   1HB   PHE  39           HB1      PHE  39 -29.762   2.041   1.208
  331   2HB   PHE  39           HB2      PHE  39 -30.506   3.157   2.351
  332    HD1  PHE  39           HD2      PHE  39 -32.037   2.224   4.138
  333    HD2  PHE  39           HD1      PHE  39 -30.697  -0.158   0.881
  334    HE1  PHE  39           HE2      PHE  39 -33.847   0.627   4.568
  335    HE2  PHE  39           HE1      PHE  39 -32.513  -1.759   1.312
  336    HZ   PHE  39           HZ       PHE  39 -34.087  -1.367   3.159
  337    H    LYS  40           HN       LYS  40 -27.162   2.560   1.626
  338    HA   LYS  40           HA       LYS  40 -26.084   4.702   3.334
  339   1HB   LYS  40           HB1      LYS  40 -25.262   3.481   0.656
  340   2HB   LYS  40           HB2      LYS  40 -24.506   3.212   2.210
  341   1HG   LYS  40           HG1      LYS  40 -24.511   5.831   0.666
  342   2HG   LYS  40           HG2      LYS  40 -23.138   4.764   0.902
  343   1HD   LYS  40           HD1      LYS  40 -23.779   5.095   3.469
  344   2HD   LYS  40           HD2      LYS  40 -24.450   6.598   2.858
  345   1HE   LYS  40           HE1      LYS  40 -22.150   7.024   3.472
  346   2HE   LYS  40           HE2      LYS  40 -22.243   7.030   1.715
  347   1HZ   LYS  40           HZ1      LYS  40 -21.464   4.751   1.696
  348   2HZ   LYS  40           HZ2      LYS  40 -21.377   4.742   3.392
  349   3HZ   LYS  40           HZ3      LYS  40 -20.356   5.760   2.493
  350    H    THR  41           HN       THR  41 -28.317   4.383   0.792
  351    HA   THR  41           HA       THR  41 -28.203   7.340   0.338
  352    HB   THR  41           HB       THR  41 -28.586   7.000  -2.031
  353    HG1  THR  41           HG1      THR  41 -29.795   4.828  -0.953
  354   1HG2  THR  41          HG21      THR  41 -26.285   6.016  -1.136
  355   2HG2  THR  41          HG22      THR  41 -26.816   5.477  -2.725
  356   3HG2  THR  41          HG23      THR  41 -27.054   4.444  -1.319
  357    H    LYS  42           HN       LYS  42 -30.176   8.336  -0.209
  358    HA   LYS  42           HA       LYS  42 -32.400   7.288   1.286
  359   1HB   LYS  42           HB1      LYS  42 -32.074   9.688  -0.567
  360   2HB   LYS  42           HB2      LYS  42 -32.052   9.705   1.192
  361   1HG   LYS  42           HG1      LYS  42 -34.441   8.724   1.050
  362   2HG   LYS  42           HG2      LYS  42 -34.403   9.205  -0.644
  363   1HD   LYS  42           HD1      LYS  42 -33.659  11.528   0.238
  364   2HD   LYS  42           HD2      LYS  42 -34.220  10.963   1.807
  365   1HE   LYS  42           HE1      LYS  42 -36.444  10.462   0.809
  366   2HE   LYS  42           HE2      LYS  42 -35.877  11.080  -0.737
  367   1HZ   LYS  42           HZ1      LYS  42 -36.062  13.187  -0.063
  368   2HZ   LYS  42           HZ2      LYS  42 -35.499  12.863   1.506
  369   3HZ   LYS  42           HZ3      LYS  42 -37.120  12.553   1.105
  370    H    GLY  43           HN       GLY  43 -31.349   7.080  -1.969
  371   1HA   GLY  43           HA1      GLY  43 -32.310   6.024  -3.835
  372   2HA   GLY  43           HA2      GLY  43 -33.830   6.756  -3.323
  373    H    ASN  44           HN       ASN  44 -31.651   4.160  -2.227
  374    HA   ASN  44           HA       ASN  44 -33.398   2.021  -2.615
  375   1HB   ASN  44           HB1      ASN  44 -32.085   1.004  -0.601
  376   2HB   ASN  44           HB2      ASN  44 -31.229   2.538  -0.547
  377   1HD2  ASN  44          HD21      ASN  44 -29.218   2.084  -1.463
  378   2HD2  ASN  44          HD22      ASN  44 -28.993   1.327  -2.966
  379    H    LEU  45           HN       LEU  45 -33.269   4.308   0.050
  380    HA   LEU  45           HA       LEU  45 -34.965   2.938   1.862
  381   1HB   LEU  45           HB1      LEU  45 -35.048   5.948   1.409
  382   2HB   LEU  45           HB2      LEU  45 -33.614   5.197   2.089
  383    HG   LEU  45           HG       LEU  45 -35.138   6.046   3.861
  384   1HD1  LEU  45          HD11      LEU  45 -37.234   5.560   2.424
  385   2HD1  LEU  45          HD12      LEU  45 -37.356   5.278   4.155
  386   3HD1  LEU  45          HD13      LEU  45 -37.142   3.924   3.057
  387   1HD2  LEU  45          HD21      LEU  45 -34.726   4.274   5.268
  388   2HD2  LEU  45          HD22      LEU  45 -33.772   3.734   3.899
  389   3HD2  LEU  45          HD23      LEU  45 -35.377   3.079   4.156
  390    H    THR  46           HN       THR  46 -35.830   5.498  -0.455
  391    HA   THR  46           HA       THR  46 -38.617   5.344  -0.144
  392    HB   THR  46           HB       THR  46 -36.976   5.899  -2.692
  393    HG1  THR  46           HG1      THR  46 -37.764   8.071  -1.779
  394   1HG2  THR  46          HG21      THR  46 -39.339   7.482  -2.541
  395   2HG2  THR  46          HG22      THR  46 -39.881   5.856  -2.135
  396   3HG2  THR  46          HG23      THR  46 -39.074   6.157  -3.670
  397    H    LYS  47           HN       LYS  47 -36.436   3.313  -1.997
  398    HA   LYS  47           HA       LYS  47 -38.536   1.924  -3.429
  399   1HB   LYS  47           HB1      LYS  47 -35.647   1.179  -2.775
  400   2HB   LYS  47           HB2      LYS  47 -36.230   1.896  -4.272
  401   1HG   LYS  47           HG1      LYS  47 -37.778  -0.204  -4.396
  402   2HG   LYS  47           HG2      LYS  47 -36.659  -0.901  -3.230
  403   1HD   LYS  47           HD1      LYS  47 -34.786  -0.184  -4.846
  404   2HD   LYS  47           HD2      LYS  47 -36.061   0.078  -6.030
  405   1HE   LYS  47           HE1      LYS  47 -36.817  -2.269  -5.713
  406   2HE   LYS  47           HE2      LYS  47 -35.506  -2.525  -4.568
  407   1HZ   LYS  47           HZ1      LYS  47 -34.420  -3.206  -6.379
  408   2HZ   LYS  47           HZ2      LYS  47 -34.180  -1.549  -6.664
  409   3HZ   LYS  47           HZ3      LYS  47 -35.438  -2.373  -7.453
  410    H    HIS  48           HN       HIS  48 -36.753   1.259  -0.432
  411    HA   HIS  48           HA       HIS  48 -38.028  -1.321  -0.052
  412   1HB   HIS  48           HB1      HIS  48 -36.541   0.539   1.870
  413   2HB   HIS  48           HB2      HIS  48 -35.874  -0.863   1.039
  414    HD1  HIS  48           HD1      HIS  48 -37.115  -3.150   1.776
  415    HD2  HIS  48           HD2      HIS  48 -37.666  -0.016   4.341
  416    HE1  HIS  48           HE1      HIS  48 -37.916  -4.149   3.862
  417    H    MET  49           HN       MET  49 -39.035   1.895   0.425
  418    HA   MET  49           HA       MET  49 -41.063   1.085   2.447
  419   1HB   MET  49           HB1      MET  49 -41.558   3.660   2.279
  420   2HB   MET  49           HB2      MET  49 -40.053   3.743   1.371
  421   1HG   MET  49           HG1      MET  49 -39.417   4.132   3.604
  422   2HG   MET  49           HG2      MET  49 -38.975   2.476   3.286
  423   1HE   MET  49           HE1      MET  49 -38.474   1.941   5.504
  424   2HE   MET  49           HE2      MET  49 -39.538   1.968   6.908
  425   3HE   MET  49           HE3      MET  49 -38.903   3.478   6.255
  426    H    LYS  50           HN       LYS  50 -40.796   2.395  -0.828
  427    HA   LYS  50           HA       LYS  50 -43.532   2.883  -1.322
  428   1HB   LYS  50           HB1      LYS  50 -41.630   1.643  -3.356
  429   2HB   LYS  50           HB2      LYS  50 -41.482   3.323  -2.853
  430   1HG   LYS  50           HG1      LYS  50 -43.587   3.906  -3.751
  431   2HG   LYS  50           HG2      LYS  50 -44.130   2.233  -3.801
  432   1HD   LYS  50           HD1      LYS  50 -41.688   2.826  -5.380
  433   2HD   LYS  50           HD2      LYS  50 -43.170   3.562  -5.976
  434   1HE   LYS  50           HE1      LYS  50 -42.734   1.259  -6.908
  435   2HE   LYS  50           HE2      LYS  50 -44.276   1.406  -6.077
  436   1HZ   LYS  50           HZ1      LYS  50 -42.922  -0.605  -5.525
  437   2HZ   LYS  50           HZ2      LYS  50 -43.429   0.318  -4.192
  438   3HZ   LYS  50           HZ3      LYS  50 -41.826   0.426  -4.741
  439    H    SER  51           HN       SER  51 -41.692  -0.110  -1.926
  440    HA   SER  51           HA       SER  51 -43.668  -1.724  -2.991
  441   1HB   SER  51           HB1      SER  51 -41.944  -2.763  -0.701
  442   2HB   SER  51           HB2      SER  51 -41.210  -2.324  -2.256
  443    HG   SER  51           HG1      SER  51 -43.354  -3.601  -2.901
  444    H    LYS  52           HN       LYS  52 -44.992  -3.424  -1.927
  445    HA   LYS  52           HA       LYS  52 -46.728  -2.186   0.040
  446   1HB   LYS  52           HB1      LYS  52 -47.818  -3.664  -1.491
  447   2HB   LYS  52           HB2      LYS  52 -47.747  -4.609  -0.008
  448   1HG   LYS  52           HG1      LYS  52 -45.442  -5.434  -0.950
  449   2HG   LYS  52           HG2      LYS  52 -46.067  -4.869  -2.495
  450   1HD   LYS  52           HD1      LYS  52 -48.124  -6.261  -2.108
  451   2HD   LYS  52           HD2      LYS  52 -47.368  -6.903  -0.653
  452   1HE   LYS  52           HE1      LYS  52 -46.054  -7.044  -3.380
  453   2HE   LYS  52           HE2      LYS  52 -47.086  -8.324  -2.756
  454   1HZ   LYS  52           HZ1      LYS  52 -44.404  -7.561  -1.974
  455   2HZ   LYS  52           HZ2      LYS  52 -45.157  -9.082  -1.946
  456   3HZ   LYS  52           HZ3      LYS  52 -45.447  -7.968  -0.698
  457    H    ALA  53           HN       ALA  53 -43.854  -2.900   0.731
  458    HA   ALA  53           HA       ALA  53 -43.730  -5.021   2.574
  459   1HB   ALA  53           HB1      ALA  53 -41.725  -3.751   1.924
  460   2HB   ALA  53           HB2      ALA  53 -41.908  -3.621   3.670
  461   3HB   ALA  53           HB3      ALA  53 -42.380  -2.279   2.634
  462    H    HIS  54           HN       HIS  54 -43.207  -2.109   4.270
  463    HA   HIS  54           HA       HIS  54 -45.827  -2.266   5.634
  464   1HB   HIS  54           HB1      HIS  54 -44.706  -3.685   7.118
  465   2HB   HIS  54           HB2      HIS  54 -44.286  -2.133   7.833
  466    HD1  HIS  54           HD1      HIS  54 -42.746  -5.038   6.445
  467    HD2  HIS  54           HD2      HIS  54 -41.621  -1.129   6.859
  468    HE1  HIS  54           HE1      HIS  54 -40.303  -5.029   6.235
  469    H    SER  55           HN       SER  55 -46.136  -0.185   4.726
  470    HA   SER  55           HA       SER  55 -44.943   1.930   6.403
  471   1HB   SER  55           HB1      SER  55 -44.751   1.878   3.342
  472   2HB   SER  55           HB2      SER  55 -43.394   1.900   4.486
  473    HG   SER  55           HG1      SER  55 -45.425   3.869   4.210
  474    H    LYS  56           HN       LYS  56 -47.100   1.195   3.689
  475    HA   LYS  56           HA       LYS  56 -48.864   3.440   4.546
  476   1HB   LYS  56           HB1      LYS  56 -50.028   2.883   2.324
  477   2HB   LYS  56           HB2      LYS  56 -48.742   1.717   2.029
  478   1HG   LYS  56           HG1      LYS  56 -47.058   3.511   2.200
  479   2HG   LYS  56           HG2      LYS  56 -48.327   4.683   2.537
  480   1HD   LYS  56           HD1      LYS  56 -48.907   3.127   0.136
  481   2HD   LYS  56           HD2      LYS  56 -47.370   3.973   0.006
  482   1HE   LYS  56           HE1      LYS  56 -48.422   6.095   0.533
  483   2HE   LYS  56           HE2      LYS  56 -49.946   5.299   0.907
  484   1HZ   LYS  56           HZ1      LYS  56 -49.901   6.318  -1.307
  485   2HZ   LYS  56           HZ2      LYS  56 -50.173   4.643  -1.368
  486   3HZ   LYS  56           HZ3      LYS  56 -48.644   5.271  -1.757
  487    H    LYS  57           HN       LYS  57 -50.284   0.905   2.751
  488    HA   LYS  57           HA       LYS  57 -51.168  -0.789   4.845
  489   1HB   LYS  57           HB1      LYS  57 -53.633   0.575   4.213
  490   2HB   LYS  57           HB2      LYS  57 -52.466   1.782   4.741
  491   1HG   LYS  57           HG1      LYS  57 -52.027   0.515   6.790
  492   2HG   LYS  57           HG2      LYS  57 -53.087  -0.782   6.246
  493   1HD   LYS  57           HD1      LYS  57 -55.030   0.563   6.458
  494   2HD   LYS  57           HD2      LYS  57 -54.096   2.053   6.506
  495   1HE   LYS  57           HE1      LYS  57 -54.960   1.339   8.760
  496   2HE   LYS  57           HE2      LYS  57 -53.208   1.495   8.698
  497   1HZ   LYS  57           HZ1      LYS  57 -53.898  -1.109   7.938
  498   2HZ   LYS  57           HZ2      LYS  57 -54.716  -0.746   9.381
  499   3HZ   LYS  57                 LYS  57 -53.026  -0.602   9.303
   
  Start of MODEL          57
 Raw file had 499 H/Q atoms
  Start of MODEL   57
    1   1H    LYS   1           HT1      LYS   1 -14.520  -9.388 -11.946
    2   2H    LYS   1           HT2      LYS   1 -12.955  -9.016 -12.493
    3   3H    LYS   1           HT3      LYS   1 -13.937  -7.797 -11.832
    4    HA   LYS   1           HA       LYS   1 -13.399 -10.118 -10.159
    5   1HB   LYS   1           HB1      LYS   1 -11.361  -7.978  -9.924
    6   2HB   LYS   1           HB2      LYS   1 -11.248  -8.855 -11.442
    7   1HG   LYS   1           HG1      LYS   1  -9.859  -9.999  -9.815
    8   2HG   LYS   1           HG2      LYS   1 -11.264 -11.010 -10.121
    9   1HD   LYS   1           HD1      LYS   1 -12.341 -10.222  -8.080
   10   2HD   LYS   1           HD2      LYS   1 -11.065  -9.039  -7.819
   11   1HE   LYS   1           HE1      LYS   1 -10.783 -12.060  -7.764
   12   2HE   LYS   1           HE2      LYS   1 -10.630 -10.963  -6.396
   13   1HZ   LYS   1           HZ1      LYS   1  -8.739 -11.574  -8.501
   14   2HZ   LYS   1           HZ2      LYS   1  -8.467 -11.108  -6.891
   15   3HZ   LYS   1           HZ3      LYS   1  -8.833  -9.935  -8.064
   16    OH   TYR   2           OH       TYR   2  -8.467  -4.286  -8.713
   17    H    TYR   2           HN       TYR   2 -13.848  -6.703 -10.764
   18    HA   TYR   2           HA       TYR   2 -14.336  -6.211  -7.880
   19   1HB   TYR   2           HB1      TYR   2 -14.573  -3.833  -8.637
   20   2HB   TYR   2           HB2      TYR   2 -14.382  -4.360 -10.307
   21    HD1  TYR   2           HD2      TYR   2 -12.664  -4.217  -7.018
   22    HD2  TYR   2           HD1      TYR   2 -12.210  -4.792 -11.207
   23    HE1  TYR   2           HE2      TYR   2 -10.228  -4.072  -6.774
   24    HE2  TYR   2           HE1      TYR   2  -9.774  -4.662 -10.961
   25    HH   TYR   2           HH       TYR   2  -8.071  -4.887  -9.348
   26    H    ILE   3           HN       ILE   3 -16.201  -7.898  -8.553
   27    HA   ILE   3           HA       ILE   3 -18.637  -6.234  -9.058
   28    HB   ILE   3           HB       ILE   3 -18.278  -9.205  -9.664
   29   1HG1  ILE   3          HG11      ILE   3 -17.492  -6.801 -11.179
   30   2HG1  ILE   3          HG12      ILE   3 -18.504  -7.915 -12.091
   31   1HG2  ILE   3          HG21      ILE   3 -20.348  -7.127 -10.552
   32   2HG2  ILE   3          HG22      ILE   3 -20.623  -8.355  -9.321
   33   3HG2  ILE   3          HG23      ILE   3 -20.360  -8.831 -10.994
   34   1HD1  ILE   3           HD1      ILE   3 -16.988  -9.768 -11.583
   35   2HD1  ILE   3           HD2      ILE   3 -16.015  -8.725 -10.552
   36   3HD1  ILE   3           HD3      ILE   3 -16.064  -8.448 -12.290
   37    H    CYS   4           HN       CYS   4 -19.747  -6.015  -7.198
   38    HA   CYS   4           HA       CYS   4 -19.295  -7.613  -4.908
   39   1HB   CYS   4           HB1      CYS   4 -21.727  -5.997  -5.720
   40   2HB   CYS   4           HB2      CYS   4 -20.413  -5.457  -4.714
   41    H    GLU   5           HN       GLU   5 -19.623  -9.686  -4.739
   42    HA   GLU   5           HA       GLU   5 -21.248 -11.253  -6.429
   43   1HB   GLU   5           HB1      GLU   5 -21.077 -12.912  -4.386
   44   2HB   GLU   5           HB2      GLU   5 -20.054 -11.669  -3.671
   45   1HG   GLU   5           HG1      GLU   5 -18.582 -13.173  -4.847
   46   2HG   GLU   5           HG2      GLU   5 -18.693 -11.717  -5.831
   47    H    GLU   6           HN       GLU   6 -22.125  -9.308  -3.732
   48    HA   GLU   6           HA       GLU   6 -24.612 -10.761  -3.266
   49   1HB   GLU   6           HB1      GLU   6 -23.936  -8.019  -2.162
   50   2HB   GLU   6           HB2      GLU   6 -23.170  -9.460  -1.506
   51   1HG   GLU   6           HG1      GLU   6 -25.363 -10.426  -0.980
   52   2HG   GLU   6           HG2      GLU   6 -26.172  -9.049  -1.722
   53    H    CYS   7           HN       CYS   7 -23.998  -7.308  -3.923
   54    HA   CYS   7           HA       CYS   7 -26.670  -7.015  -5.047
   55   1HB   CYS   7           HB1      CYS   7 -26.061  -4.723  -5.404
   56   2HB   CYS   7           HB2      CYS   7 -24.363  -5.092  -5.419
   57    H    GLY   8           HN       GLY   8 -23.387  -6.835  -6.365
   58   1HA   GLY   8           HA1      GLY   8 -24.503  -7.597  -9.030
   59   2HA   GLY   8           HA2      GLY   8 -22.868  -7.970  -8.494
   60    H    ILE   9           HN       ILE   9 -22.985  -5.117  -7.258
   61    HA   ILE   9           HA       ILE   9 -23.141  -3.249  -9.369
   62    HB   ILE   9           HB       ILE   9 -22.949  -2.835  -6.818
   63   1HG1  ILE   9          HG11      ILE   9 -22.902  -1.055  -8.593
   64   2HG1  ILE   9          HG12      ILE   9 -21.148  -1.174  -8.623
   65   1HG2  ILE   9          HG21      ILE   9 -19.957  -2.767  -7.439
   66   2HG2  ILE   9          HG22      ILE   9 -20.713  -4.221  -6.811
   67   3HG2  ILE   9          HG23      ILE   9 -20.739  -2.745  -5.868
   68   1HD1  ILE   9           HD1      ILE   9 -22.725  -0.616  -6.093
   69   2HD1  ILE   9           HD2      ILE   9 -22.077   0.658  -7.121
   70   3HD1  ILE   9           HD3      ILE   9 -20.985  -0.466  -6.320
   71    NH1  ARG  10           NH2      ARG  10 -20.176  -4.135 -16.947
   72    NH2  ARG  10           NH1      ARG  10 -19.532  -6.310 -17.223
   73    H    ARG  10           HN       ARG  10 -21.810  -2.744 -10.997
   74    HA   ARG  10           HA       ARG  10 -19.229  -4.229 -11.160
   75   1HB   ARG  10           HB1      ARG  10 -20.665  -2.674 -13.356
   76   2HB   ARG  10           HB2      ARG  10 -21.002  -4.368 -13.016
   77   1HG   ARG  10           HG1      ARG  10 -18.136  -3.873 -13.208
   78   2HG   ARG  10           HG2      ARG  10 -18.970  -3.378 -14.677
   79   1HD   ARG  10           HD1      ARG  10 -19.423  -6.069 -13.349
   80   2HD   ARG  10           HD2      ARG  10 -18.244  -5.816 -14.636
   81    HE   ARG  10           HE       ARG  10 -21.163  -5.830 -14.955
   82   1HH1  ARG  10          HH21      ARG  10 -20.525  -3.415 -16.347
   83   2HH1  ARG  10          HH22      ARG  10 -19.975  -3.934 -17.905
   84   1HH2  ARG  10          HH11      ARG  10 -19.398  -7.221 -16.830
   85   2HH2  ARG  10          HH12      ARG  10 -19.319  -6.145 -18.185
   86    H    ABA  11           HN       ABU  11 -17.480  -3.131 -10.581
   87    HA   ABA  11           HA       ABU  11 -17.281  -0.259 -11.391
   88   1HB   ABA  11           HB1      ABU  11 -16.250   0.242  -9.227
   89   2HB   ABA  11           HB2      ABU  11 -16.309  -1.440  -8.757
   90   1HG   ABA  11           HG1      ABU  11 -18.804  -1.363  -8.916
   91   2HG   ABA  11           HG2      ABU  11 -18.699   0.355  -9.279
   92   3HG   ABA  11           HG3      ABU  11 -18.176  -0.247  -7.709
   93    H    LYS  12           HN       LYS  12 -15.805  -0.399 -12.950
   94    HA   LYS  12           HA       LYS  12 -13.687  -2.271 -13.084
   95   1HB   LYS  12           HB1      LYS  12 -12.782  -0.732 -14.840
   96   2HB   LYS  12           HB2      LYS  12 -13.920   0.506 -14.323
   97   1HG   LYS  12           HG1      LYS  12 -15.808  -0.989 -14.872
   98   2HG   LYS  12           HG2      LYS  12 -14.677  -2.242 -15.372
   99   1HD   LYS  12           HD1      LYS  12 -14.389   0.465 -16.617
  100   2HD   LYS  12           HD2      LYS  12 -15.737  -0.537 -17.143
  101   1HE   LYS  12           HE1      LYS  12 -14.320  -2.237 -17.949
  102   2HE   LYS  12           HE2      LYS  12 -12.961  -1.700 -16.970
  103   1HZ   LYS  12           HZ1      LYS  12 -14.041   0.106 -19.010
  104   2HZ   LYS  12           HZ2      LYS  12 -13.049  -1.183 -19.496
  105   3HZ   LYS  12           HZ3      LYS  12 -12.459  -0.021 -18.406
  106    H    LYS  13           HN       LYS  13 -13.938  -0.197 -10.650
  107    HA   LYS  13           HA       LYS  13 -10.991   0.079 -10.473
  108   1HB   LYS  13           HB1      LYS  13 -11.546   2.408  -9.358
  109   2HB   LYS  13           HB2      LYS  13 -13.080   2.250 -10.207
  110   1HG   LYS  13           HG1      LYS  13 -11.882   1.980 -12.347
  111   2HG   LYS  13           HG2      LYS  13 -10.339   2.095 -11.508
  112   1HD   LYS  13           HD1      LYS  13 -12.305   4.297 -11.054
  113   2HD   LYS  13           HD2      LYS  13 -11.512   4.241 -12.624
  114   1HE   LYS  13           HE1      LYS  13  -9.324   4.332 -11.609
  115   2HE   LYS  13           HE2      LYS  13  -9.998   4.095 -10.001
  116   1HZ   LYS  13           HZ1      LYS  13 -10.025   6.291  -9.855
  117   2HZ   LYS  13           HZ2      LYS  13 -11.307   6.283 -10.969
  118   3HZ   LYS  13           HZ3      LYS  13  -9.712   6.497 -11.511
  119    HA   PRO  14           HA       PRO  14 -11.517  -1.407  -6.333
  120   1HB   PRO  14           HB1      PRO  14  -9.279  -1.446  -5.770
  121   2HB   PRO  14           HB2      PRO  14  -9.483   0.169  -5.089
  122   1HG   PRO  14           HG1      PRO  14  -7.893  -0.479  -7.332
  123   2HG   PRO  14           HG2      PRO  14  -8.397   1.148  -6.866
  124   1HD   PRO  14           HD1      PRO  14  -9.604   1.215  -8.816
  125   2HD   PRO  14           HD2      PRO  14  -9.347  -0.519  -9.081
  126    H    SER  15           HN       SER  15 -10.370   1.930  -5.860
  127    HA   SER  15           HA       SER  15 -11.630   2.728  -3.606
  128   1HB   SER  15           HB1      SER  15 -10.423   4.408  -4.883
  129   2HB   SER  15           HB2      SER  15 -12.098   4.993  -4.876
  130    HG   SER  15           HG1      SER  15 -10.645   3.717  -6.905
  131    H    MET  16           HN       MET  16 -13.290   2.364  -6.711
  132    HA   MET  16           HA       MET  16 -15.829   3.274  -5.651
  133   1HB   MET  16           HB1      MET  16 -16.649   2.023  -7.812
  134   2HB   MET  16           HB2      MET  16 -14.934   1.810  -8.154
  135   1HG   MET  16           HG1      MET  16 -15.738   3.829  -9.236
  136   2HG   MET  16           HG2      MET  16 -14.590   4.228  -7.988
  137   1HE   MET  16           HE1      MET  16 -18.057   4.147  -9.274
  138   2HE   MET  16           HE2      MET  16 -19.044   5.125  -8.187
  139   3HE   MET  16           HE3      MET  16 -18.561   3.496  -7.713
  140    H    LEU  17           HN       LEU  17 -14.548   0.029  -6.498
  141    HA   LEU  17           HA       LEU  17 -16.843  -1.330  -5.407
  142   1HB   LEU  17           HB1      LEU  17 -14.055  -2.526  -5.573
  143   2HB   LEU  17           HB2      LEU  17 -14.961  -2.207  -7.033
  144    HG   LEU  17           HG       LEU  17 -15.249  -4.563  -6.233
  145   1HD1  LEU  17          HD11      LEU  17 -16.807  -3.451  -3.890
  146   2HD1  LEU  17          HD12      LEU  17 -15.102  -3.857  -3.765
  147   3HD1  LEU  17          HD13      LEU  17 -16.278  -5.099  -4.168
  148   1HD2  LEU  17          HD21      LEU  17 -17.487  -4.693  -6.813
  149   2HD2  LEU  17          HD22      LEU  17 -17.148  -3.059  -7.347
  150   3HD2  LEU  17          HD23      LEU  17 -17.955  -3.325  -5.816
  151    H    LYS  18           HN       LYS  18 -13.486  -1.097  -4.254
  152    HA   LYS  18           HA       LYS  18 -13.608  -2.200  -1.772
  153   1HB   LYS  18           HB1      LYS  18 -12.282   0.333  -2.770
  154   2HB   LYS  18           HB2      LYS  18 -11.533  -1.194  -2.324
  155   1HG   LYS  18           HG1      LYS  18 -12.411  -0.661   0.075
  156   2HG   LYS  18           HG2      LYS  18 -12.577   0.988  -0.520
  157   1HD   LYS  18           HD1      LYS  18 -10.390   1.154   0.142
  158   2HD   LYS  18           HD2      LYS  18 -10.079   0.408  -1.421
  159   1HE   LYS  18           HE1      LYS  18 -10.394  -1.052   1.220
  160   2HE   LYS  18           HE2      LYS  18  -8.887  -0.812   0.348
  161   1HZ   LYS  18           HZ1      LYS  18  -9.979  -2.013  -1.547
  162   2HZ   LYS  18           HZ2      LYS  18 -11.214  -2.444  -0.463
  163   3HZ   LYS  18           HZ3      LYS  18  -9.620  -2.956  -0.182
  164    H    LYS  19           HN       LYS  19 -14.685   1.114  -2.502
  165    HA   LYS  19           HA       LYS  19 -15.589   1.617   0.158
  166   1HB   LYS  19           HB1      LYS  19 -16.674   2.855  -2.414
  167   2HB   LYS  19           HB2      LYS  19 -15.146   3.350  -1.694
  168   1HG   LYS  19           HG1      LYS  19 -17.420   3.259   0.196
  169   2HG   LYS  19           HG2      LYS  19 -17.570   4.471  -1.072
  170   1HD   LYS  19           HD1      LYS  19 -15.375   5.395  -0.494
  171   2HD   LYS  19           HD2      LYS  19 -15.132   4.132   0.707
  172   1HE   LYS  19           HE1      LYS  19 -17.445   6.093   0.780
  173   2HE   LYS  19           HE2      LYS  19 -15.943   6.327   1.666
  174   1HZ   LYS  19           HZ1      LYS  19 -17.242   3.753   2.003
  175   2HZ   LYS  19           HZ2      LYS  19 -18.047   5.088   2.675
  176   3HZ   LYS  19           HZ3      LYS  19 -16.453   4.732   3.143
  177    H    HIS  20           HN       HIS  20 -17.136   0.356  -2.745
  178    HA   HIS  20           HA       HIS  20 -19.806   0.332  -1.739
  179   1HB   HIS  20           HB1      HIS  20 -18.432  -1.493  -3.759
  180   2HB   HIS  20           HB2      HIS  20 -19.330  -0.031  -4.143
  181    HD1  HIS  20           HD1      HIS  20 -21.735  -0.525  -4.590
  182    HD2  HIS  20           HD2      HIS  20 -20.040  -3.543  -2.465
  183    HE1  HIS  20           HE1      HIS  20 -23.479  -2.230  -4.370
  184    H    ILE  21           HN       ILE  21 -17.358  -2.282  -1.837
  185    HA   ILE  21           HA       ILE  21 -18.949  -4.215  -0.552
  186    HB   ILE  21           HB       ILE  21 -16.442  -4.303  -1.553
  187   1HG1  ILE  21          HG11      ILE  21 -17.522  -6.044   0.697
  188   2HG1  ILE  21          HG12      ILE  21 -16.138  -6.473  -0.295
  189   1HG2  ILE  21          HG21      ILE  21 -15.923  -4.410   1.453
  190   2HG2  ILE  21          HG22      ILE  21 -15.684  -2.932   0.546
  191   3HG2  ILE  21          HG23      ILE  21 -14.742  -4.351   0.152
  192   1HD1  ILE  21           HD1      ILE  21 -17.587  -7.372  -1.782
  193   2HD1  ILE  21           HD2      ILE  21 -18.160  -5.745  -2.128
  194   3HD1  ILE  21           HD3      ILE  21 -18.967  -6.720  -0.906
  195    NH1  ARG  22           NH2      ARG  22 -15.843  -0.022   6.412
  196    NH2  ARG  22           NH1      ARG  22 -15.510   2.100   5.634
  197    H    ARG  22           HN       ARG  22 -17.232  -1.479   0.776
  198    HA   ARG  22           HA       ARG  22 -17.464  -2.399   3.527
  199   1HB   ARG  22           HB1      ARG  22 -17.078   0.147   3.960
  200   2HB   ARG  22           HB2      ARG  22 -16.923   0.293   2.214
  201   1HG   ARG  22           HG1      ARG  22 -15.096  -1.339   2.201
  202   2HG   ARG  22           HG2      ARG  22 -15.292  -1.609   3.928
  203   1HD   ARG  22           HD1      ARG  22 -14.896   1.217   3.066
  204   2HD   ARG  22           HD2      ARG  22 -13.499   0.151   2.937
  205    HE   ARG  22           HE       ARG  22 -13.378   0.147   5.291
  206   1HH1  ARG  22          HH21      ARG  22 -15.584  -0.988   6.403
  207   2HH1  ARG  22          HH22      ARG  22 -16.590   0.290   7.000
  208   1HH2  ARG  22          HH11      ARG  22 -15.002   2.725   5.042
  209   2HH2  ARG  22          HH12      ARG  22 -16.251   2.447   6.209
  210    H    THR  23           HN       THR  23 -19.452  -0.415   1.397
  211    HA   THR  23           HA       THR  23 -21.223   0.703   3.238
  212    HB   THR  23           HB       THR  23 -22.268  -0.640   0.691
  213    HG1  THR  23           HG1      THR  23 -21.394   1.489  -0.144
  214   1HG2  THR  23          HG21      THR  23 -22.622   2.262   1.458
  215   2HG2  THR  23          HG22      THR  23 -23.494   1.089   2.443
  216   3HG2  THR  23          HG23      THR  23 -23.789   1.177   0.710
  217    H    HIS  24           HN       HIS  24 -20.808  -2.642   2.405
  218    HA   HIS  24           HA       HIS  24 -23.399  -3.450   3.518
  219   1HB   HIS  24           HB1      HIS  24 -22.223  -5.782   3.445
  220   2HB   HIS  24           HB2      HIS  24 -20.866  -4.948   2.698
  221    HD1  HIS  24           HD1      HIS  24 -24.524  -5.466   2.011
  222    HD2  HIS  24           HD2      HIS  24 -21.105  -4.559  -0.008
  223    HE1  HIS  24           HE1      HIS  24 -25.129  -5.518  -0.389
  224    H    THR  25           HN       THR  25 -21.219  -1.901   5.052
  225    HA   THR  25           HA       THR  25 -20.751  -3.762   7.307
  226    HB   THR  25           HB       THR  25 -19.454  -1.660   8.169
  227    HG1  THR  25           HG1      THR  25 -20.762  -0.822   5.932
  228   1HG2  THR  25          HG21      THR  25 -17.868  -3.031   7.077
  229   2HG2  THR  25          HG22      THR  25 -17.935  -1.725   5.897
  230   3HG2  THR  25          HG23      THR  25 -18.878  -3.191   5.643
  231    H    ASP  26           HN       ASP  26 -20.941  -0.499   8.139
  232    HA   ASP  26           HA       ASP  26 -23.748  -0.696   9.041
  233   1HB   ASP  26           HB1      ASP  26 -22.928   0.129  11.361
  234   2HB   ASP  26           HB2      ASP  26 -21.310  -0.332  10.841
  235    H    VAL  27           HN       VAL  27 -22.097   0.843   7.163
  236    HA   VAL  27           HA       VAL  27 -22.299   3.579   8.292
  237    HB   VAL  27           HB       VAL  27 -20.202   2.970   7.150
  238   1HG1  VAL  27          HG11      VAL  27 -21.947   2.397   4.741
  239   2HG1  VAL  27          HG12      VAL  27 -21.143   1.186   5.723
  240   3HG1  VAL  27          HG13      VAL  27 -20.190   2.319   4.779
  241   1HG2  VAL  27          HG21      VAL  27 -20.025   5.008   6.163
  242   2HG2  VAL  27          HG22      VAL  27 -21.722   5.218   6.581
  243   3HG2  VAL  27          HG23      VAL  27 -21.274   4.631   4.983
  244    NH1  ARG  28           NH1      ARG  28 -26.551  -0.025   1.485
  245    NH2  ARG  28           NH2      ARG  28 -27.717  -1.426   2.863
  246    H    ARG  28           HN       ARG  28 -24.704   2.411   7.908
  247    HA   ARG  28           HA       ARG  28 -25.822   3.842   5.533
  248   1HB   ARG  28           HB1      ARG  28 -27.647   2.004   5.740
  249   2HB   ARG  28           HB2      ARG  28 -26.519   1.173   6.807
  250   1HG   ARG  28           HG1      ARG  28 -24.830   1.672   4.797
  251   2HG   ARG  28           HG2      ARG  28 -26.321   1.671   3.870
  252   1HD   ARG  28           HD1      ARG  28 -26.829  -0.550   5.177
  253   2HD   ARG  28           HD2      ARG  28 -25.088  -0.570   5.455
  254    HE   ARG  28           HE       ARG  28 -24.778  -1.057   3.156
  255   1HH1  ARG  28          HH11      ARG  28 -25.720   0.501   1.305
  256   2HH1  ARG  28          HH12      ARG  28 -27.303  -0.015   0.826
  257   1HH2  ARG  28          HH21      ARG  28 -27.761  -1.950   3.713
  258   2HH2  ARG  28          HH22      ARG  28 -28.489  -1.439   2.228
  259    HA   PRO  29           HA       PRO  29 -27.609   5.625   9.432
  260   1HB   PRO  29           HB1      PRO  29 -27.000   7.827   9.271
  261   2HB   PRO  29           HB2      PRO  29 -28.086   8.061   7.901
  262   1HG   PRO  29           HG1      PRO  29 -25.178   7.754   7.880
  263   2HG   PRO  29           HG2      PRO  29 -26.243   8.181   6.539
  264   1HD   PRO  29           HD1      PRO  29 -26.153   6.064   5.710
  265   2HD   PRO  29           HD2      PRO  29 -24.910   5.692   6.920
  266    OH   TYR  30           OH       TYR  30 -29.290  10.715   3.230
  267    H    TYR  30           HN       TYR  30 -28.839   5.417   6.170
  268    HA   TYR  30           HA       TYR  30 -31.533   6.290   6.921
  269   1HB   TYR  30           HB1      TYR  30 -32.115   5.449   4.605
  270   2HB   TYR  30           HB2      TYR  30 -30.481   4.820   4.451
  271    HD1  TYR  30           HD1      TYR  30 -32.265   7.999   5.293
  272    HD2  TYR  30           HD2      TYR  30 -28.832   6.221   3.519
  273    HE1  TYR  30           HE1      TYR  30 -31.494  10.207   4.568
  274    HE2  TYR  30           HE2      TYR  30 -28.060   8.433   2.799
  275    HH   TYR  30           HH       TYR  30 -29.148  10.685   2.282
  276    H    HIS  31           HN       HIS  31 -31.952   4.876   8.708
  277    HA   HIS  31           HA       HIS  31 -32.193   1.986   8.083
  278   1HB   HIS  31           HB1      HIS  31 -32.403   1.676  10.457
  279   2HB   HIS  31           HB2      HIS  31 -32.917   3.341  10.709
  280    HD1  HIS  31           HD1      HIS  31 -29.867   1.444   9.880
  281    HD2  HIS  31           HD2      HIS  31 -30.879   5.192  11.055
  282    HE1  HIS  31           HE1      HIS  31 -27.756   2.530  10.380
  283    H    CYS  32           HN       CYS  32 -34.113   0.877   7.980
  284    HA   CYS  32           HA       CYS  32 -36.469   2.318   7.244
  285   1HB   CYS  32           HB1      CYS  32 -35.876  -0.548   8.036
  286   2HB   CYS  32           HB2      CYS  32 -36.299   0.071   6.461
  287    H    THR  33           HN       THR  33 -38.480   2.483   8.358
  288    HA   THR  33           HA       THR  33 -38.113   3.036  11.210
  289    HB   THR  33           HB       THR  33 -40.773   3.110   9.693
  290    HG1  THR  33           HG1      THR  33 -39.573   5.429   9.629
  291   1HG2  THR  33          HG21      THR  33 -41.119   5.092  11.164
  292   2HG2  THR  33          HG22      THR  33 -39.473   4.958  11.772
  293   3HG2  THR  33          HG23      THR  33 -40.665   3.729  12.183
  294    OH   TYR  34           OH       TYR  34 -44.818   2.160   9.582
  295    H    TYR  34           HN       TYR  34 -38.303   0.235   9.826
  296    HA   TYR  34           HA       TYR  34 -39.914  -0.949  12.028
  297   1HB   TYR  34           HB1      TYR  34 -40.972  -2.532  10.411
  298   2HB   TYR  34           HB2      TYR  34 -40.131  -1.749   9.080
  299    HD1  TYR  34           HD2      TYR  34 -40.665   0.677   8.563
  300    HD2  TYR  34           HD1      TYR  34 -42.989  -1.610  11.290
  301    HE1  TYR  34           HE2      TYR  34 -42.505   2.284   8.342
  302    HE2  TYR  34           HE1      TYR  34 -44.827  -0.002  11.072
  303    HH   TYR  34           HH       TYR  34 -44.813   2.712  10.367
  304    H    CYS  35           HN       CYS  35 -38.171  -2.022   9.130
  305    HA   CYS  35           HA       CYS  35 -37.047  -4.329  10.442
  306   1HB   CYS  35           HB1      CYS  35 -35.778  -4.595   8.394
  307   2HB   CYS  35           HB2      CYS  35 -35.966  -2.915   7.986
  308    H    ASN  36           HN       ASN  36 -34.600  -4.651  10.211
  309    HA   ASN  36           HA       ASN  36 -33.300  -2.406  11.671
  310   1HB   ASN  36           HB1      ASN  36 -32.364  -5.302  11.338
  311   2HB   ASN  36           HB2      ASN  36 -33.366  -4.763  12.684
  312   1HD2  ASN  36          HD21      ASN  36 -32.405  -2.909  14.019
  313   2HD2  ASN  36          HD22      ASN  36 -30.718  -2.860  14.206
  314    H    PHE  37           HN       PHE  37 -33.705  -3.296   8.642
  315    HA   PHE  37           HA       PHE  37 -30.932  -3.328   7.708
  316   1HB   PHE  37           HB1      PHE  37 -33.286  -2.782   5.896
  317   2HB   PHE  37           HB2      PHE  37 -33.156  -4.378   6.637
  318    HD1  PHE  37           HD2      PHE  37 -30.965  -5.673   6.326
  319    HD2  PHE  37           HD1      PHE  37 -31.906  -2.197   4.059
  320    HE1  PHE  37           HE2      PHE  37 -29.262  -6.292   4.666
  321    HE2  PHE  37           HE1      PHE  37 -30.206  -2.819   2.399
  322    HZ   PHE  37           HZ       PHE  37 -28.883  -4.866   2.703
  323    H    SER  38           HN       SER  38 -30.266  -1.752   6.012
  324    HA   SER  38           HA       SER  38 -31.538   0.871   6.156
  325   1HB   SER  38           HB1      SER  38 -28.687   0.502   7.195
  326   2HB   SER  38           HB2      SER  38 -30.097   0.754   8.237
  327    HG   SER  38           HG1      SER  38 -29.975   2.460   6.108
  328    H    PHE  39           HN       PHE  39 -30.246   2.502   4.897
  329    HA   PHE  39           HA       PHE  39 -28.668   1.186   2.740
  330   1HB   PHE  39           HB1      PHE  39 -30.001   2.303   1.078
  331   2HB   PHE  39           HB2      PHE  39 -30.710   3.390   2.274
  332    HD1  PHE  39           HD2      PHE  39 -32.283   2.453   4.008
  333    HD2  PHE  39           HD1      PHE  39 -30.936   0.101   0.723
  334    HE1  PHE  39           HE2      PHE  39 -34.018   0.785   4.491
  335    HE2  PHE  39           HE1      PHE  39 -32.694  -1.551   1.195
  336    HZ   PHE  39           HZ       PHE  39 -34.227  -1.215   3.086
  337    H    LYS  40           HN       LYS  40 -27.380   2.706   1.493
  338    HA   LYS  40           HA       LYS  40 -26.162   4.694   3.278
  339   1HB   LYS  40           HB1      LYS  40 -25.480   3.646   0.490
  340   2HB   LYS  40           HB2      LYS  40 -24.719   3.175   1.994
  341   1HG   LYS  40           HG1      LYS  40 -24.571   5.919   0.698
  342   2HG   LYS  40           HG2      LYS  40 -23.269   4.750   0.818
  343   1HD   LYS  40           HD1      LYS  40 -23.848   4.891   3.413
  344   2HD   LYS  40           HD2      LYS  40 -24.455   6.476   2.949
  345   1HE   LYS  40           HE1      LYS  40 -22.151   6.641   1.663
  346   2HE   LYS  40           HE2      LYS  40 -21.655   5.397   2.802
  347   1HZ   LYS  40           HZ1      LYS  40 -21.337   6.980   4.282
  348   2HZ   LYS  40           HZ2      LYS  40 -22.999   7.331   4.260
  349   3HZ   LYS  40           HZ3      LYS  40 -21.942   8.164   3.225
  350    H    THR  41           HN       THR  41 -28.481   4.672   0.791
  351    HA   THR  41           HA       THR  41 -28.233   7.647   0.569
  352    HB   THR  41           HB       THR  41 -28.616   7.525  -1.827
  353    HG1  THR  41           HG1      THR  41 -29.061   5.148  -2.465
  354   1HG2  THR  41          HG21      THR  41 -27.151   4.885  -1.311
  355   2HG2  THR  41          HG22      THR  41 -26.346   6.423  -1.018
  356   3HG2  THR  41          HG23      THR  41 -26.888   6.009  -2.641
  357    H    LYS  42           HN       LYS  42 -30.187   8.748   0.047
  358    HA   LYS  42           HA       LYS  42 -32.446   7.678   1.473
  359   1HB   LYS  42           HB1      LYS  42 -32.211  10.135  -0.325
  360   2HB   LYS  42           HB2      LYS  42 -31.905  10.120   1.406
  361   1HG   LYS  42           HG1      LYS  42 -34.400   8.964   1.267
  362   2HG   LYS  42           HG2      LYS  42 -34.473  10.136  -0.043
  363   1HD   LYS  42           HD1      LYS  42 -33.516  11.838   1.629
  364   2HD   LYS  42           HD2      LYS  42 -33.873  10.652   2.879
  365   1HE   LYS  42           HE1      LYS  42 -35.919  11.674   2.913
  366   2HE   LYS  42           HE2      LYS  42 -36.234  10.659   1.512
  367   1HZ   LYS  42           HZ1      LYS  42 -36.453  12.460   0.286
  368   2HZ   LYS  42           HZ2      LYS  42 -34.871  12.953   0.663
  369   3HZ   LYS  42           HZ3      LYS  42 -36.170  13.441   1.644
  370    H    GLY  43           HN       GLY  43 -31.357   7.479  -1.739
  371   1HA   GLY  43           HA1      GLY  43 -32.393   6.714  -3.714
  372   2HA   GLY  43           HA2      GLY  43 -33.934   7.243  -3.041
  373    H    ASN  44           HN       ASN  44 -31.472   4.729  -2.495
  374    HA   ASN  44           HA       ASN  44 -33.045   2.503  -2.984
  375   1HB   ASN  44           HB1      ASN  44 -31.549   1.426  -1.102
  376   2HB   ASN  44           HB2      ASN  44 -30.794   3.014  -1.009
  377   1HD2  ASN  44          HD21      ASN  44 -28.937   3.071  -2.252
  378   2HD2  ASN  44          HD22      ASN  44 -28.733   2.298  -3.750
  379    H    LEU  45           HN       LEU  45 -32.970   4.510  -0.106
  380    HA   LEU  45           HA       LEU  45 -34.440   2.821   1.630
  381   1HB   LEU  45           HB1      LEU  45 -34.372   5.878   1.363
  382   2HB   LEU  45           HB2      LEU  45 -33.353   4.908   2.404
  383    HG   LEU  45           HG       LEU  45 -35.020   5.788   3.855
  384   1HD1  LEU  45          HD11      LEU  45 -37.446   4.791   2.479
  385   2HD1  LEU  45          HD12      LEU  45 -36.620   6.079   1.620
  386   3HD1  LEU  45          HD13      LEU  45 -37.156   6.332   3.273
  387   1HD2  LEU  45          HD21      LEU  45 -36.145   3.059   3.156
  388   2HD2  LEU  45          HD22      LEU  45 -36.080   3.838   4.731
  389   3HD2  LEU  45          HD23      LEU  45 -34.600   3.271   3.968
  390    H    THR  46           HN       THR  46 -35.567   5.327  -0.625
  391    HA   THR  46           HA       THR  46 -38.340   5.051  -0.128
  392    HB   THR  46           HB       THR  46 -36.742   5.853  -2.622
  393    HG1  THR  46           HG1      THR  46 -37.470   7.849  -1.884
  394   1HG2  THR  46          HG21      THR  46 -39.006   6.852  -3.342
  395   2HG2  THR  46          HG22      THR  46 -39.770   5.873  -2.093
  396   3HG2  THR  46          HG23      THR  46 -38.962   5.095  -3.451
  397    H    LYS  47           HN       LYS  47 -36.183   3.229  -2.239
  398    HA   LYS  47           HA       LYS  47 -38.170   1.762  -3.644
  399   1HB   LYS  47           HB1      LYS  47 -35.431   0.755  -2.725
  400   2HB   LYS  47           HB2      LYS  47 -35.665   1.779  -4.133
  401   1HG   LYS  47           HG1      LYS  47 -36.947  -0.953  -3.733
  402   2HG   LYS  47           HG2      LYS  47 -35.532  -0.647  -4.731
  403   1HD   LYS  47           HD1      LYS  47 -37.187   1.202  -5.790
  404   2HD   LYS  47           HD2      LYS  47 -38.391   0.044  -5.235
  405   1HE   LYS  47           HE1      LYS  47 -36.214  -0.317  -7.274
  406   2HE   LYS  47           HE2      LYS  47 -37.908  -0.784  -7.366
  407   1HZ   LYS  47           HZ1      LYS  47 -36.829  -2.775  -7.046
  408   2HZ   LYS  47           HZ2      LYS  47 -37.299  -2.372  -5.465
  409   3HZ   LYS  47           HZ3      LYS  47 -35.695  -2.122  -5.963
  410    H    HIS  48           HN       HIS  48 -36.626   1.177  -0.518
  411    HA   HIS  48           HA       HIS  48 -37.903  -1.386  -0.105
  412   1HB   HIS  48           HB1      HIS  48 -36.711   0.639   1.859
  413   2HB   HIS  48           HB2      HIS  48 -35.883  -0.755   1.172
  414    HD1  HIS  48           HD1      HIS  48 -37.508  -3.022   1.720
  415    HD2  HIS  48           HD2      HIS  48 -37.581   0.063   4.401
  416    HE1  HIS  48           HE1      HIS  48 -38.326  -3.997   3.810
  417    H    MET  49           HN       MET  49 -38.824   1.925   0.457
  418    HA   MET  49           HA       MET  49 -41.129   1.134   2.112
  419   1HB   MET  49           HB1      MET  49 -41.607   3.703   1.792
  420   2HB   MET  49           HB2      MET  49 -40.002   3.759   1.073
  421   1HG   MET  49           HG1      MET  49 -39.587   4.214   3.327
  422   2HG   MET  49           HG2      MET  49 -39.207   2.520   3.171
  423   1HE   MET  49           HE1      MET  49 -39.787   0.879   4.830
  424   2HE   MET  49           HE2      MET  49 -40.415   1.458   6.371
  425   3HE   MET  49           HE3      MET  49 -39.039   2.265   5.622
  426    H    LYS  50           HN       LYS  50 -40.393   1.745  -1.197
  427    HA   LYS  50           HA       LYS  50 -42.960   2.533  -2.142
  428   1HB   LYS  50           HB1      LYS  50 -40.899   0.764  -3.549
  429   2HB   LYS  50           HB2      LYS  50 -40.815   2.521  -3.494
  430   1HG   LYS  50           HG1      LYS  50 -43.113   2.582  -4.546
  431   2HG   LYS  50           HG2      LYS  50 -43.000   0.837  -4.757
  432   1HD   LYS  50           HD1      LYS  50 -40.737   1.332  -5.932
  433   2HD   LYS  50           HD2      LYS  50 -41.310   2.994  -6.031
  434   1HE   LYS  50           HE1      LYS  50 -43.472   1.985  -7.040
  435   2HE   LYS  50           HE2      LYS  50 -42.528   0.518  -7.263
  436   1HZ   LYS  50           HZ1      LYS  50 -42.640   2.305  -9.120
  437   2HZ   LYS  50           HZ2      LYS  50 -41.179   1.500  -8.798
  438   3HZ   LYS  50           HZ3      LYS  50 -41.432   3.070  -8.202
  439    H    SER  51           HN       SER  51 -41.514  -0.695  -1.801
  440    HA   SER  51           HA       SER  51 -43.741  -2.153  -2.804
  441   1HB   SER  51           HB1      SER  51 -41.671  -2.926  -0.671
  442   2HB   SER  51           HB2      SER  51 -41.543  -3.239  -2.413
  443    HG   SER  51           HG1      SER  51 -42.650  -4.812  -0.727
  444    H    LYS  52           HN       LYS  52 -45.218  -3.515  -1.521
  445    HA   LYS  52           HA       LYS  52 -46.550  -1.884   0.491
  446   1HB   LYS  52           HB1      LYS  52 -47.309  -4.764   0.105
  447   2HB   LYS  52           HB2      LYS  52 -47.432  -3.734  -1.316
  448   1HG   LYS  52           HG1      LYS  52 -48.813  -2.123   0.014
  449   2HG   LYS  52           HG2      LYS  52 -48.747  -3.235   1.378
  450   1HD   LYS  52           HD1      LYS  52 -50.711  -3.986   0.431
  451   2HD   LYS  52           HD2      LYS  52 -49.589  -4.951  -0.523
  452   1HE   LYS  52           HE1      LYS  52 -51.191  -3.813  -2.005
  453   2HE   LYS  52           HE2      LYS  52 -49.572  -3.176  -2.266
  454   1HZ   LYS  52           HZ1      LYS  52 -50.596  -1.618  -0.278
  455   2HZ   LYS  52           HZ2      LYS  52 -51.911  -1.845  -1.327
  456   3HZ   LYS  52           HZ3      LYS  52 -50.457  -1.194  -1.916
  457    H    ALA  53           HN       ALA  53 -43.838  -3.007   1.056
  458    HA   ALA  53           HA       ALA  53 -43.789  -5.130   2.845
  459   1HB   ALA  53           HB1      ALA  53 -41.735  -3.926   2.311
  460   2HB   ALA  53           HB2      ALA  53 -41.969  -3.761   4.049
  461   3HB   ALA  53           HB3      ALA  53 -42.373  -2.425   2.975
  462    H    HIS  54           HN       HIS  54 -43.425  -2.073   4.463
  463    HA   HIS  54           HA       HIS  54 -45.944  -2.442   5.935
  464   1HB   HIS  54           HB1      HIS  54 -44.707  -3.685   7.453
  465   2HB   HIS  54           HB2      HIS  54 -44.316  -2.086   8.069
  466    HD1  HIS  54           HD1      HIS  54 -42.770  -4.983   6.634
  467    HD2  HIS  54           HD2      HIS  54 -41.708  -1.054   7.041
  468    HE1  HIS  54           HE1      HIS  54 -40.346  -4.925   6.313
  469    H    SER  55           HN       SER  55 -46.523  -0.461   5.057
  470    HA   SER  55           HA       SER  55 -45.246   1.867   6.418
  471   1HB   SER  55           HB1      SER  55 -45.075   3.088   4.374
  472   2HB   SER  55           HB2      SER  55 -46.289   2.080   3.563
  473    HG   SER  55           HG1      SER  55 -43.849   1.700   3.255
  474    H    LYS  56           HN       LYS  56 -47.909   0.077   6.072
  475    HA   LYS  56           HA       LYS  56 -49.644   2.326   6.887
  476   1HB   LYS  56           HB1      LYS  56 -51.447   1.380   5.289
  477   2HB   LYS  56           HB2      LYS  56 -50.152   0.471   4.519
  478   1HG   LYS  56           HG1      LYS  56 -48.993   2.491   3.899
  479   2HG   LYS  56           HG2      LYS  56 -50.055   3.478   4.896
  480   1HD   LYS  56           HD1      LYS  56 -51.973   2.890   3.467
  481   2HD   LYS  56           HD2      LYS  56 -50.943   1.851   2.488
  482   1HE   LYS  56           HE1      LYS  56 -51.104   3.945   1.316
  483   2HE   LYS  56           HE2      LYS  56 -49.500   3.903   2.038
  484   1HZ   LYS  56           HZ1      LYS  56 -50.477   6.025   2.431
  485   2HZ   LYS  56           HZ2      LYS  56 -50.401   5.196   3.910
  486   3HZ   LYS  56           HZ3      LYS  56 -51.880   5.326   3.086
  487    H    LYS  57           HN       LYS  57 -49.477  -1.152   6.228
  488    HA   LYS  57           HA       LYS  57 -51.652  -1.973   7.798
  489   1HB   LYS  57           HB1      LYS  57 -49.035  -3.514   7.725
  490   2HB   LYS  57           HB2      LYS  57 -50.010  -3.346   6.269
  491   1HG   LYS  57           HG1      LYS  57 -51.949  -4.330   7.441
  492   2HG   LYS  57           HG2      LYS  57 -50.994  -4.473   8.913
  493   1HD   LYS  57           HD1      LYS  57 -49.875  -5.682   6.416
  494   2HD   LYS  57           HD2      LYS  57 -51.220  -6.513   7.191
  495   1HE   LYS  57           HE1      LYS  57 -49.991  -6.586   9.312
  496   2HE   LYS  57           HE2      LYS  57 -48.670  -5.667   8.605
  497   1HZ   LYS  57           HZ1      LYS  57 -49.280  -7.941   7.026
  498   2HZ   LYS  57           HZ2      LYS  57 -48.957  -8.396   8.630
  499   3HZ   LYS  57                 LYS  57 -47.811  -7.499   7.754
   
  Start of MODEL          58
 Raw file had 499 H/Q atoms
  Start of MODEL   58
    1   1H    LYS   1           HT1      LYS   1  -8.502  -4.135  -9.009
    2   2H    LYS   1           HT2      LYS   1  -7.730  -4.403 -10.498
    3   3H    LYS   1           HT3      LYS   1  -9.231  -5.129 -10.177
    4    HA   LYS   1           HA       LYS   1  -8.598  -2.346 -10.856
    5   1HB   LYS   1           HB1      LYS   1 -10.676  -2.657 -12.234
    6   2HB   LYS   1           HB2      LYS   1 -10.869  -4.274 -11.567
    7   1HG   LYS   1           HG1      LYS   1  -8.202  -3.681 -12.735
    8   2HG   LYS   1           HG2      LYS   1  -9.533  -3.764 -13.883
    9   1HD   LYS   1           HD1      LYS   1 -10.139  -5.987 -13.108
   10   2HD   LYS   1           HD2      LYS   1  -8.965  -5.897 -11.802
   11   1HE   LYS   1           HE1      LYS   1  -8.359  -5.917 -14.777
   12   2HE   LYS   1           HE2      LYS   1  -8.012  -7.205 -13.631
   13   1HZ   LYS   1           HZ1      LYS   1  -6.013  -6.093 -13.839
   14   2HZ   LYS   1           HZ2      LYS   1  -6.661  -5.431 -12.415
   15   3HZ   LYS   1           HZ3      LYS   1  -6.738  -4.558 -13.871
   16    OH   TYR   2           OH       TYR   2  -7.784   2.212  -8.883
   17    H    TYR   2           HN       TYR   2 -11.855  -2.928 -10.739
   18    HA   TYR   2           HA       TYR   2 -12.194  -2.106  -7.923
   19   1HB   TYR   2           HB1      TYR   2 -13.463  -0.071  -8.571
   20   2HB   TYR   2           HB2      TYR   2 -13.155  -0.405 -10.274
   21    HD1  TYR   2           HD2      TYR   2 -11.454   0.312  -7.040
   22    HD2  TYR   2           HD1      TYR   2 -11.099   0.276 -11.277
   23    HE1  TYR   2           HE2      TYR   2  -9.308   1.481  -6.871
   24    HE2  TYR   2           HE1      TYR   2  -8.956   1.452 -11.108
   25    HH   TYR   2           HH       TYR   2  -7.873   3.052  -9.339
   26    H    ILE   3           HN       ILE   3 -13.065  -4.382  -8.401
   27    HA   ILE   3           HA       ILE   3 -15.965  -4.137  -9.101
   28    HB   ILE   3           HB       ILE   3 -14.260  -6.648  -9.392
   29   1HG1  ILE   3          HG11      ILE   3 -13.291  -4.923 -10.839
   30   2HG1  ILE   3          HG12      ILE   3 -14.883  -4.531 -11.482
   31   1HG2  ILE   3          HG21      ILE   3 -16.862  -6.656  -9.320
   32   2HG2  ILE   3          HG22      ILE   3 -16.128  -7.432 -10.716
   33   3HG2  ILE   3          HG23      ILE   3 -16.802  -5.812 -10.863
   34   1HD1  ILE   3           HD1      ILE   3 -15.026  -6.510 -12.701
   35   2HD1  ILE   3           HD2      ILE   3 -13.944  -7.378 -11.617
   36   3HD1  ILE   3           HD3      ILE   3 -13.291  -6.221 -12.771
   37    H    CYS   4           HN       CYS   4 -16.941  -4.108  -7.112
   38    HA   CYS   4           HA       CYS   4 -15.915  -5.293  -4.779
   39   1HB   CYS   4           HB1      CYS   4 -18.783  -4.828  -5.627
   40   2HB   CYS   4           HB2      CYS   4 -17.811  -3.802  -4.609
   41    H    GLU   5           HN       GLU   5 -15.393  -7.297  -4.443
   42    HA   GLU   5           HA       GLU   5 -16.164  -9.500  -6.025
   43   1HB   GLU   5           HB1      GLU   5 -15.422 -10.808  -3.856
   44   2HB   GLU   5           HB2      GLU   5 -15.016  -9.211  -3.236
   45   1HG   GLU   5           HG1      GLU   5 -13.641  -8.836  -5.328
   46   2HG   GLU   5           HG2      GLU   5 -13.926 -10.523  -5.747
   47    H    GLU   6           HN       GLU   6 -17.876  -7.942  -3.472
   48    HA   GLU   6           HA       GLU   6 -19.570 -10.268  -2.972
   49   1HB   GLU   6           HB1      GLU   6 -20.095  -7.447  -1.989
   50   2HB   GLU   6           HB2      GLU   6 -18.846  -8.437  -1.246
   51   1HG   GLU   6           HG1      GLU   6 -20.509 -10.188  -0.752
   52   2HG   GLU   6           HG2      GLU   6 -21.764  -9.233  -1.536
   53    H    CYS   7           HN       CYS   7 -20.389  -6.895  -3.776
   54    HA   CYS   7           HA       CYS   7 -22.894  -7.762  -4.993
   55   1HB   CYS   7           HB1      CYS   7 -23.318  -5.442  -5.325
   56   2HB   CYS   7           HB2      CYS   7 -21.626  -5.043  -5.353
   57    H    GLY   8           HN       GLY   8 -19.928  -6.228  -6.190
   58   1HA   GLY   8           HA1      GLY   8 -20.548  -7.347  -8.894
   59   2HA   GLY   8           HA2      GLY   8 -18.919  -7.064  -8.290
   60    H    ILE   9           HN       ILE   9 -20.320  -4.521  -7.072
   61    HA   ILE   9           HA       ILE   9 -21.126  -2.784  -9.089
   62    HB   ILE   9           HB       ILE   9 -20.935  -2.391  -6.525
   63   1HG1  ILE   9          HG11      ILE   9 -20.482  -0.436  -8.730
   64   2HG1  ILE   9          HG12      ILE   9 -20.240   0.147  -7.088
   65   1HG2  ILE   9          HG21      ILE   9 -18.349  -2.827  -6.692
   66   2HG2  ILE   9          HG22      ILE   9 -18.869  -1.481  -5.694
   67   3HG2  ILE   9          HG23      ILE   9 -18.245  -1.185  -7.309
   68   1HD1  ILE   9           HD1      ILE   9 -22.700  -1.458  -7.764
   69   2HD1  ILE   9           HD2      ILE   9 -22.645   0.263  -8.133
   70   3HD1  ILE   9           HD3      ILE   9 -22.467  -0.287  -6.469
   71    NH1  ARG  10           NH1      ARG  10 -16.436  -3.743 -16.587
   72    NH2  ARG  10           NH2      ARG  10 -16.060  -5.368 -15.026
   73    H    ARG  10           HN       ARG  10 -20.187  -1.856 -10.777
   74    HA   ARG  10           HA       ARG  10 -17.251  -2.223 -11.107
   75   1HB   ARG  10           HB1      ARG  10 -19.377  -1.459 -13.164
   76   2HB   ARG  10           HB2      ARG  10 -18.872  -3.113 -12.856
   77   1HG   ARG  10           HG1      ARG  10 -17.028  -0.864 -13.756
   78   2HG   ARG  10           HG2      ARG  10 -17.677  -2.113 -14.809
   79   1HD   ARG  10           HD1      ARG  10 -16.617  -3.703 -12.906
   80   2HD   ARG  10           HD2      ARG  10 -15.549  -2.314 -12.724
   81    HE   ARG  10           HE       ARG  10 -14.603  -2.842 -14.821
   82   1HH1  ARG  10          HH11      ARG  10 -16.371  -2.782 -16.855
   83   2HH1  ARG  10          HH12      ARG  10 -16.837  -4.410 -17.214
   84   1HH2  ARG  10          HH21      ARG  10 -15.713  -5.626 -14.125
   85   2HH2  ARG  10          HH22      ARG  10 -16.455  -6.063 -15.627
   86    H    ABA  11           HN       ABU  11 -16.227  -0.492 -10.295
   87    HA   ABA  11           HA       ABU  11 -17.039   2.185 -11.345
   88   1HB   ABA  11           HB1      ABU  11 -16.582   3.160  -9.163
   89   2HB   ABA  11           HB2      ABU  11 -15.927   1.651  -8.559
   90   1HG   ABA  11           HG1      ABU  11 -18.812   2.135  -9.367
   91   2HG   ABA  11           HG2      ABU  11 -18.217   1.980  -7.717
   92   3HG   ABA  11           HG3      ABU  11 -18.165   0.599  -8.807
   93    H    LYS  12           HN       LYS  12 -15.412   2.117 -12.892
   94    HA   LYS  12           HA       LYS  12 -12.750   1.345 -12.531
   95   1HB   LYS  12           HB1      LYS  12 -12.305   3.083 -14.392
   96   2HB   LYS  12           HB2      LYS  12 -14.012   3.493 -14.276
   97   1HG   LYS  12           HG1      LYS  12 -14.609   1.132 -14.735
   98   2HG   LYS  12           HG2      LYS  12 -12.900   0.726 -14.851
   99   1HD   LYS  12           HD1      LYS  12 -12.614   2.095 -16.802
  100   2HD   LYS  12           HD2      LYS  12 -14.188   2.850 -16.584
  101   1HE   LYS  12           HE1      LYS  12 -13.857  -0.126 -17.040
  102   2HE   LYS  12           HE2      LYS  12 -14.079   1.014 -18.360
  103   1HZ   LYS  12           HZ1      LYS  12 -16.024  -0.137 -16.736
  104   2HZ   LYS  12           HZ2      LYS  12 -16.237   0.987 -17.991
  105   3HZ   LYS  12           HZ3      LYS  12 -16.009   1.526 -16.396
  106    H    LYS  13           HN       LYS  13 -14.307   3.768 -10.867
  107    HA   LYS  13           HA       LYS  13 -11.817   5.348 -10.522
  108   1HB   LYS  13           HB1      LYS  13 -13.399   7.005  -9.417
  109   2HB   LYS  13           HB2      LYS  13 -14.722   5.923  -9.836
  110   1HG   LYS  13           HG1      LYS  13 -14.135   6.107 -12.223
  111   2HG   LYS  13           HG2      LYS  13 -12.782   7.157 -11.820
  112   1HD   LYS  13           HD1      LYS  13 -15.486   7.922 -10.796
  113   2HD   LYS  13           HD2      LYS  13 -15.164   8.159 -12.509
  114   1HE   LYS  13           HE1      LYS  13 -13.173   9.491 -11.983
  115   2HE   LYS  13           HE2      LYS  13 -13.399   9.191 -10.265
  116   1HZ   LYS  13           HZ1      LYS  13 -15.575  10.303 -10.448
  117   2HZ   LYS  13           HZ2      LYS  13 -15.211  10.701 -12.058
  118   3HZ   LYS  13           HZ3      LYS  13 -14.264  11.327 -10.794
  119    HA   PRO  14           HA       PRO  14 -11.430   3.238  -6.536
  120   1HB   PRO  14           HB1      PRO  14  -9.213   3.690  -6.094
  121   2HB   PRO  14           HB2      PRO  14  -9.673   5.277  -5.477
  122   1HG   PRO  14           HG1      PRO  14  -8.268   4.706  -7.919
  123   2HG   PRO  14           HG2      PRO  14  -8.811   6.283  -7.346
  124   1HD   PRO  14           HD1      PRO  14 -10.392   6.312  -8.990
  125   2HD   PRO  14           HD2      PRO  14  -9.900   4.685  -9.504
  126    H    SER  15           HN       SER  15 -11.816   6.751  -6.747
  127    HA   SER  15           HA       SER  15 -12.643   7.280  -4.117
  128   1HB   SER  15           HB1      SER  15 -12.357   9.073  -5.834
  129   2HB   SER  15           HB2      SER  15 -14.012   9.156  -5.201
  130    HG   SER  15           HG1      SER  15 -13.326   7.500  -7.384
  131    H    MET  16           HN       MET  16 -14.637   6.279  -6.882
  132    HA   MET  16           HA       MET  16 -17.066   6.131  -5.341
  133   1HB   MET  16           HB1      MET  16 -17.710   4.609  -7.408
  134   2HB   MET  16           HB2      MET  16 -16.147   5.120  -8.037
  135   1HG   MET  16           HG1      MET  16 -16.793   7.479  -7.695
  136   2HG   MET  16           HG2      MET  16 -18.354   6.963  -7.117
  137   1HE   MET  16           HE1      MET  16 -17.916   9.160  -9.981
  138   2HE   MET  16           HE2      MET  16 -18.682   8.928  -8.409
  139   3HE   MET  16           HE3      MET  16 -19.624   8.731  -9.887
  140    H    LEU  17           HN       LEU  17 -14.793   3.593  -6.469
  141    HA   LEU  17           HA       LEU  17 -16.254   1.454  -5.266
  142   1HB   LEU  17           HB1      LEU  17 -13.231   1.495  -5.541
  143   2HB   LEU  17           HB2      LEU  17 -14.243   1.408  -6.963
  144    HG   LEU  17           HG       LEU  17 -13.479  -0.854  -6.138
  145   1HD1  LEU  17          HD11      LEU  17 -13.659  -0.170  -3.676
  146   2HD1  LEU  17          HD12      LEU  17 -14.248  -1.773  -4.087
  147   3HD1  LEU  17          HD13      LEU  17 -15.387  -0.466  -3.821
  148   1HD2  LEU  17          HD21      LEU  17 -15.777  -0.328  -7.327
  149   2HD2  LEU  17          HD22      LEU  17 -16.471  -0.790  -5.782
  150   3HD2  LEU  17          HD23      LEU  17 -15.476  -1.930  -6.673
  151    H    LYS  18           HN       LYS  18 -13.284   3.065  -4.190
  152    HA   LYS  18           HA       LYS  18 -12.858   1.990  -1.730
  153   1HB   LYS  18           HB1      LYS  18 -12.229   4.344  -0.945
  154   2HB   LYS  18           HB2      LYS  18 -12.891   4.955  -2.453
  155   1HG   LYS  18           HG1      LYS  18 -10.786   4.618  -3.271
  156   2HG   LYS  18           HG2      LYS  18 -11.269   2.929  -3.353
  157   1HD   LYS  18           HD1      LYS  18  -9.178   3.002  -2.145
  158   2HD   LYS  18           HD2      LYS  18 -10.442   2.664  -0.970
  159   1HE   LYS  18           HE1      LYS  18 -10.227   5.508  -1.195
  160   2HE   LYS  18           HE2      LYS  18  -8.600   4.867  -1.012
  161   1HZ   LYS  18           HZ1      LYS  18  -9.185   4.982   1.147
  162   2HZ   LYS  18           HZ2      LYS  18  -9.823   3.442   0.822
  163   3HZ   LYS  18           HZ3      LYS  18 -10.846   4.798   0.842
  164    H    LYS  19           HN       LYS  19 -15.265   4.530  -2.371
  165    HA   LYS  19           HA       LYS  19 -16.233   4.540   0.324
  166   1HB   LYS  19           HB1      LYS  19 -18.361   5.425  -1.234
  167   2HB   LYS  19           HB2      LYS  19 -16.992   5.729  -2.294
  168   1HG   LYS  19           HG1      LYS  19 -17.145   6.658   0.597
  169   2HG   LYS  19           HG2      LYS  19 -17.525   7.670  -0.790
  170   1HD   LYS  19           HD1      LYS  19 -15.236   7.312  -1.675
  171   2HD   LYS  19           HD2      LYS  19 -14.852   6.322  -0.274
  172   1HE   LYS  19           HE1      LYS  19 -15.776   9.207  -0.107
  173   2HE   LYS  19           HE2      LYS  19 -14.088   8.714  -0.062
  174   1HZ   LYS  19           HZ1      LYS  19 -16.073   8.609   1.994
  175   2HZ   LYS  19           HZ2      LYS  19 -14.379   8.544   2.114
  176   3HZ   LYS  19           HZ3      LYS  19 -15.264   7.129   1.797
  177    H    HIS  20           HN       HIS  20 -17.209   2.869  -2.626
  178    HA   HIS  20           HA       HIS  20 -19.617   1.735  -1.644
  179   1HB   HIS  20           HB1      HIS  20 -17.599   0.617  -3.629
  180   2HB   HIS  20           HB2      HIS  20 -18.999   1.601  -4.039
  181    HD1  HIS  20           HD1      HIS  20 -21.054   0.218  -4.417
  182    HD2  HIS  20           HD2      HIS  20 -18.243  -1.909  -2.388
  183    HE1  HIS  20           HE1      HIS  20 -21.986  -2.033  -4.175
  184    H    ILE  21           HN       ILE  21 -16.331   0.329  -1.747
  185    HA   ILE  21           HA       ILE  21 -17.033  -2.065  -0.412
  186    HB   ILE  21           HB       ILE  21 -14.716  -1.193  -1.517
  187   1HG1  ILE  21          HG11      ILE  21 -14.942  -3.191   0.768
  188   2HG1  ILE  21          HG12      ILE  21 -13.553  -3.068  -0.302
  189   1HG2  ILE  21          HG21      ILE  21 -14.095  -1.057   1.469
  190   2HG2  ILE  21          HG22      ILE  21 -14.449   0.385   0.540
  191   3HG2  ILE  21          HG23      ILE  21 -13.059  -0.590   0.126
  192   1HD1  ILE  21           HD1      ILE  21 -14.632  -4.490  -1.695
  193   2HD1  ILE  21           HD2      ILE  21 -15.762  -3.185  -2.036
  194   3HD1  ILE  21           HD3      ILE  21 -16.125  -4.354  -0.773
  195    NH1  ARG  22           NH1      ARG  22 -11.940   5.614   2.670
  196    NH2  ARG  22           NH2      ARG  22 -11.679   5.288   4.916
  197    H    ARG  22           HN       ARG  22 -16.400   1.144   0.818
  198    HA   ARG  22           HA       ARG  22 -16.237   0.280   3.606
  199   1HB   ARG  22           HB1      ARG  22 -16.707   2.856   3.917
  200   2HB   ARG  22           HB2      ARG  22 -16.548   2.944   2.166
  201   1HG   ARG  22           HG1      ARG  22 -14.307   1.911   2.314
  202   2HG   ARG  22           HG2      ARG  22 -14.465   1.805   4.063
  203   1HD   ARG  22           HD1      ARG  22 -14.784   4.321   4.097
  204   2HD   ARG  22           HD2      ARG  22 -14.372   4.332   2.384
  205    HE   ARG  22           HE       ARG  22 -12.334   2.930   3.829
  206   1HH1  ARG  22          HH11      ARG  22 -12.298   5.291   1.794
  207   2HH1  ARG  22          HH12      ARG  22 -11.438   6.477   2.718
  208   1HH2  ARG  22          HH21      ARG  22 -11.840   4.721   5.724
  209   2HH2  ARG  22          HH22      ARG  22 -11.173   6.145   5.001
  210    H    THR  23           HN       THR  23 -18.763   0.804   1.373
  211    HA   THR  23           HA       THR  23 -20.781   1.593   3.292
  212    HB   THR  23           HB       THR  23 -21.386   0.046   0.720
  213    HG1  THR  23           HG1      THR  23 -19.650   1.700   0.575
  214   1HG2  THR  23          HG21      THR  23 -22.521   2.575   2.049
  215   2HG2  THR  23          HG22      THR  23 -23.279   0.988   2.148
  216   3HG2  THR  23          HG23      THR  23 -23.171   1.818   0.598
  217    H    HIS  24           HN       HIS  24 -19.278  -1.417   2.498
  218    HA   HIS  24           HA       HIS  24 -21.489  -3.075   3.461
  219   1HB   HIS  24           HB1      HIS  24 -19.531  -4.829   3.554
  220   2HB   HIS  24           HB2      HIS  24 -18.551  -3.569   2.812
  221    HD1  HIS  24           HD1      HIS  24 -21.633  -5.544   2.057
  222    HD2  HIS  24           HD2      HIS  24 -18.918  -3.223   0.101
  223    HE1  HIS  24           HE1      HIS  24 -22.123  -5.828  -0.345
  224    H    THR  25           HN       THR  25 -19.927  -0.877   5.055
  225    HA   THR  25           HA       THR  25 -19.103  -2.474   7.400
  226    HB   THR  25           HB       THR  25 -18.455  -0.132   8.242
  227    HG1  THR  25           HG1      THR  25 -18.703   1.412   6.430
  228   1HG2  THR  25          HG21      THR  25 -16.678  -1.156   6.896
  229   2HG2  THR  25          HG22      THR  25 -16.915   0.453   6.224
  230   3HG2  THR  25          HG23      THR  25 -17.613  -0.947   5.420
  231    H    ASP  26           HN       ASP  26 -20.264   0.547   8.172
  232    HA   ASP  26           HA       ASP  26 -23.016  -0.309   8.740
  233   1HB   ASP  26           HB1      ASP  26 -22.758   0.230  11.183
  234   2HB   ASP  26           HB2      ASP  26 -21.038   0.521  10.931
  235    H    VAL  27           HN       VAL  27 -21.654   1.601   7.113
  236    HA   VAL  27           HA       VAL  27 -22.298   4.187   8.400
  237    HB   VAL  27           HB       VAL  27 -20.146   3.975   7.215
  238   1HG1  VAL  27          HG11      VAL  27 -20.865   2.176   5.655
  239   2HG1  VAL  27          HG12      VAL  27 -20.049   3.485   4.818
  240   3HG1  VAL  27          HG13      VAL  27 -21.802   3.351   4.753
  241   1HG2  VAL  27          HG21      VAL  27 -21.441   5.620   5.171
  242   2HG2  VAL  27          HG22      VAL  27 -20.303   6.095   6.428
  243   3HG2  VAL  27          HG23      VAL  27 -22.023   5.994   6.790
  244    NH1  ARG  28           NH1      ARG  28 -24.251  -1.721   6.388
  245    NH2  ARG  28           NH2      ARG  28 -25.464  -2.998   4.931
  246    H    ARG  28           HN       ARG  28 -24.527   2.694   7.936
  247    HA   ARG  28           HA       ARG  28 -25.827   4.008   5.579
  248   1HB   ARG  28           HB1      ARG  28 -27.531   2.069   5.991
  249   2HB   ARG  28           HB2      ARG  28 -26.269   1.356   6.988
  250   1HG   ARG  28           HG1      ARG  28 -24.711   1.492   5.037
  251   2HG   ARG  28           HG2      ARG  28 -26.032   2.108   4.055
  252   1HD   ARG  28           HD1      ARG  28 -26.830   0.019   3.719
  253   2HD   ARG  28           HD2      ARG  28 -26.857  -0.299   5.452
  254    HE   ARG  28           HE       ARG  28 -24.379  -0.641   3.805
  255   1HH1  ARG  28          HH11      ARG  28 -23.851  -0.835   6.621
  256   2HH1  ARG  28          HH12      ARG  28 -24.139  -2.499   7.007
  257   1HH2  ARG  28          HH21      ARG  28 -25.972  -3.068   4.073
  258   2HH2  ARG  28          HH22      ARG  28 -25.373  -3.797   5.525
  259    HA   PRO  29           HA       PRO  29 -27.683   5.833   9.428
  260   1HB   PRO  29           HB1      PRO  29 -27.201   8.061   9.176
  261   2HB   PRO  29           HB2      PRO  29 -28.344   8.180   7.838
  262   1HG   PRO  29           HG1      PRO  29 -25.433   8.102   7.716
  263   2HG   PRO  29           HG2      PRO  29 -26.572   8.356   6.393
  264   1HD   PRO  29           HD1      PRO  29 -26.286   6.217   5.668
  265   2HD   PRO  29           HD2      PRO  29 -25.017   6.012   6.887
  266    OH   TYR  30           OH       TYR  30 -29.485  10.597   3.056
  267    H    TYR  30           HN       TYR  30 -28.886   5.547   6.150
  268    HA   TYR  30           HA       TYR  30 -31.637   6.196   6.862
  269   1HB   TYR  30           HB1      TYR  30 -32.135   5.276   4.572
  270   2HB   TYR  30           HB2      TYR  30 -30.475   4.705   4.456
  271    HD1  TYR  30           HD1      TYR  30 -32.366   7.850   5.212
  272    HD2  TYR  30           HD2      TYR  30 -28.893   6.127   3.461
  273    HE1  TYR  30           HE1      TYR  30 -31.664  10.063   4.427
  274    HE2  TYR  30           HE2      TYR  30 -28.191   8.341   2.677
  275    HH   TYR  30           HH       TYR  30 -30.208  10.975   2.551
  276    H    HIS  31           HN       HIS  31 -32.246   4.887   8.570
  277    HA   HIS  31           HA       HIS  31 -32.213   1.935   8.106
  278   1HB   HIS  31           HB1      HIS  31 -32.695   1.813  10.567
  279   2HB   HIS  31           HB2      HIS  31 -32.750   3.571  10.635
  280    HD1  HIS  31           HD1      HIS  31 -30.326   0.887   9.893
  281    HD2  HIS  31           HD2      HIS  31 -30.302   4.816  10.895
  282    HE1  HIS  31           HE1      HIS  31 -27.989   1.414  10.287
  283    H    CYS  32           HN       CYS  32 -34.078   0.828   7.783
  284    HA   CYS  32           HA       CYS  32 -36.484   2.120   7.116
  285   1HB   CYS  32           HB1      CYS  32 -35.765  -0.672   8.012
  286   2HB   CYS  32           HB2      CYS  32 -36.358  -0.144   6.461
  287    H    THR  33           HN       THR  33 -38.493   2.288   8.242
  288    HA   THR  33           HA       THR  33 -38.082   2.936  11.086
  289    HB   THR  33           HB       THR  33 -40.482   3.257   9.187
  290    HG1  THR  33           HG1      THR  33 -38.364   4.781  10.233
  291   1HG2  THR  33          HG21      THR  33 -40.142   3.667  12.154
  292   2HG2  THR  33          HG22      THR  33 -41.632   3.427  11.246
  293   3HG2  THR  33          HG23      THR  33 -40.864   5.012  11.276
  294    OH   TYR  34           OH       TYR  34 -44.395   2.608   9.440
  295    H    TYR  34           HN       TYR  34 -38.133   0.137  10.003
  296    HA   TYR  34           HA       TYR  34 -39.867  -0.955  12.114
  297   1HB   TYR  34           HB1      TYR  34 -41.101  -2.439  10.576
  298   2HB   TYR  34           HB2      TYR  34 -40.180  -1.841   9.202
  299    HD1  TYR  34           HD2      TYR  34 -40.583   0.445   8.334
  300    HD2  TYR  34           HD1      TYR  34 -42.874  -1.084  11.573
  301    HE1  TYR  34           HE2      TYR  34 -42.222   2.234   8.015
  302    HE2  TYR  34           HE1      TYR  34 -44.514   0.712  11.251
  303    HH   TYR  34           HH       TYR  34 -44.002   3.270   8.868
  304    H    CYS  35           HN       CYS  35 -38.389  -2.327   9.187
  305    HA   CYS  35           HA       CYS  35 -37.314  -4.613  10.482
  306   1HB   CYS  35           HB1      CYS  35 -35.977  -4.895   8.473
  307   2HB   CYS  35           HB2      CYS  35 -36.071  -3.197   8.100
  308    H    ASN  36           HN       ASN  36 -34.660  -4.661   9.653
  309    HA   ASN  36           HA       ASN  36 -33.364  -2.671  11.469
  310   1HB   ASN  36           HB1      ASN  36 -32.744  -5.645  11.071
  311   2HB   ASN  36           HB2      ASN  36 -33.403  -4.914  12.532
  312   1HD2  ASN  36          HD21      ASN  36 -30.556  -6.049  11.277
  313   2HD2  ASN  36          HD22      ASN  36 -29.456  -5.090  12.143
  314    H    PHE  37           HN       PHE  37 -33.745  -3.553   8.388
  315    HA   PHE  37           HA       PHE  37 -30.976  -3.608   7.485
  316   1HB   PHE  37           HB1      PHE  37 -33.295  -2.867   5.695
  317   2HB   PHE  37           HB2      PHE  37 -33.230  -4.502   6.347
  318    HD1  PHE  37           HD2      PHE  37 -31.056  -5.842   5.992
  319    HD2  PHE  37           HD1      PHE  37 -31.934  -2.263   3.858
  320    HE1  PHE  37           HE2      PHE  37 -29.389  -6.444   4.292
  321    HE2  PHE  37           HE1      PHE  37 -30.264  -2.870   2.159
  322    HZ   PHE  37           HZ       PHE  37 -28.992  -4.960   2.376
  323    H    SER  38           HN       SER  38 -29.977  -1.962   6.193
  324    HA   SER  38           HA       SER  38 -31.213   0.720   6.394
  325   1HB   SER  38           HB1      SER  38 -28.314   0.259   7.202
  326   2HB   SER  38           HB2      SER  38 -29.622   0.205   8.387
  327    HG   SER  38           HG1      SER  38 -30.090   2.265   8.022
  328    H    PHE  39           HN       PHE  39 -30.364   2.246   4.958
  329    HA   PHE  39           HA       PHE  39 -28.738   1.060   2.745
  330   1HB   PHE  39           HB1      PHE  39 -30.121   2.261   1.193
  331   2HB   PHE  39           HB2      PHE  39 -30.770   3.303   2.459
  332    HD1  PHE  39           HD2      PHE  39 -32.297   2.299   4.210
  333    HD2  PHE  39           HD1      PHE  39 -31.109   0.112   0.752
  334    HE1  PHE  39           HE2      PHE  39 -34.097   0.677   4.613
  335    HE2  PHE  39           HE1      PHE  39 -32.921  -1.498   1.153
  336    HZ   PHE  39           HZ       PHE  39 -34.412  -1.218   3.087
  337    H    LYS  40           HN       LYS  40 -27.496   2.604   1.507
  338    HA   LYS  40           HA       LYS  40 -26.242   4.582   3.294
  339   1HB   LYS  40           HB1      LYS  40 -25.569   3.487   0.528
  340   2HB   LYS  40           HB2      LYS  40 -24.805   3.044   2.036
  341   1HG   LYS  40           HG1      LYS  40 -24.663   5.769   0.690
  342   2HG   LYS  40           HG2      LYS  40 -23.359   4.603   0.823
  343   1HD   LYS  40           HD1      LYS  40 -23.767   4.757   3.384
  344   2HD   LYS  40           HD2      LYS  40 -24.622   6.246   3.008
  345   1HE   LYS  40           HE1      LYS  40 -21.723   5.581   2.456
  346   2HE   LYS  40           HE2      LYS  40 -22.360   6.898   3.433
  347   1HZ   LYS  40           HZ1      LYS  40 -21.778   6.883   0.696
  348   2HZ   LYS  40           HZ2      LYS  40 -22.355   8.166   1.647
  349   3HZ   LYS  40           HZ3      LYS  40 -23.450   7.122   0.877
  350    H    THR  41           HN       THR  41 -28.523   4.506   0.751
  351    HA   THR  41           HA       THR  41 -28.289   7.480   0.492
  352    HB   THR  41           HB       THR  41 -28.721   7.306  -1.901
  353    HG1  THR  41           HG1      THR  41 -30.280   5.813  -2.003
  354   1HG2  THR  41          HG21      THR  41 -26.427   6.207  -0.978
  355   2HG2  THR  41          HG22      THR  41 -26.879   5.971  -2.664
  356   3HG2  THR  41          HG23      THR  41 -27.195   4.704  -1.482
  357    H    LYS  42           HN       LYS  42 -30.232   8.580  -0.008
  358    HA   LYS  42           HA       LYS  42 -32.484   7.535   1.433
  359   1HB   LYS  42           HB1      LYS  42 -32.256   9.968  -0.408
  360   2HB   LYS  42           HB2      LYS  42 -31.919   9.981   1.317
  361   1HG   LYS  42           HG1      LYS  42 -34.605   9.330   0.047
  362   2HG   LYS  42           HG2      LYS  42 -34.195  10.829   0.867
  363   1HD   LYS  42           HD1      LYS  42 -33.511   9.146   2.827
  364   2HD   LYS  42           HD2      LYS  42 -34.688   8.114   2.022
  365   1HE   LYS  42           HE1      LYS  42 -36.288  10.103   2.083
  366   2HE   LYS  42           HE2      LYS  42 -35.135  10.889   3.154
  367   1HZ   LYS  42           HZ1      LYS  42 -35.370   8.531   4.343
  368   2HZ   LYS  42           HZ2      LYS  42 -36.920   8.663   3.664
  369   3HZ   LYS  42           HZ3      LYS  42 -36.349   9.867   4.717
  370    H    GLY  43           HN       GLY  43 -31.459   7.449  -1.843
  371   1HA   GLY  43           HA1      GLY  43 -32.469   6.546  -3.762
  372   2HA   GLY  43           HA2      GLY  43 -33.994   7.169  -3.138
  373    H    ASN  44           HN       ASN  44 -31.666   4.552  -2.511
  374    HA   ASN  44           HA       ASN  44 -33.340   2.392  -2.934
  375   1HB   ASN  44           HB1      ASN  44 -31.890   1.223  -1.154
  376   2HB   ASN  44           HB2      ASN  44 -31.148   2.791  -0.848
  377   1HD2  ASN  44          HD21      ASN  44 -30.531   3.920  -3.136
  378   2HD2  ASN  44          HD22      ASN  44 -29.674   2.905  -4.194
  379    H    LEU  45           HN       LEU  45 -32.964   4.224   0.082
  380    HA   LEU  45           HA       LEU  45 -34.573   2.714   1.773
  381   1HB   LEU  45           HB1      LEU  45 -34.374   5.761   1.492
  382   2HB   LEU  45           HB2      LEU  45 -33.386   4.748   2.522
  383    HG   LEU  45           HG       LEU  45 -34.987   5.697   4.001
  384   1HD1  LEU  45          HD11      LEU  45 -36.594   6.107   1.805
  385   2HD1  LEU  45          HD12      LEU  45 -37.112   6.332   3.468
  386   3HD1  LEU  45          HD13      LEU  45 -37.471   4.833   2.631
  387   1HD2  LEU  45          HD21      LEU  45 -36.138   3.801   4.883
  388   2HD2  LEU  45          HD22      LEU  45 -34.700   3.159   4.099
  389   3HD2  LEU  45          HD23      LEU  45 -36.263   3.034   3.305
  390    H    THR  46           HN       THR  46 -35.674   5.316  -0.406
  391    HA   THR  46           HA       THR  46 -38.440   5.061   0.142
  392    HB   THR  46           HB       THR  46 -36.903   5.906  -2.379
  393    HG1  THR  46           HG1      THR  46 -38.563   7.577  -0.965
  394   1HG2  THR  46          HG21      THR  46 -39.904   5.896  -1.742
  395   2HG2  THR  46          HG22      THR  46 -39.135   5.291  -3.206
  396   3HG2  THR  46          HG23      THR  46 -39.207   7.024  -2.899
  397    H    LYS  47           HN       LYS  47 -36.346   3.267  -2.034
  398    HA   LYS  47           HA       LYS  47 -38.369   1.854  -3.453
  399   1HB   LYS  47           HB1      LYS  47 -35.773   0.510  -2.684
  400   2HB   LYS  47           HB2      LYS  47 -35.699   1.953  -3.688
  401   1HG   LYS  47           HG1      LYS  47 -37.115   0.938  -5.371
  402   2HG   LYS  47           HG2      LYS  47 -37.446  -0.442  -4.330
  403   1HD   LYS  47           HD1      LYS  47 -35.083  -1.103  -4.404
  404   2HD   LYS  47           HD2      LYS  47 -34.695   0.319  -5.366
  405   1HE   LYS  47           HE1      LYS  47 -36.864  -1.458  -6.386
  406   2HE   LYS  47           HE2      LYS  47 -35.217  -2.065  -6.496
  407   1HZ   LYS  47           HZ1      LYS  47 -36.502  -0.084  -8.058
  408   2HZ   LYS  47           HZ2      LYS  47 -35.001  -0.841  -8.304
  409   3HZ   LYS  47           HZ3      LYS  47 -35.103   0.551  -7.335
  410    H    HIS  48           HN       HIS  48 -36.884   1.298  -0.316
  411    HA   HIS  48           HA       HIS  48 -38.044  -1.338   0.029
  412   1HB   HIS  48           HB1      HIS  48 -36.950   0.696   2.038
  413   2HB   HIS  48           HB2      HIS  48 -36.065  -0.656   1.338
  414    HD1  HIS  48           HD1      HIS  48 -37.702  -2.972   1.807
  415    HD2  HIS  48           HD2      HIS  48 -37.740   0.027   4.584
  416    HE1  HIS  48           HE1      HIS  48 -38.471  -4.018   3.880
  417    H    MET  49           HN       MET  49 -39.049   1.940   0.752
  418    HA   MET  49           HA       MET  49 -41.368   1.008   2.306
  419   1HB   MET  49           HB1      MET  49 -41.908   3.469   2.379
  420   2HB   MET  49           HB2      MET  49 -40.567   3.777   1.282
  421   1HG   MET  49           HG1      MET  49 -39.004   2.806   2.901
  422   2HG   MET  49           HG2      MET  49 -40.322   2.435   3.979
  423   1HE   MET  49           HE1      MET  49 -41.160   5.414   5.881
  424   2HE   MET  49           HE2      MET  49 -40.504   3.801   6.159
  425   3HE   MET  49           HE3      MET  49 -41.822   4.032   5.011
  426    H    LYS  50           HN       LYS  50 -40.608   1.598  -0.963
  427    HA   LYS  50           HA       LYS  50 -43.235   2.391  -1.867
  428   1HB   LYS  50           HB1      LYS  50 -41.102   0.888  -3.454
  429   2HB   LYS  50           HB2      LYS  50 -41.017   2.620  -3.148
  430   1HG   LYS  50           HG1      LYS  50 -43.246   2.899  -4.221
  431   2HG   LYS  50           HG2      LYS  50 -43.281   1.176  -4.573
  432   1HD   LYS  50           HD1      LYS  50 -41.148   3.112  -5.550
  433   2HD   LYS  50           HD2      LYS  50 -42.487   2.519  -6.524
  434   1HE   LYS  50           HE1      LYS  50 -40.938   0.929  -7.130
  435   2HE   LYS  50           HE2      LYS  50 -41.502   0.152  -5.657
  436   1HZ   LYS  50           HZ1      LYS  50 -39.544   1.997  -4.942
  437   2HZ   LYS  50           HZ2      LYS  50 -38.940   1.105  -6.255
  438   3HZ   LYS  50           HZ3      LYS  50 -39.470   0.302  -4.857
  439    H    SER  51           HN       SER  51 -41.510  -0.726  -2.094
  440    HA   SER  51           HA       SER  51 -43.592  -2.263  -3.161
  441   1HB   SER  51           HB1      SER  51 -41.528  -3.057  -1.031
  442   2HB   SER  51           HB2      SER  51 -41.332  -3.212  -2.788
  443    HG   SER  51           HG1      SER  51 -42.128  -5.145  -1.765
  444    H    LYS  52           HN       LYS  52 -44.591  -4.149  -1.725
  445    HA   LYS  52           HA       LYS  52 -46.496  -2.802   0.007
  446   1HB   LYS  52           HB1      LYS  52 -47.215  -4.725  -1.351
  447   2HB   LYS  52           HB2      LYS  52 -47.359  -5.171   0.344
  448   1HG   LYS  52           HG1      LYS  52 -45.121  -6.272   0.217
  449   2HG   LYS  52           HG2      LYS  52 -45.047  -5.877  -1.496
  450   1HD   LYS  52           HD1      LYS  52 -47.320  -7.102  -1.681
  451   2HD   LYS  52           HD2      LYS  52 -46.954  -7.751  -0.087
  452   1HE   LYS  52           HE1      LYS  52 -45.203  -8.013  -2.554
  453   2HE   LYS  52           HE2      LYS  52 -46.174  -9.295  -1.844
  454   1HZ   LYS  52           HZ1      LYS  52 -43.748  -9.249  -1.238
  455   2HZ   LYS  52           HZ2      LYS  52 -44.841  -9.345   0.058
  456   3HZ   LYS  52           HZ3      LYS  52 -44.089  -7.868  -0.311
  457    H    ALA  53           HN       ALA  53 -43.779  -2.611   0.903
  458    HA   ALA  53           HA       ALA  53 -43.192  -4.447   3.005
  459   1HB   ALA  53           HB1      ALA  53 -41.478  -2.905   2.176
  460   2HB   ALA  53           HB2      ALA  53 -41.763  -2.507   3.867
  461   3HB   ALA  53           HB3      ALA  53 -42.462  -1.508   2.598
  462    H    HIS  54           HN       HIS  54 -43.141  -1.475   4.478
  463    HA   HIS  54           HA       HIS  54 -45.844  -1.612   5.594
  464   1HB   HIS  54           HB1      HIS  54 -45.012  -3.115   7.153
  465   2HB   HIS  54           HB2      HIS  54 -44.524  -1.628   7.953
  466    HD1  HIS  54           HD1      HIS  54 -43.118  -4.655   7.120
  467    HD2  HIS  54           HD2      HIS  54 -41.711  -0.835   6.725
  468    HE1  HIS  54           HE1      HIS  54 -40.692  -4.871   6.941
  469    H    SER  55           HN       SER  55 -46.063   0.492   4.865
  470    HA   SER  55           HA       SER  55 -44.603   2.511   6.519
  471   1HB   SER  55           HB1      SER  55 -45.191   2.580   3.512
  472   2HB   SER  55           HB2      SER  55 -43.603   2.678   4.298
  473    HG   SER  55           HG1      SER  55 -45.581   4.592   4.027
  474    H    LYS  56           HN       LYS  56 -47.540   1.314   5.290
  475    HA   LYS  56           HA       LYS  56 -48.975   3.851   5.891
  476   1HB   LYS  56           HB1      LYS  56 -50.900   2.749   4.803
  477   2HB   LYS  56           HB2      LYS  56 -50.037   1.220   4.745
  478   1HG   LYS  56           HG1      LYS  56 -48.672   3.576   3.515
  479   2HG   LYS  56           HG2      LYS  56 -50.081   2.957   2.663
  480   1HD   LYS  56           HD1      LYS  56 -48.055   0.959   3.606
  481   2HD   LYS  56           HD2      LYS  56 -47.631   1.962   2.227
  482   1HE   LYS  56           HE1      LYS  56 -48.746  -0.147   1.522
  483   2HE   LYS  56           HE2      LYS  56 -49.672   1.272   1.054
  484   1HZ   LYS  56           HZ1      LYS  56 -51.085  -0.422   2.006
  485   2HZ   LYS  56           HZ2      LYS  56 -51.074   0.962   2.990
  486   3HZ   LYS  56           HZ3      LYS  56 -50.180  -0.409   3.443
  487    H    LYS  57           HN       LYS  57 -47.962   2.794   8.143
  488    HA   LYS  57           HA       LYS  57 -50.391   1.989   9.558
  489   1HB   LYS  57           HB1      LYS  57 -48.916   0.187  10.765
  490   2HB   LYS  57           HB2      LYS  57 -47.846   0.342   9.377
  491   1HG   LYS  57           HG1      LYS  57 -49.656  -0.270   7.856
  492   2HG   LYS  57           HG2      LYS  57 -50.810  -0.289   9.185
  493   1HD   LYS  57           HD1      LYS  57 -49.417  -2.090  10.273
  494   2HD   LYS  57           HD2      LYS  57 -48.434  -2.140   8.815
  495   1HE   LYS  57           HE1      LYS  57 -50.806  -2.389   7.633
  496   2HE   LYS  57           HE2      LYS  57 -51.279  -2.997   9.214
  497   1HZ   LYS  57           HZ1      LYS  57 -50.397  -4.636   7.483
  498   2HZ   LYS  57           HZ2      LYS  57 -49.816  -4.757   9.074
  499   3HZ   LYS  57                 LYS  57 -48.863  -4.021   7.876
   
  Start of MODEL          59
 Raw file had 499 H/Q atoms
  Start of MODEL   59
    1   1H    LYS   1           HT1      LYS   1  -5.792  -1.162  -8.107
    2   2H    LYS   1           HT2      LYS   1  -4.997  -2.224  -7.047
    3   3H    LYS   1           HT3      LYS   1  -6.071  -1.060  -6.436
    4    HA   LYS   1           HA       LYS   1  -7.251  -2.780  -8.411
    5   1HB   LYS   1           HB1      LYS   1  -6.562  -3.943  -5.671
    6   2HB   LYS   1           HB2      LYS   1  -5.622  -4.311  -7.114
    7   1HG   LYS   1           HG1      LYS   1  -7.646  -5.183  -8.224
    8   2HG   LYS   1           HG2      LYS   1  -8.607  -4.783  -6.806
    9   1HD   LYS   1           HD1      LYS   1  -7.960  -6.672  -5.741
   10   2HD   LYS   1           HD2      LYS   1  -6.262  -6.350  -6.077
   11   1HE   LYS   1           HE1      LYS   1  -7.023  -8.465  -7.141
   12   2HE   LYS   1           HE2      LYS   1  -6.510  -7.283  -8.338
   13   1HZ   LYS   1           HZ1      LYS   1  -8.634  -6.915  -9.031
   14   2HZ   LYS   1           HZ2      LYS   1  -9.331  -7.361  -7.548
   15   3HZ   LYS   1           HZ3      LYS   1  -8.744  -8.555  -8.604
   16    OH   TYR   2           OH       TYR   2  -6.059   4.152  -6.161
   17    H    TYR   2           HN       TYR   2  -8.698  -0.977  -8.144
   18    HA   TYR   2           HA       TYR   2  -9.987  -0.661  -5.513
   19   1HB   TYR   2           HB1      TYR   2 -11.328   1.076  -6.709
   20   2HB   TYR   2           HB2      TYR   2 -10.594   0.588  -8.232
   21    HD1  TYR   2           HD2      TYR   2  -9.815   1.976  -4.872
   22    HD2  TYR   2           HD1      TYR   2  -8.441   1.401  -8.855
   23    HE1  TYR   2           HE2      TYR   2  -7.936   3.492  -4.443
   24    HE2  TYR   2           HE1      TYR   2  -6.557   2.909  -8.423
   25    HH   TYR   2           HH       TYR   2  -5.748   3.991  -5.268
   26    H    ILE   3           HN       ILE   3 -10.360  -3.206  -6.239
   27    HA   ILE   3           HA       ILE   3 -13.186  -3.298  -7.212
   28    HB   ILE   3           HB       ILE   3 -11.176  -5.587  -7.232
   29   1HG1  ILE   3          HG11      ILE   3 -10.235  -3.821  -8.611
   30   2HG1  ILE   3          HG12      ILE   3 -11.786  -3.542  -9.393
   31   1HG2  ILE   3          HG21      ILE   3 -13.798  -5.831  -7.473
   32   2HG2  ILE   3          HG22      ILE   3 -12.782  -6.654  -8.652
   33   3HG2  ILE   3          HG23      ILE   3 -13.559  -5.131  -9.071
   34   1HD1  ILE   3           HD1      ILE   3 -11.673  -5.522 -10.625
   35   2HD1  ILE   3           HD2      ILE   3 -10.603  -6.301  -9.465
   36   3HD1  ILE   3           HD3      ILE   3  -9.970  -5.077 -10.559
   37    H    CYS   4           HN       CYS   4 -14.510  -3.522  -5.492
   38    HA   CYS   4           HA       CYS   4 -13.700  -4.420  -2.947
   39   1HB   CYS   4           HB1      CYS   4 -16.402  -4.484  -4.303
   40   2HB   CYS   4           HB2      CYS   4 -15.817  -3.287  -3.183
   41    H    GLU   5           HN       GLU   5 -12.985  -6.301  -2.348
   42    HA   GLU   5           HA       GLU   5 -13.082  -8.640  -3.948
   43   1HB   GLU   5           HB1      GLU   5 -12.445  -9.734  -1.636
   44   2HB   GLU   5           HB2      GLU   5 -12.419  -8.076  -1.047
   45   1HG   GLU   5           HG1      GLU   5 -10.175  -8.575  -1.759
   46   2HG   GLU   5           HG2      GLU   5 -10.867  -7.536  -3.004
   47    H    GLU   6           HN       GLU   6 -15.425  -7.331  -1.798
   48    HA   GLU   6           HA       GLU   6 -16.715  -9.925  -1.403
   49   1HB   GLU   6           HB1      GLU   6 -17.753  -7.167  -0.627
   50   2HB   GLU   6           HB2      GLU   6 -16.649  -8.089   0.382
   51   1HG   GLU   6           HG1      GLU   6 -18.428  -9.191   1.248
   52   2HG   GLU   6           HG2      GLU   6 -18.766  -9.855  -0.348
   53    H    CYS   7           HN       CYS   7 -18.011  -6.784  -2.499
   54    HA   CYS   7           HA       CYS   7 -20.130  -8.123  -3.975
   55   1HB   CYS   7           HB1      CYS   7 -20.837  -5.932  -4.597
   56   2HB   CYS   7           HB2      CYS   7 -19.239  -5.270  -4.418
   57    H    GLY   8           HN       GLY   8 -17.243  -6.279  -4.901
   58   1HA   GLY   8           HA1      GLY   8 -17.301  -7.688  -7.534
   59   2HA   GLY   8           HA2      GLY   8 -15.846  -7.061  -6.771
   60    H    ILE   9           HN       ILE   9 -17.684  -4.654  -6.021
   61    HA   ILE   9           HA       ILE   9 -18.436  -3.350  -8.409
   62    HB   ILE   9           HB       ILE   9 -18.903  -2.702  -5.919
   63   1HG1  ILE   9          HG11      ILE   9 -18.450  -0.941  -8.273
   64   2HG1  ILE   9          HG12      ILE   9 -18.632  -0.131  -6.721
   65   1HG2  ILE   9          HG21      ILE   9 -16.325  -2.509  -5.501
   66   2HG2  ILE   9          HG22      ILE   9 -17.322  -1.212  -4.870
   67   3HG2  ILE   9          HG23      ILE   9 -16.418  -0.977  -6.358
   68   1HD1  ILE   9           HD1      ILE   9 -20.798  -0.602  -8.043
   69   2HD1  ILE   9           HD2      ILE   9 -20.782  -1.094  -6.352
   70   3HD1  ILE   9           HD3      ILE   9 -20.549  -2.294  -7.620
   71    NH1  ARG  10           NH1      ARG  10 -14.132  -6.133 -13.310
   72    NH2  ARG  10           NH2      ARG  10 -14.613  -5.548 -15.467
   73    H    ARG  10           HN       ARG  10 -17.289  -2.508 -10.012
   74    HA   ARG  10           HA       ARG  10 -14.350  -2.243  -9.642
   75   1HB   ARG  10           HB1      ARG  10 -16.052  -2.186 -12.180
   76   2HB   ARG  10           HB2      ARG  10 -15.268  -3.625 -11.542
   77   1HG   ARG  10           HG1      ARG  10 -13.174  -1.837 -11.604
   78   2HG   ARG  10           HG2      ARG  10 -14.103  -1.343 -13.013
   79   1HD   ARG  10           HD1      ARG  10 -12.959  -4.084 -12.416
   80   2HD   ARG  10           HD2      ARG  10 -12.611  -3.044 -13.797
   81    HE   ARG  10           HE       ARG  10 -15.294  -3.459 -14.082
   82   1HH1  ARG  10          HH11      ARG  10 -13.985  -5.856 -12.361
   83   2HH1  ARG  10          HH12      ARG  10 -14.063  -7.097 -13.568
   84   1HH2  ARG  10          HH21      ARG  10 -14.827  -4.832 -16.131
   85   2HH2  ARG  10          HH22      ARG  10 -14.552  -6.501 -15.759
   86    H    ABA  11           HN       ABU  11 -13.994  -0.247  -8.783
   87    HA   ABA  11           HA       ABU  11 -15.147   2.094 -10.270
   88   1HB   ABA  11           HB1      ABU  11 -14.789   3.358  -8.171
   89   2HB   ABA  11           HB2      ABU  11 -14.082   1.949  -7.413
   90   1HG   ABA  11           HG1      ABU  11 -16.357   1.971  -6.685
   91   2HG   ABA  11           HG2      ABU  11 -16.292   0.745  -7.946
   92   3HG   ABA  11           HG3      ABU  11 -16.946   2.339  -8.303
   93    H    LYS  12           HN       LYS  12 -13.689   2.721 -11.697
   94    HA   LYS  12           HA       LYS  12 -10.889   2.349 -11.495
   95   1HB   LYS  12           HB1      LYS  12 -10.908   4.235 -13.303
   96   2HB   LYS  12           HB2      LYS  12 -12.659   4.185 -13.140
   97   1HG   LYS  12           HG1      LYS  12 -12.398   2.598 -14.807
   98   2HG   LYS  12           HG2      LYS  12 -12.243   1.557 -13.397
   99   1HD   LYS  12           HD1      LYS  12 -10.324   0.951 -14.560
  100   2HD   LYS  12           HD2      LYS  12  -9.681   2.262 -13.579
  101   1HE   LYS  12           HE1      LYS  12 -10.352   3.809 -15.541
  102   2HE   LYS  12           HE2      LYS  12 -10.512   2.334 -16.485
  103   1HZ   LYS  12           HZ1      LYS  12  -8.349   2.470 -16.836
  104   2HZ   LYS  12           HZ2      LYS  12  -8.102   2.104 -15.196
  105   3HZ   LYS  12           HZ3      LYS  12  -8.162   3.723 -15.706
  106    H    LYS  13           HN       LYS  13 -12.514   4.108  -9.367
  107    HA   LYS  13           HA       LYS  13 -10.241   5.974  -9.045
  108   1HB   LYS  13           HB1      LYS  13 -12.103   7.713  -8.348
  109   2HB   LYS  13           HB2      LYS  13 -13.175   6.664  -9.277
  110   1HG   LYS  13           HG1      LYS  13 -11.656   6.884 -11.237
  111   2HG   LYS  13           HG2      LYS  13 -10.633   7.976 -10.309
  112   1HD   LYS  13           HD1      LYS  13 -12.502   9.552 -10.057
  113   2HD   LYS  13           HD2      LYS  13 -13.573   8.448 -10.913
  114   1HE   LYS  13           HE1      LYS  13 -12.122   8.610 -12.920
  115   2HE   LYS  13           HE2      LYS  13 -11.074   9.736 -12.063
  116   1HZ   LYS  13           HZ1      LYS  13 -13.813  10.135 -13.049
  117   2HZ   LYS  13           HZ2      LYS  13 -12.449  11.133 -13.218
  118   3HZ   LYS  13           HZ3      LYS  13 -13.257  11.045 -11.726
  119    HA   PRO  14           HA       PRO  14 -10.500   4.820  -4.774
  120   1HB   PRO  14           HB1      PRO  14  -8.703   6.057  -4.023
  121   2HB   PRO  14           HB2      PRO  14  -9.825   7.366  -3.649
  122   1HG   PRO  14           HG1      PRO  14  -7.800   7.433  -5.628
  123   2HG   PRO  14           HG2      PRO  14  -9.121   8.592  -5.462
  124   1HD   PRO  14           HD1      PRO  14  -9.917   7.829  -7.474
  125   2HD   PRO  14           HD2      PRO  14  -8.753   6.488  -7.464
  126    H    SER  15           HN       SER  15 -11.384   8.271  -4.743
  127    HA   SER  15           HA       SER  15 -13.197   8.464  -2.760
  128   1HB   SER  15           HB1      SER  15 -12.771  10.303  -4.424
  129   2HB   SER  15           HB2      SER  15 -14.517  10.076  -4.208
  130    HG   SER  15           HG1      SER  15 -13.050   9.726  -6.416
  131    H    MET  16           HN       MET  16 -14.017   7.062  -5.914
  132    HA   MET  16           HA       MET  16 -16.732   6.464  -5.190
  133   1HB   MET  16           HB1      MET  16 -16.377   4.727  -7.147
  134   2HB   MET  16           HB2      MET  16 -14.801   5.496  -7.316
  135   1HG   MET  16           HG1      MET  16 -16.238   6.661  -8.792
  136   2HG   MET  16           HG2      MET  16 -15.987   7.708  -7.421
  137   1HE   MET  16           HE1      MET  16 -18.188   7.298  -9.955
  138   2HE   MET  16           HE2      MET  16 -19.750   6.682  -9.416
  139   3HE   MET  16           HE3      MET  16 -18.362   5.599  -9.516
  140    H    LEU  17           HN       LEU  17 -13.772   4.458  -5.267
  141    HA   LEU  17           HA       LEU  17 -15.120   2.157  -4.158
  142   1HB   LEU  17           HB1      LEU  17 -12.139   2.719  -3.929
  143   2HB   LEU  17           HB2      LEU  17 -12.847   2.310  -5.474
  144    HG   LEU  17           HG       LEU  17 -11.879   0.321  -4.265
  145   1HD1  LEU  17          HD11      LEU  17 -14.201   0.576  -2.348
  146   2HD1  LEU  17          HD12      LEU  17 -12.600   1.200  -1.977
  147   3HD1  LEU  17          HD13      LEU  17 -12.832  -0.517  -2.263
  148   1HD2  LEU  17          HD21      LEU  17 -13.554  -1.172  -4.924
  149   2HD2  LEU  17          HD22      LEU  17 -13.957   0.254  -5.862
  150   3HD2  LEU  17          HD23      LEU  17 -14.861  -0.118  -4.408
  151    H    LYS  18           HN       LYS  18 -12.661   4.347  -2.798
  152    HA   LYS  18           HA       LYS  18 -12.482   3.660  -0.192
  153   1HB   LYS  18           HB1      LYS  18 -12.471   6.176   0.345
  154   2HB   LYS  18           HB2      LYS  18 -12.971   6.457  -1.318
  155   1HG   LYS  18           HG1      LYS  18 -10.958   5.443  -2.177
  156   2HG   LYS  18           HG2      LYS  18 -10.502   4.864  -0.580
  157   1HD   LYS  18           HD1      LYS  18 -10.407   7.272   0.182
  158   2HD   LYS  18           HD2      LYS  18 -10.654   7.753  -1.493
  159   1HE   LYS  18           HE1      LYS  18  -8.397   7.630  -1.699
  160   2HE   LYS  18           HE2      LYS  18  -8.609   5.885  -1.677
  161   1HZ   LYS  18           HZ1      LYS  18  -8.660   6.874   0.957
  162   2HZ   LYS  18           HZ2      LYS  18  -7.270   7.452   0.171
  163   3HZ   LYS  18           HZ3      LYS  18  -7.569   5.782   0.247
  164    H    LYS  19           HN       LYS  19 -15.241   5.440  -1.537
  165    HA   LYS  19           HA       LYS  19 -16.606   5.553   0.993
  166   1HB   LYS  19           HB1      LYS  19 -17.867   5.725  -1.776
  167   2HB   LYS  19           HB2      LYS  19 -16.975   7.070  -1.074
  168   1HG   LYS  19           HG1      LYS  19 -18.508   6.929   0.935
  169   2HG   LYS  19           HG2      LYS  19 -19.465   5.748   0.049
  170   1HD   LYS  19           HD1      LYS  19 -18.872   8.584  -0.866
  171   2HD   LYS  19           HD2      LYS  19 -20.407   8.020  -0.218
  172   1HE   LYS  19           HE1      LYS  19 -20.146   6.196  -2.148
  173   2HE   LYS  19           HE2      LYS  19 -19.145   7.447  -2.872
  174   1HZ   LYS  19           HZ1      LYS  19 -22.007   7.540  -2.191
  175   2HZ   LYS  19           HZ2      LYS  19 -21.243   7.916  -3.659
  176   3HZ   LYS  19           HZ3      LYS  19 -21.111   8.974  -2.337
  177    H    HIS  20           HN       HIS  20 -16.825   3.515  -1.877
  178    HA   HIS  20           HA       HIS  20 -19.058   1.958  -1.118
  179   1HB   HIS  20           HB1      HIS  20 -16.548   1.157  -2.659
  180   2HB   HIS  20           HB2      HIS  20 -18.015   1.820  -3.377
  181    HD1  HIS  20           HD1      HIS  20 -19.614   0.022  -4.035
  182    HD2  HIS  20           HD2      HIS  20 -16.992  -1.360  -1.255
  183    HE1  HIS  20           HE1      HIS  20 -20.159  -2.347  -3.746
  184    H    ILE  21           HN       ILE  21 -15.595   1.229  -0.694
  185    HA   ILE  21           HA       ILE  21 -15.995  -1.129   0.820
  186    HB   ILE  21           HB       ILE  21 -13.797  -0.456  -0.130
  187   1HG1  ILE  21          HG11      ILE  21 -14.081  -1.178   2.750
  188   2HG1  ILE  21          HG12      ILE  21 -12.493  -0.639   2.235
  189   1HG2  ILE  21          HG21      ILE  21 -12.487   1.336   1.004
  190   2HG2  ILE  21          HG22      ILE  21 -13.833   1.643   2.095
  191   3HG2  ILE  21          HG23      ILE  21 -13.998   1.967   0.376
  192   1HD1  ILE  21           HD1      ILE  21 -13.006  -3.155   2.008
  193   2HD1  ILE  21           HD2      ILE  21 -12.326  -2.351   0.597
  194   3HD1  ILE  21           HD3      ILE  21 -14.050  -2.697   0.666
  195    NH1  ARG  22           NH1      ARG  22 -15.902   7.990   3.717
  196    NH2  ARG  22           NH2      ARG  22 -14.597   7.960   1.841
  197    H    ARG  22           HN       ARG  22 -16.038   2.254   1.785
  198    HA   ARG  22           HA       ARG  22 -16.044   1.650   4.639
  199   1HB   ARG  22           HB1      ARG  22 -17.016   4.104   4.665
  200   2HB   ARG  22           HB2      ARG  22 -16.668   4.091   2.940
  201   1HG   ARG  22           HG1      ARG  22 -14.313   3.520   3.411
  202   2HG   ARG  22           HG2      ARG  22 -14.655   3.501   5.136
  203   1HD   ARG  22           HD1      ARG  22 -13.670   5.670   4.465
  204   2HD   ARG  22           HD2      ARG  22 -15.328   5.889   5.021
  205    HE   ARG  22           HE       ARG  22 -15.216   5.480   2.155
  206   1HH1  ARG  22          HH11      ARG  22 -16.343   7.489   4.462
  207   2HH1  ARG  22          HH12      ARG  22 -16.006   8.982   3.653
  208   1HH2  ARG  22          HH21      ARG  22 -14.060   7.437   1.180
  209   2HH2  ARG  22          HH22      ARG  22 -14.680   8.952   1.745
  210    H    THR  23           HN       THR  23 -18.415   1.498   2.176
  211    HA   THR  23           HA       THR  23 -20.668   2.026   3.922
  212    HB   THR  23           HB       THR  23 -20.707   0.409   1.301
  213    HG1  THR  23           HG1      THR  23 -19.821   2.217   0.632
  214   1HG2  THR  23          HG21      THR  23 -22.712   1.979   2.970
  215   2HG2  THR  23          HG22      THR  23 -22.989   0.537   2.005
  216   3HG2  THR  23          HG23      THR  23 -22.845   2.107   1.221
  217    H    HIS  24           HN       HIS  24 -18.664  -0.733   3.323
  218    HA   HIS  24           HA       HIS  24 -20.635  -2.709   4.172
  219   1HB   HIS  24           HB1      HIS  24 -18.416  -4.075   4.591
  220   2HB   HIS  24           HB2      HIS  24 -17.604  -2.696   3.859
  221    HD1  HIS  24           HD1      HIS  24 -20.374  -5.063   2.923
  222    HD2  HIS  24           HD2      HIS  24 -17.526  -2.767   1.136
  223    HE1  HIS  24           HE1      HIS  24 -20.510  -5.586   0.510
  224    H    THR  25           HN       THR  25 -19.478  -0.212   5.804
  225    HA   THR  25           HA       THR  25 -18.810  -1.626   8.307
  226    HB   THR  25           HB       THR  25 -18.429   0.773   9.092
  227    HG1  THR  25           HG1      THR  25 -19.656   1.101   6.604
  228   1HG2  THR  25          HG21      THR  25 -16.702   1.426   7.373
  229   2HG2  THR  25          HG22      THR  25 -17.351   0.207   6.282
  230   3HG2  THR  25          HG23      THR  25 -16.550  -0.283   7.771
  231    H    ASP  26           HN       ASP  26 -20.271   1.273   8.883
  232    HA   ASP  26           HA       ASP  26 -23.005   0.217   9.141
  233   1HB   ASP  26           HB1      ASP  26 -22.960   1.065  11.613
  234   2HB   ASP  26           HB2      ASP  26 -21.204   1.030  11.468
  235    H    VAL  27           HN       VAL  27 -21.568   2.196   7.650
  236    HA   VAL  27           HA       VAL  27 -22.488   4.765   8.771
  237    HB   VAL  27           HB       VAL  27 -20.269   4.646   7.706
  238   1HG1  VAL  27          HG11      VAL  27 -20.804   2.748   6.181
  239   2HG1  VAL  27          HG12      VAL  27 -20.011   4.069   5.342
  240   3HG1  VAL  27          HG13      VAL  27 -21.747   3.837   5.183
  241   1HG2  VAL  27          HG21      VAL  27 -21.547   6.134   5.534
  242   2HG2  VAL  27          HG22      VAL  27 -20.511   6.723   6.829
  243   3HG2  VAL  27          HG23      VAL  27 -22.239   6.528   7.104
  244    NH1  ARG  28           NH1      ARG  28 -24.739  -2.348   5.149
  245    NH2  ARG  28           NH2      ARG  28 -24.481  -2.140   2.887
  246    H    ARG  28           HN       ARG  28 -24.611   3.155   8.273
  247    HA   ARG  28           HA       ARG  28 -25.855   4.280   5.792
  248   1HB   ARG  28           HB1      ARG  28 -27.463   2.277   6.181
  249   2HB   ARG  28           HB2      ARG  28 -26.275   1.702   7.345
  250   1HG   ARG  28           HG1      ARG  28 -24.580   2.088   5.362
  251   2HG   ARG  28           HG2      ARG  28 -26.022   1.978   4.364
  252   1HD   ARG  28           HD1      ARG  28 -26.531  -0.177   5.757
  253   2HD   ARG  28           HD2      ARG  28 -24.818  -0.116   6.164
  254    HE   ARG  28           HE       ARG  28 -25.318   0.122   3.299
  255   1HH1  ARG  28          HH11      ARG  28 -25.000  -1.938   6.022
  256   2HH1  ARG  28          HH12      ARG  28 -24.423  -3.297   5.116
  257   1HH2  ARG  28          HH21      ARG  28 -24.549  -1.573   2.066
  258   2HH2  ARG  28          HH22      ARG  28 -24.161  -3.085   2.818
  259    HA   PRO  29           HA       PRO  29 -27.963   6.208   9.474
  260   1HB   PRO  29           HB1      PRO  29 -27.518   8.433   9.154
  261   2HB   PRO  29           HB2      PRO  29 -28.614   8.469   7.772
  262   1HG   PRO  29           HG1      PRO  29 -25.708   8.504   7.750
  263   2HG   PRO  29           HG2      PRO  29 -26.805   8.625   6.373
  264   1HD   PRO  29           HD1      PRO  29 -26.359   6.476   5.780
  265   2HD   PRO  29           HD2      PRO  29 -25.168   6.390   7.085
  266    OH   TYR  30           OH       TYR  30 -29.635  10.555   3.005
  267    H    TYR  30           HN       TYR  30 -28.952   5.425   6.275
  268    HA   TYR  30           HA       TYR  30 -31.765   6.140   6.798
  269   1HB   TYR  30           HB1      TYR  30 -32.124   5.157   4.508
  270   2HB   TYR  30           HB2      TYR  30 -30.441   4.652   4.476
  271    HD1  TYR  30           HD1      TYR  30 -32.478   7.733   5.112
  272    HD2  TYR  30           HD2      TYR  30 -28.891   6.117   3.496
  273    HE1  TYR  30           HE1      TYR  30 -31.834   9.960   4.316
  274    HE2  TYR  30           HE2      TYR  30 -28.247   8.344   2.703
  275    HH   TYR  30           HH       TYR  30 -29.176  11.004   3.718
  276    H    HIS  31           HN       HIS  31 -32.189   4.812   8.613
  277    HA   HIS  31           HA       HIS  31 -32.166   1.870   8.115
  278   1HB   HIS  31           HB1      HIS  31 -32.427   1.660  10.553
  279   2HB   HIS  31           HB2      HIS  31 -32.725   3.390  10.705
  280    HD1  HIS  31           HD1      HIS  31 -29.991   1.035  10.118
  281    HD2  HIS  31           HD2      HIS  31 -30.451   5.038  10.575
  282    HE1  HIS  31           HE1      HIS  31 -27.739   1.892  10.402
  283    H    CYS  32           HN       CYS  32 -34.028   0.812   7.703
  284    HA   CYS  32           HA       CYS  32 -36.478   2.144   7.286
  285   1HB   CYS  32           HB1      CYS  32 -35.753  -0.739   7.897
  286   2HB   CYS  32           HB2      CYS  32 -36.286  -0.059   6.381
  287    H    THR  33           HN       THR  33 -38.345   2.383   8.551
  288    HA   THR  33           HA       THR  33 -37.800   2.665  11.406
  289    HB   THR  33           HB       THR  33 -40.565   2.923  10.130
  290    HG1  THR  33           HG1      THR  33 -39.653   5.134   9.749
  291   1HG2  THR  33          HG21      THR  33 -40.228   3.430  12.609
  292   2HG2  THR  33          HG22      THR  33 -40.647   4.879  11.698
  293   3HG2  THR  33          HG23      THR  33 -38.974   4.585  12.165
  294    OH   TYR  34           OH       TYR  34 -44.512   2.101   9.671
  295    H    TYR  34           HN       TYR  34 -38.144  -0.030   9.861
  296    HA   TYR  34           HA       TYR  34 -39.701  -1.304  12.057
  297   1HB   TYR  34           HB1      TYR  34 -40.863  -2.764  10.421
  298   2HB   TYR  34           HB2      TYR  34 -40.003  -2.002   9.091
  299    HD1  TYR  34           HD2      TYR  34 -40.392   0.509   8.696
  300    HD2  TYR  34           HD1      TYR  34 -42.875  -1.814  11.250
  301    HE1  TYR  34           HE2      TYR  34 -42.159   2.195   8.511
  302    HE2  TYR  34           HE1      TYR  34 -44.644  -0.125  11.060
  303    HH   TYR  34           HH       TYR  34 -45.346   1.685   9.901
  304    H    CYS  35           HN       CYS  35 -38.085  -2.314   9.060
  305    HA   CYS  35           HA       CYS  35 -36.942  -4.665  10.270
  306   1HB   CYS  35           HB1      CYS  35 -35.768  -4.908   8.168
  307   2HB   CYS  35           HB2      CYS  35 -35.916  -3.211   7.813
  308    H    ASN  36           HN       ASN  36 -34.475  -4.989   9.914
  309    HA   ASN  36           HA       ASN  36 -33.120  -2.786  11.406
  310   1HB   ASN  36           HB1      ASN  36 -32.168  -5.664  11.019
  311   2HB   ASN  36           HB2      ASN  36 -33.223  -5.193  12.348
  312   1HD2  ASN  36          HD21      ASN  36 -32.310  -3.960  14.083
  313   2HD2  ASN  36          HD22      ASN  36 -30.647  -3.634  14.200
  314    H    PHE  37           HN       PHE  37 -33.576  -3.502   8.369
  315    HA   PHE  37           HA       PHE  37 -30.797  -3.593   7.424
  316   1HB   PHE  37           HB1      PHE  37 -33.124  -2.972   5.617
  317   2HB   PHE  37           HB2      PHE  37 -33.084  -4.566   6.364
  318    HD1  PHE  37           HD2      PHE  37 -30.703  -5.774   6.245
  319    HD2  PHE  37           HD1      PHE  37 -31.972  -2.685   3.606
  320    HE1  PHE  37           HE2      PHE  37 -29.050  -6.510   4.585
  321    HE2  PHE  37           HE1      PHE  37 -30.319  -3.426   1.947
  322    HZ   PHE  37           HZ       PHE  37 -28.857  -5.337   2.436
  323    H    SER  38           HN       SER  38 -29.683  -1.911   6.515
  324    HA   SER  38           HA       SER  38 -31.073   0.721   6.438
  325   1HB   SER  38           HB1      SER  38 -28.203   0.416   7.388
  326   2HB   SER  38           HB2      SER  38 -29.553   0.314   8.523
  327    HG   SER  38           HG1      SER  38 -30.301   2.309   7.672
  328    H    PHE  39           HN       PHE  39 -30.256   2.224   5.000
  329    HA   PHE  39           HA       PHE  39 -28.467   1.068   2.904
  330   1HB   PHE  39           HB1      PHE  39 -29.815   2.182   1.263
  331   2HB   PHE  39           HB2      PHE  39 -30.557   3.229   2.470
  332    HD1  PHE  39           HD2      PHE  39 -32.189   2.261   4.111
  333    HD2  PHE  39           HD1      PHE  39 -30.662  -0.058   0.882
  334    HE1  PHE  39           HE2      PHE  39 -33.992   0.626   4.430
  335    HE2  PHE  39           HE1      PHE  39 -32.489  -1.673   1.188
  336    HZ   PHE  39           HZ       PHE  39 -34.159  -1.325   2.955
  337    H    LYS  40           HN       LYS  40 -27.212   2.622   1.708
  338    HA   LYS  40           HA       LYS  40 -26.124   4.688   3.503
  339   1HB   LYS  40           HB1      LYS  40 -25.289   3.562   0.794
  340   2HB   LYS  40           HB2      LYS  40 -24.576   3.187   2.342
  341   1HG   LYS  40           HG1      LYS  40 -24.475   5.881   0.940
  342   2HG   LYS  40           HG2      LYS  40 -23.136   4.767   1.150
  343   1HD   LYS  40           HD1      LYS  40 -23.639   4.956   3.681
  344   2HD   LYS  40           HD2      LYS  40 -24.553   6.395   3.253
  345   1HE   LYS  40           HE1      LYS  40 -21.603   5.879   2.996
  346   2HE   LYS  40           HE2      LYS  40 -22.426   7.290   3.645
  347   1HZ   LYS  40           HZ1      LYS  40 -21.790   8.095   1.645
  348   2HZ   LYS  40           HZ2      LYS  40 -23.288   7.439   1.188
  349   3HZ   LYS  40           HZ3      LYS  40 -21.855   6.585   0.871
  350    H    THR  41           HN       THR  41 -28.287   4.459   0.892
  351    HA   THR  41           HA       THR  41 -28.163   7.428   0.549
  352    HB   THR  41           HB       THR  41 -28.392   7.172  -1.844
  353    HG1  THR  41           HG1      THR  41 -30.041   5.687  -1.813
  354   1HG2  THR  41          HG21      THR  41 -26.560   5.713  -2.465
  355   2HG2  THR  41          HG22      THR  41 -26.939   4.562  -1.188
  356   3HG2  THR  41          HG23      THR  41 -26.170   6.096  -0.791
  357    H    LYS  42           HN       LYS  42 -30.133   8.414  -0.113
  358    HA   LYS  42           HA       LYS  42 -32.409   7.290   1.254
  359   1HB   LYS  42           HB1      LYS  42 -32.096   9.740  -0.538
  360   2HB   LYS  42           HB2      LYS  42 -32.039   9.729   1.221
  361   1HG   LYS  42           HG1      LYS  42 -34.416   8.659   1.057
  362   2HG   LYS  42           HG2      LYS  42 -34.409   9.283  -0.589
  363   1HD   LYS  42           HD1      LYS  42 -33.641  11.524   0.552
  364   2HD   LYS  42           HD2      LYS  42 -34.317  10.802   2.007
  365   1HE   LYS  42           HE1      LYS  42 -36.353  10.278   0.350
  366   2HE   LYS  42           HE2      LYS  42 -35.701  11.676  -0.496
  367   1HZ   LYS  42           HZ1      LYS  42 -37.289  11.633   1.794
  368   2HZ   LYS  42           HZ2      LYS  42 -36.646  12.982   0.986
  369   3HZ   LYS  42           HZ3      LYS  42 -35.770  12.248   2.243
  370    H    GLY  43           HN       GLY  43 -31.154   6.999  -1.875
  371   1HA   GLY  43           HA1      GLY  43 -32.034   6.034  -3.831
  372   2HA   GLY  43           HA2      GLY  43 -33.575   6.767  -3.392
  373    H    ASN  44           HN       ASN  44 -31.461   4.117  -2.316
  374    HA   ASN  44           HA       ASN  44 -33.232   2.020  -2.782
  375   1HB   ASN  44           HB1      ASN  44 -31.970   0.947  -0.751
  376   2HB   ASN  44           HB2      ASN  44 -31.073   2.459  -0.692
  377   1HD2  ASN  44          HD21      ASN  44 -29.289   0.721  -1.257
  378   2HD2  ASN  44          HD22      ASN  44 -28.997   0.478  -2.912
  379    H    LEU  45           HN       LEU  45 -33.339   4.415  -0.289
  380    HA   LEU  45           HA       LEU  45 -34.969   2.981   1.583
  381   1HB   LEU  45           HB1      LEU  45 -35.183   5.971   1.064
  382   2HB   LEU  45           HB2      LEU  45 -33.715   5.315   1.765
  383    HG   LEU  45           HG       LEU  45 -35.299   6.111   3.509
  384   1HD1  LEU  45          HD11      LEU  45 -37.167   3.864   2.713
  385   2HD1  LEU  45          HD12      LEU  45 -37.347   5.485   2.061
  386   3HD1  LEU  45          HD13      LEU  45 -37.473   5.213   3.794
  387   1HD2  LEU  45          HD21      LEU  45 -33.817   3.844   3.574
  388   2HD2  LEU  45          HD22      LEU  45 -35.397   3.150   3.887
  389   3HD2  LEU  45          HD23      LEU  45 -34.762   4.401   4.946
  390    H    THR  46           HN       THR  46 -35.859   5.447  -0.829
  391    HA   THR  46           HA       THR  46 -38.644   5.216  -0.596
  392    HB   THR  46           HB       THR  46 -37.053   5.625  -3.203
  393    HG1  THR  46           HG1      THR  46 -37.984   7.431  -1.206
  394   1HG2  THR  46          HG21      THR  46 -39.053   7.221  -3.591
  395   2HG2  THR  46          HG22      THR  46 -39.825   6.481  -2.192
  396   3HG2  THR  46          HG23      THR  46 -39.494   5.517  -3.627
  397    H    LYS  47           HN       LYS  47 -36.340   3.157  -2.247
  398    HA   LYS  47           HA       LYS  47 -38.298   1.635  -3.719
  399   1HB   LYS  47           HB1      LYS  47 -35.515   0.844  -2.732
  400   2HB   LYS  47           HB2      LYS  47 -35.861   1.621  -4.271
  401   1HG   LYS  47           HG1      LYS  47 -37.456  -0.385  -4.688
  402   2HG   LYS  47           HG2      LYS  47 -36.595  -1.166  -3.367
  403   1HD   LYS  47           HD1      LYS  47 -34.445  -0.442  -4.682
  404   2HD   LYS  47           HD2      LYS  47 -35.541  -0.291  -6.049
  405   1HE   LYS  47           HE1      LYS  47 -34.589  -2.547  -6.017
  406   2HE   LYS  47           HE2      LYS  47 -36.308  -2.632  -5.655
  407   1HZ   LYS  47           HZ1      LYS  47 -34.193  -2.555  -3.581
  408   2HZ   LYS  47           HZ2      LYS  47 -34.877  -3.989  -4.182
  409   3HZ   LYS  47           HZ3      LYS  47 -35.847  -2.868  -3.355
  410    H    HIS  48           HN       HIS  48 -36.666   1.078  -0.600
  411    HA   HIS  48           HA       HIS  48 -38.027  -1.420  -0.117
  412   1HB   HIS  48           HB1      HIS  48 -36.729   0.562   1.827
  413   2HB   HIS  48           HB2      HIS  48 -35.941  -0.829   1.092
  414    HD1  HIS  48           HD1      HIS  48 -37.613  -3.073   1.622
  415    HD2  HIS  48           HD2      HIS  48 -37.528  -0.064   4.391
  416    HE1  HIS  48           HE1      HIS  48 -38.408  -4.083   3.702
  417    H    MET  49           HN       MET  49 -38.954   1.870   0.176
  418    HA   MET  49           HA       MET  49 -41.185   1.193   2.012
  419   1HB   MET  49           HB1      MET  49 -41.614   3.769   1.633
  420   2HB   MET  49           HB2      MET  49 -40.015   3.765   0.897
  421   1HG   MET  49           HG1      MET  49 -39.677   4.294   3.188
  422   2HG   MET  49           HG2      MET  49 -39.153   2.645   2.976
  423   1HE   MET  49           HE1      MET  49 -40.781   4.890   5.498
  424   2HE   MET  49           HE2      MET  49 -39.277   3.969   5.479
  425   3HE   MET  49           HE3      MET  49 -40.559   3.540   6.611
  426    H    LYS  50           HN       LYS  50 -40.551   1.988  -1.330
  427    HA   LYS  50           HA       LYS  50 -43.127   2.718  -2.196
  428   1HB   LYS  50           HB1      LYS  50 -41.162   0.889  -3.663
  429   2HB   LYS  50           HB2      LYS  50 -41.034   2.644  -3.627
  430   1HG   LYS  50           HG1      LYS  50 -43.357   2.767  -4.597
  431   2HG   LYS  50           HG2      LYS  50 -43.328   1.015  -4.770
  432   1HD   LYS  50           HD1      LYS  50 -41.475   1.112  -6.303
  433   2HD   LYS  50           HD2      LYS  50 -41.201   2.816  -5.962
  434   1HE   LYS  50           HE1      LYS  50 -43.496   3.302  -6.876
  435   2HE   LYS  50           HE2      LYS  50 -43.619   1.611  -7.346
  436   1HZ   LYS  50           HZ1      LYS  50 -42.240   1.897  -9.061
  437   2HZ   LYS  50           HZ2      LYS  50 -41.209   2.949  -8.215
  438   3HZ   LYS  50           HZ3      LYS  50 -42.642   3.541  -8.908
  439    H    SER  51           HN       SER  51 -41.754  -0.511  -1.732
  440    HA   SER  51           HA       SER  51 -44.011  -1.964  -2.699
  441   1HB   SER  51           HB1      SER  51 -42.047  -2.776  -0.484
  442   2HB   SER  51           HB2      SER  51 -41.741  -2.981  -2.220
  443    HG   SER  51           HG1      SER  51 -42.854  -4.756  -0.938
  444    H    LYS  52           HN       LYS  52 -45.663  -3.039  -1.526
  445    HA   LYS  52           HA       LYS  52 -46.798  -1.394   0.582
  446   1HB   LYS  52           HB1      LYS  52 -48.242  -2.561  -1.063
  447   2HB   LYS  52           HB2      LYS  52 -48.608  -3.149   0.555
  448   1HG   LYS  52           HG1      LYS  52 -47.218  -5.124   0.202
  449   2HG   LYS  52           HG2      LYS  52 -46.691  -4.514  -1.362
  450   1HD   LYS  52           HD1      LYS  52 -49.629  -4.669  -0.986
  451   2HD   LYS  52           HD2      LYS  52 -48.794  -6.218  -1.048
  452   1HE   LYS  52           HE1      LYS  52 -49.492  -5.448  -3.311
  453   2HE   LYS  52           HE2      LYS  52 -47.744  -5.596  -3.179
  454   1HZ   LYS  52           HZ1      LYS  52 -49.152  -3.038  -2.714
  455   2HZ   LYS  52           HZ2      LYS  52 -48.616  -3.516  -4.254
  456   3HZ   LYS  52           HZ3      LYS  52 -47.497  -3.291  -2.997
  457    H    ALA  53           HN       ALA  53 -44.217  -2.800   1.096
  458    HA   ALA  53           HA       ALA  53 -44.487  -4.996   2.827
  459   1HB   ALA  53           HB1      ALA  53 -42.277  -4.160   2.160
  460   2HB   ALA  53           HB2      ALA  53 -42.371  -4.068   3.915
  461   3HB   ALA  53           HB3      ALA  53 -42.576  -2.613   2.946
  462    H    HIS  54           HN       HIS  54 -43.466  -2.083   4.441
  463    HA   HIS  54           HA       HIS  54 -45.939  -2.039   6.060
  464   1HB   HIS  54           HB1      HIS  54 -44.745  -3.498   7.463
  465   2HB   HIS  54           HB2      HIS  54 -44.227  -1.947   8.112
  466    HD1  HIS  54           HD1      HIS  54 -42.896  -4.912   6.585
  467    HD2  HIS  54           HD2      HIS  54 -41.583  -1.069   7.057
  468    HE1  HIS  54           HE1      HIS  54 -40.467  -4.997   6.249
  469    H    SER  55           HN       SER  55 -46.208   0.024   5.091
  470    HA   SER  55           HA       SER  55 -44.693   2.115   6.544
  471   1HB   SER  55           HB1      SER  55 -45.107   2.300   3.517
  472   2HB   SER  55           HB2      SER  55 -43.608   1.675   4.230
  473    HG   SER  55           HG1      SER  55 -43.178   3.592   5.069
  474    H    LYS  56           HN       LYS  56 -46.901   2.016   7.537
  475    HA   LYS  56           HA       LYS  56 -49.128   3.048   5.960
  476   1HB   LYS  56           HB1      LYS  56 -50.212   3.198   8.282
  477   2HB   LYS  56           HB2      LYS  56 -48.694   2.605   8.950
  478   1HG   LYS  56           HG1      LYS  56 -48.992   0.708   7.128
  479   2HG   LYS  56           HG2      LYS  56 -50.686   1.177   7.213
  480   1HD   LYS  56           HD1      LYS  56 -50.651  -0.388   8.918
  481   2HD   LYS  56           HD2      LYS  56 -50.205   1.043   9.842
  482   1HE   LYS  56           HE1      LYS  56 -47.802   0.495   9.488
  483   2HE   LYS  56           HE2      LYS  56 -48.275  -0.961   8.624
  484   1HZ   LYS  56           HZ1      LYS  56 -47.722  -1.351  10.969
  485   2HZ   LYS  56           HZ2      LYS  56 -49.312  -1.808  10.586
  486   3HZ   LYS  56           HZ3      LYS  56 -49.023  -0.362  11.429
  487    H    LYS  57           HN       LYS  57 -48.234   4.406   9.071
  488    HA   LYS  57           HA       LYS  57 -48.956   7.035   8.413
  489   1HB   LYS  57           HB1      LYS  57 -47.114   7.509  10.324
  490   2HB   LYS  57           HB2      LYS  57 -47.196   5.759  10.498
  491   1HG   LYS  57           HG1      LYS  57 -49.575   7.645  10.594
  492   2HG   LYS  57           HG2      LYS  57 -48.823   6.886  11.992
  493   1HD   LYS  57           HD1      LYS  57 -49.292   4.641  10.900
  494   2HD   LYS  57           HD2      LYS  57 -50.247   5.503   9.700
  495   1HE   LYS  57           HE1      LYS  57 -51.660   4.645  11.561
  496   2HE   LYS  57           HE2      LYS  57 -51.702   6.401  11.464
  497   1HZ   LYS  57           HZ1      LYS  57 -49.697   5.136  13.185
  498   2HZ   LYS  57           HZ2      LYS  57 -51.307   5.202  13.721
  499   3HZ   LYS  57                 LYS  57 -50.477   6.636  13.351
   
  Start of MODEL          60
 Raw file had 499 H/Q atoms
  Start of MODEL   60
    1   1H    LYS   1           HT1      LYS   1  -8.467  -6.902  -7.535
    2   2H    LYS   1           HT2      LYS   1  -8.026  -7.044  -9.168
    3   3H    LYS   1           HT3      LYS   1  -9.631  -6.679  -8.752
    4    HA   LYS   1           HA       LYS   1  -7.349  -4.927  -8.052
    5   1HB   LYS   1           HB1      LYS   1  -7.702  -3.684 -10.051
    6   2HB   LYS   1           HB2      LYS   1  -9.298  -4.374 -10.315
    7   1HG   LYS   1           HG1      LYS   1  -7.622  -5.294 -11.907
    8   2HG   LYS   1           HG2      LYS   1  -8.291  -6.550 -10.874
    9   1HD   LYS   1           HD1      LYS   1  -6.326  -6.506  -9.444
   10   2HD   LYS   1           HD2      LYS   1  -5.696  -5.090 -10.279
   11   1HE   LYS   1           HE1      LYS   1  -6.270  -7.673 -11.743
   12   2HE   LYS   1           HE2      LYS   1  -4.722  -7.382 -10.960
   13   1HZ   LYS   1           HZ1      LYS   1  -5.668  -6.419 -13.438
   14   2HZ   LYS   1           HZ2      LYS   1  -4.116  -6.289 -12.760
   15   3HZ   LYS   1           HZ3      LYS   1  -5.291  -5.110 -12.423
   16    OH   TYR   2           OH       TYR   2  -7.003   0.702  -7.919
   17    H    TYR   2           HN       TYR   2 -10.770  -4.881  -9.065
   18    HA   TYR   2           HA       TYR   2 -11.417  -3.488  -6.530
   19   1HB   TYR   2           HB1      TYR   2 -12.639  -1.713  -7.792
   20   2HB   TYR   2           HB2      TYR   2 -12.096  -2.417  -9.311
   21    HD1  TYR   2           HD2      TYR   2 -10.864  -0.869  -6.150
   22    HD2  TYR   2           HD1      TYR   2  -9.940  -1.901 -10.172
   23    HE1  TYR   2           HE2      TYR   2  -8.778   0.414  -6.002
   24    HE2  TYR   2           HE1      TYR   2  -7.855  -0.622 -10.022
   25    HH   TYR   2           HH       TYR   2  -6.466   0.316  -7.222
   26    H    ILE   3           HN       ILE   3 -12.058  -6.087  -7.249
   27    HA   ILE   3           HA       ILE   3 -14.948  -5.929  -7.977
   28    HB   ILE   3           HB       ILE   3 -13.271  -8.456  -7.757
   29   1HG1  ILE   3          HG11      ILE   3 -13.162  -6.307  -9.795
   30   2HG1  ILE   3          HG12      ILE   3 -13.359  -7.933 -10.441
   31   1HG2  ILE   3          HG21      ILE   3 -15.821  -8.513  -7.982
   32   2HG2  ILE   3          HG22      ILE   3 -14.982  -9.316  -9.304
   33   3HG2  ILE   3          HG23      ILE   3 -15.648  -7.703  -9.536
   34   1HD1  ILE   3           HD1      ILE   3 -11.361  -8.706  -9.397
   35   2HD1  ILE   3           HD2      ILE   3 -11.281  -7.306  -8.333
   36   3HD1  ILE   3           HD3      ILE   3 -10.940  -7.125 -10.051
   37    H    CYS   4           HN       CYS   4 -16.007  -5.548  -6.061
   38    HA   CYS   4           HA       CYS   4 -15.283  -6.331  -3.503
   39   1HB   CYS   4           HB1      CYS   4 -17.961  -6.057  -4.840
   40   2HB   CYS   4           HB2      CYS   4 -17.234  -5.018  -3.650
   41    H    GLU   5           HN       GLU   5 -14.998  -8.179  -2.514
   42    HA   GLU   5           HA       GLU   5 -15.320 -10.680  -3.859
   43   1HB   GLU   5           HB1      GLU   5 -14.425 -11.647  -1.838
   44   2HB   GLU   5           HB2      GLU   5 -14.997 -10.301  -0.859
   45   1HG   GLU   5           HG1      GLU   5 -13.344  -8.834  -1.690
   46   2HG   GLU   5           HG2      GLU   5 -13.047  -9.829  -3.113
   47    H    GLU   6           HN       GLU   6 -17.533  -8.803  -2.060
   48    HA   GLU   6           HA       GLU   6 -19.158 -11.145  -1.353
   49   1HB   GLU   6           HB1      GLU   6 -19.864  -8.224  -0.904
   50   2HB   GLU   6           HB2      GLU   6 -18.790  -9.094   0.182
   51   1HG   GLU   6           HG1      GLU   6 -20.586 -10.817   0.502
   52   2HG   GLU   6           HG2      GLU   6 -21.660  -9.832  -0.489
   53    H    CYS   7           HN       CYS   7 -20.087  -7.998  -2.700
   54    HA   CYS   7           HA       CYS   7 -22.301  -9.203  -4.131
   55   1HB   CYS   7           HB1      CYS   7 -22.869  -7.011  -4.737
   56   2HB   CYS   7           HB2      CYS   7 -21.215  -6.485  -4.800
   57    H    GLY   8           HN       GLY   8 -19.104  -7.976  -5.056
   58   1HA   GLY   8           HA1      GLY   8 -19.429  -9.403  -7.647
   59   2HA   GLY   8           HA2      GLY   8 -17.895  -8.914  -6.945
   60    H    ILE   9           HN       ILE   9 -19.427  -6.249  -6.338
   61    HA   ILE   9           HA       ILE   9 -20.055  -5.024  -8.798
   62    HB   ILE   9           HB       ILE   9 -20.299  -4.174  -6.298
   63   1HG1  ILE   9          HG11      ILE   9 -19.863  -2.605  -8.810
   64   2HG1  ILE   9          HG12      ILE   9 -20.058  -1.727  -7.298
   65   1HG2  ILE   9          HG21      ILE   9 -17.735  -2.708  -7.121
   66   2HG2  ILE   9          HG22      ILE   9 -17.714  -4.099  -6.044
   67   3HG2  ILE   9          HG23      ILE   9 -18.556  -2.639  -5.575
   68   1HD1  ILE   9           HD1      ILE   9 -21.969  -3.952  -7.961
   69   2HD1  ILE   9           HD2      ILE   9 -22.189  -2.375  -8.714
   70   3HD1  ILE   9           HD3      ILE   9 -22.231  -2.528  -6.960
   71    NH1  ARG  10           NH2      ARG  10 -16.023  -5.452 -16.903
   72    NH2  ARG  10           NH1      ARG  10 -13.984  -6.483 -16.836
   73    H    ARG  10           HN       ARG  10 -18.856  -4.412 -10.478
   74    HA   ARG  10           HA       ARG  10 -15.895  -4.534 -10.175
   75   1HB   ARG  10           HB1      ARG  10 -17.538  -4.356 -12.741
   76   2HB   ARG  10           HB2      ARG  10 -17.136  -5.885 -11.972
   77   1HG   ARG  10           HG1      ARG  10 -14.679  -5.100 -12.070
   78   2HG   ARG  10           HG2      ARG  10 -15.244  -3.850 -13.172
   79   1HD   ARG  10           HD1      ARG  10 -16.443  -6.083 -14.231
   80   2HD   ARG  10           HD2      ARG  10 -14.930  -6.754 -13.624
   81    HE   ARG  10           HE       ARG  10 -14.077  -4.514 -14.958
   82   1HH1  ARG  10          HH21      ARG  10 -16.706  -4.876 -16.454
   83   2HH1  ARG  10          HH22      ARG  10 -16.195  -5.810 -17.821
   84   1HH2  ARG  10          HH11      ARG  10 -13.140  -6.680 -16.337
   85   2HH2  ARG  10          HH12      ARG  10 -14.123  -6.858 -17.752
   86    H    ABA  11           HN       ABU  11 -15.210  -2.577  -9.505
   87    HA   ABA  11           HA       ABU  11 -15.975  -0.216 -11.194
   88   1HB   ABA  11           HB1      ABU  11 -15.693   1.179  -9.185
   89   2HB   ABA  11           HB2      ABU  11 -15.158  -0.199  -8.252
   90   1HG   ABA  11           HG1      ABU  11 -17.491  -1.223  -8.916
   91   2HG   ABA  11           HG2      ABU  11 -17.926   0.451  -9.231
   92   3HG   ABA  11           HG3      ABU  11 -17.413  -0.037  -7.620
   93    H    LYS  12           HN       LYS  12 -14.234  -0.229 -12.545
   94    HA   LYS  12           HA       LYS  12 -11.575  -0.850 -11.903
   95   1HB   LYS  12           HB1      LYS  12 -11.004   0.473 -13.939
   96   2HB   LYS  12           HB2      LYS  12 -12.604   1.205 -13.911
   97   1HG   LYS  12           HG1      LYS  12 -13.676  -0.823 -14.461
   98   2HG   LYS  12           HG2      LYS  12 -12.297  -1.795 -13.960
   99   1HD   LYS  12           HD1      LYS  12 -11.035  -1.194 -15.881
  100   2HD   LYS  12           HD2      LYS  12 -12.089   0.165 -16.251
  101   1HE   LYS  12           HE1      LYS  12 -13.044  -2.711 -16.273
  102   2HE   LYS  12           HE2      LYS  12 -12.429  -1.900 -17.707
  103   1HZ   LYS  12           HZ1      LYS  12 -14.724  -0.982 -16.068
  104   2HZ   LYS  12           HZ2      LYS  12 -14.835  -1.781 -17.562
  105   3HZ   LYS  12           HZ3      LYS  12 -14.142  -0.233 -17.477
  106    H    LYS  13           HN       LYS  13 -13.380   1.833 -10.842
  107    HA   LYS  13           HA       LYS  13 -10.915   3.420 -10.380
  108   1HB   LYS  13           HB1      LYS  13 -12.537   5.258  -9.799
  109   2HB   LYS  13           HB2      LYS  13 -13.861   4.136 -10.090
  110   1HG   LYS  13           HG1      LYS  13 -12.898   3.782 -12.422
  111   2HG   LYS  13           HG2      LYS  13 -11.819   5.133 -12.097
  112   1HD   LYS  13           HD1      LYS  13 -14.854   5.229 -12.014
  113   2HD   LYS  13           HD2      LYS  13 -13.840   5.908 -13.282
  114   1HE   LYS  13           HE1      LYS  13 -14.148   7.791 -11.956
  115   2HE   LYS  13           HE2      LYS  13 -12.680   7.143 -11.235
  116   1HZ   LYS  13           HZ1      LYS  13 -14.690   5.840  -9.940
  117   2HZ   LYS  13           HZ2      LYS  13 -15.283   7.423 -10.106
  118   3HZ   LYS  13           HZ3      LYS  13 -13.793   7.152  -9.339
  119    HA   PRO  14           HA       PRO  14 -10.894   2.193  -6.079
  120   1HB   PRO  14           HB1      PRO  14  -8.890   3.171  -5.490
  121   2HB   PRO  14           HB2      PRO  14  -9.775   4.645  -5.091
  122   1HG   PRO  14           HG1      PRO  14  -7.925   4.327  -7.225
  123   2HG   PRO  14           HG2      PRO  14  -9.014   5.696  -6.987
  124   1HD   PRO  14           HD1      PRO  14 -10.112   5.044  -8.891
  125   2HD   PRO  14           HD2      PRO  14  -9.177   3.537  -8.953
  126    H    SER  15           HN       SER  15 -11.316   5.734  -6.130
  127    HA   SER  15           HA       SER  15 -12.898   6.204  -3.981
  128   1HB   SER  15           HB1      SER  15 -12.384   7.976  -5.657
  129   2HB   SER  15           HB2      SER  15 -14.139   7.937  -5.404
  130    HG   SER  15           HG1      SER  15 -13.409   6.067  -7.187
  131    H    MET  16           HN       MET  16 -14.094   4.768  -6.992
  132    HA   MET  16           HA       MET  16 -16.830   4.617  -6.089
  133   1HB   MET  16           HB1      MET  16 -16.866   2.764  -7.957
  134   2HB   MET  16           HB2      MET  16 -15.206   3.263  -8.270
  135   1HG   MET  16           HG1      MET  16 -15.966   5.586  -8.563
  136   2HG   MET  16           HG2      MET  16 -17.609   5.095  -8.247
  137   1HE   MET  16           HE1      MET  16 -17.899   6.719 -10.226
  138   2HE   MET  16           HE2      MET  16 -19.132   5.460 -10.164
  139   3HE   MET  16           HE3      MET  16 -18.428   5.931 -11.712
  140    H    LEU  17           HN       LEU  17 -14.263   2.133  -6.364
  141    HA   LEU  17           HA       LEU  17 -15.824   0.144  -5.005
  142   1HB   LEU  17           HB1      LEU  17 -12.790   0.231  -5.017
  143   2HB   LEU  17           HB2      LEU  17 -13.661  -0.102  -6.492
  144    HG   LEU  17           HG       LEU  17 -12.949  -2.188  -5.279
  145   1HD1  LEU  17          HD11      LEU  17 -13.851  -2.790  -3.170
  146   2HD1  LEU  17          HD12      LEU  17 -15.033  -1.493  -3.203
  147   3HD1  LEU  17          HD13      LEU  17 -13.329  -1.123  -2.981
  148   1HD2  LEU  17          HD21      LEU  17 -14.883  -3.390  -5.780
  149   2HD2  LEU  17          HD22      LEU  17 -15.150  -1.921  -6.702
  150   3HD2  LEU  17          HD23      LEU  17 -15.960  -2.148  -5.164
  151    H    LYS  18           HN       LYS  18 -12.975   1.987  -3.968
  152    HA   LYS  18           HA       LYS  18 -12.680   1.395  -1.353
  153   1HB   LYS  18           HB1      LYS  18 -12.978   4.277  -2.324
  154   2HB   LYS  18           HB2      LYS  18 -11.545   3.302  -2.621
  155   1HG   LYS  18           HG1      LYS  18 -12.661   3.931   0.140
  156   2HG   LYS  18           HG2      LYS  18 -11.323   4.790  -0.606
  157   1HD   LYS  18           HD1      LYS  18 -10.524   2.164  -0.888
  158   2HD   LYS  18           HD2      LYS  18 -11.368   2.122   0.655
  159   1HE   LYS  18           HE1      LYS  18 -10.023   4.210   1.283
  160   2HE   LYS  18           HE2      LYS  18  -9.042   3.888  -0.141
  161   1HZ   LYS  18           HZ1      LYS  18  -9.109   2.525   2.398
  162   2HZ   LYS  18           HZ2      LYS  18  -7.860   2.634   1.253
  163   3HZ   LYS  18           HZ3      LYS  18  -9.096   1.487   1.054
  164    H    LYS  19           HN       LYS  19 -15.228   3.559  -2.560
  165    HA   LYS  19           HA       LYS  19 -16.371   3.916   0.056
  166   1HB   LYS  19           HB1      LYS  19 -17.837   4.228  -2.594
  167   2HB   LYS  19           HB2      LYS  19 -16.652   5.414  -2.060
  168   1HG   LYS  19           HG1      LYS  19 -17.956   6.100  -0.246
  169   2HG   LYS  19           HG2      LYS  19 -18.823   4.572  -0.162
  170   1HD   LYS  19           HD1      LYS  19 -20.280   6.351  -1.068
  171   2HD   LYS  19           HD2      LYS  19 -19.985   5.113  -2.282
  172   1HE   LYS  19           HE1      LYS  19 -18.546   6.481  -3.519
  173   2HE   LYS  19           HE2      LYS  19 -18.141   7.482  -2.131
  174   1HZ   LYS  19           HZ1      LYS  19 -20.674   8.052  -2.263
  175   2HZ   LYS  19           HZ2      LYS  19 -20.477   7.594  -3.887
  176   3HZ   LYS  19           HZ3      LYS  19 -19.543   8.857  -3.242
  177    H    HIS  20           HN       HIS  20 -17.059   1.842  -2.712
  178    HA   HIS  20           HA       HIS  20 -19.464   0.679  -1.787
  179   1HB   HIS  20           HB1      HIS  20 -17.202  -0.604  -3.366
  180   2HB   HIS  20           HB2      HIS  20 -18.543   0.290  -4.077
  181    HD1  HIS  20           HD1      HIS  20 -20.501  -1.196  -4.559
  182    HD2  HIS  20           HD2      HIS  20 -18.012  -2.938  -1.848
  183    HE1  HIS  20           HE1      HIS  20 -21.423  -3.432  -4.172
  184    H    ILE  21           HN       ILE  21 -16.115  -0.493  -1.413
  185    HA   ILE  21           HA       ILE  21 -16.836  -2.718   0.202
  186    HB   ILE  21           HB       ILE  21 -14.521  -2.024  -0.932
  187   1HG1  ILE  21          HG11      ILE  21 -15.061  -3.651   1.538
  188   2HG1  ILE  21          HG12      ILE  21 -13.408  -3.487   0.959
  189   1HG2  ILE  21          HG21      ILE  21 -12.940  -1.033   0.584
  190   2HG2  ILE  21          HG22      ILE  21 -13.981  -1.287   1.979
  191   3HG2  ILE  21          HG23      ILE  21 -14.378  -0.059   0.792
  192   1HD1  ILE  21           HD1      ILE  21 -15.492  -4.138  -1.076
  193   2HD1  ILE  21           HD2      ILE  21 -15.050  -5.415   0.052
  194   3HD1  ILE  21           HD3      ILE  21 -13.821  -4.679  -0.972
  195    NH1  ARG  22           NH2      ARG  22 -13.494   5.973   5.061
  196    NH2  ARG  22           NH1      ARG  22 -15.661   6.546   4.617
  197    H    ARG  22           HN       ARG  22 -16.327   0.652   1.002
  198    HA   ARG  22           HA       ARG  22 -16.210   0.174   3.877
  199   1HB   ARG  22           HB1      ARG  22 -16.839   2.737   3.843
  200   2HB   ARG  22           HB2      ARG  22 -16.633   2.608   2.100
  201   1HG   ARG  22           HG1      ARG  22 -14.339   1.782   2.405
  202   2HG   ARG  22           HG2      ARG  22 -14.541   1.814   4.153
  203   1HD   ARG  22           HD1      ARG  22 -14.801   4.258   2.366
  204   2HD   ARG  22           HD2      ARG  22 -13.345   3.842   3.267
  205    HE   ARG  22           HE       ARG  22 -15.569   3.895   5.068
  206   1HH1  ARG  22          HH21      ARG  22 -12.793   5.265   5.127
  207   2HH1  ARG  22          HH22      ARG  22 -13.263   6.926   5.259
  208   1HH2  ARG  22          HH11      ARG  22 -16.584   6.266   4.352
  209   2HH2  ARG  22          HH12      ARG  22 -15.466   7.509   4.808
  210    H    THR  23           HN       THR  23 -18.719   0.276   1.553
  211    HA   THR  23           HA       THR  23 -20.783   1.137   3.406
  212    HB   THR  23           HB       THR  23 -21.327  -0.537   0.901
  213    HG1  THR  23           HG1      THR  23 -19.792   0.943   0.282
  214   1HG2  THR  23          HG21      THR  23 -22.536   1.998   2.154
  215   2HG2  THR  23          HG22      THR  23 -23.276   0.404   2.226
  216   3HG2  THR  23          HG23      THR  23 -23.131   1.238   0.682
  217    H    HIS  24           HN       HIS  24 -19.162  -1.841   2.800
  218    HA   HIS  24           HA       HIS  24 -21.326  -3.543   3.792
  219   1HB   HIS  24           HB1      HIS  24 -19.241  -5.169   4.069
  220   2HB   HIS  24           HB2      HIS  24 -18.366  -3.919   3.194
  221    HD1  HIS  24           HD1      HIS  24 -21.420  -6.047   2.661
  222    HD2  HIS  24           HD2      HIS  24 -18.644  -4.021   0.482
  223    HE1  HIS  24           HE1      HIS  24 -21.852  -6.643   0.297
  224    H    THR  25           HN       THR  25 -19.757  -1.207   5.303
  225    HA   THR  25           HA       THR  25 -19.028  -2.688   7.752
  226    HB   THR  25           HB       THR  25 -18.399  -0.306   8.495
  227    HG1  THR  25           HG1      THR  25 -19.962   0.076   6.320
  228   1HG2  THR  25          HG21      THR  25 -16.736  -1.661   7.094
  229   2HG2  THR  25          HG22      THR  25 -16.628   0.070   6.785
  230   3HG2  THR  25          HG23      THR  25 -17.481  -0.975   5.653
  231    H    ASP  26           HN       ASP  26 -20.194   0.373   8.329
  232    HA   ASP  26           HA       ASP  26 -22.965  -0.419   8.853
  233   1HB   ASP  26           HB1      ASP  26 -22.638   0.408  11.313
  234   2HB   ASP  26           HB2      ASP  26 -20.913   0.179  11.030
  235    H    VAL  27           HN       VAL  27 -21.455   1.434   7.256
  236    HA   VAL  27           HA       VAL  27 -22.068   4.064   8.462
  237    HB   VAL  27           HB       VAL  27 -19.922   3.764   7.285
  238   1HG1  VAL  27          HG11      VAL  27 -20.677   1.947   5.771
  239   2HG1  VAL  27          HG12      VAL  27 -19.846   3.220   4.894
  240   3HG1  VAL  27          HG13      VAL  27 -21.601   3.117   4.845
  241   1HG2  VAL  27          HG21      VAL  27 -21.733   5.826   6.811
  242   2HG2  VAL  27          HG22      VAL  27 -21.175   5.390   5.200
  243   3HG2  VAL  27          HG23      VAL  27 -20.014   5.863   6.434
  244    NH1  ARG  28           NH2      ARG  28 -26.260  -1.896   7.286
  245    NH2  ARG  28           NH1      ARG  28 -24.036  -2.402   7.429
  246    H    ARG  28           HN       ARG  28 -24.328   2.611   8.027
  247    HA   ARG  28           HA       ARG  28 -25.600   3.910   5.651
  248   1HB   ARG  28           HB1      ARG  28 -27.322   2.008   6.044
  249   2HB   ARG  28           HB2      ARG  28 -26.117   1.297   7.109
  250   1HG   ARG  28           HG1      ARG  28 -24.544   1.742   4.988
  251   2HG   ARG  28           HG2      ARG  28 -26.079   1.615   4.138
  252   1HD   ARG  28           HD1      ARG  28 -25.020  -0.604   4.306
  253   2HD   ARG  28           HD2      ARG  28 -26.498  -0.568   5.264
  254    HE   ARG  28           HE       ARG  28 -23.990   0.053   6.701
  255   1HH1  ARG  28          HH21      ARG  28 -26.978  -1.274   6.973
  256   2HH1  ARG  28          HH22      ARG  28 -26.502  -2.729   7.785
  257   1HH2  ARG  28          HH11      ARG  28 -23.088  -2.159   7.224
  258   2HH2  ARG  28          HH12      ARG  28 -24.239  -3.243   7.930
  259    HA   PRO  29           HA       PRO  29 -27.430   5.807   9.474
  260   1HB   PRO  29           HB1      PRO  29 -26.982   8.038   9.165
  261   2HB   PRO  29           HB2      PRO  29 -28.111   8.108   7.812
  262   1HG   PRO  29           HG1      PRO  29 -25.190   8.021   7.730
  263   2HG   PRO  29           HG2      PRO  29 -26.314   8.273   6.393
  264   1HD   PRO  29           HD1      PRO  29 -26.061   6.119   5.702
  265   2HD   PRO  29           HD2      PRO  29 -24.781   5.921   6.912
  266    OH   TYR  30           OH       TYR  30 -29.465  10.690   3.010
  267    H    TYR  30           HN       TYR  30 -28.686   5.788   6.158
  268    HA   TYR  30           HA       TYR  30 -31.426   6.277   6.880
  269   1HB   TYR  30           HB1      TYR  30 -31.894   5.289   4.597
  270   2HB   TYR  30           HB2      TYR  30 -30.211   4.786   4.500
  271    HD1  TYR  30           HD1      TYR  30 -32.240   7.861   5.197
  272    HD2  TYR  30           HD2      TYR  30 -28.682   6.259   3.503
  273    HE1  TYR  30           HE1      TYR  30 -31.628  10.087   4.376
  274    HE2  TYR  30           HE2      TYR  30 -28.072   8.486   2.681
  275    HH   TYR  30           HH       TYR  30 -30.238  11.255   3.082
  276    H    HIS  31           HN       HIS  31 -32.494   5.018   8.278
  277    HA   HIS  31           HA       HIS  31 -32.273   2.042   7.960
  278   1HB   HIS  31           HB1      HIS  31 -32.813   1.942  10.420
  279   2HB   HIS  31           HB2      HIS  31 -32.800   3.702  10.471
  280    HD1  HIS  31           HD1      HIS  31 -30.437   1.009   9.497
  281    HD2  HIS  31           HD2      HIS  31 -30.350   4.755  11.046
  282    HE1  HIS  31           HE1      HIS  31 -28.095   1.427   9.983
  283    H    CYS  32           HN       CYS  32 -34.146   0.903   7.703
  284    HA   CYS  32           HA       CYS  32 -36.541   2.282   7.016
  285   1HB   CYS  32           HB1      CYS  32 -35.922  -0.576   7.823
  286   2HB   CYS  32           HB2      CYS  32 -36.339   0.030   6.242
  287    H    THR  33           HN       THR  33 -38.452   2.652   8.150
  288    HA   THR  33           HA       THR  33 -38.081   3.077  11.011
  289    HB   THR  33           HB       THR  33 -40.656   3.357   9.352
  290    HG1  THR  33           HG1      THR  33 -39.508   4.849   8.420
  291   1HG2  THR  33          HG21      THR  33 -40.914   5.311  11.048
  292   2HG2  THR  33          HG22      THR  33 -39.584   4.591  11.949
  293   3HG2  THR  33          HG23      THR  33 -41.096   3.710  11.755
  294    OH   TYR  34           OH       TYR  34 -44.696   2.565   8.864
  295    H    TYR  34           HN       TYR  34 -38.423   0.318   9.557
  296    HA   TYR  34           HA       TYR  34 -40.106  -0.826  11.730
  297   1HB   TYR  34           HB1      TYR  34 -41.228  -2.327  10.114
  298   2HB   TYR  34           HB2      TYR  34 -40.277  -1.670   8.793
  299    HD1  TYR  34           HD2      TYR  34 -40.549   0.854   8.271
  300    HD2  TYR  34           HD1      TYR  34 -43.269  -1.303  10.734
  301    HE1  TYR  34           HE2      TYR  34 -42.267   2.557   7.870
  302    HE2  TYR  34           HE1      TYR  34 -44.979   0.408  10.335
  303    HH   TYR  34           HH       TYR  34 -44.437   3.072   8.091
  304    H    CYS  35           HN       CYS  35 -38.458  -2.098   8.851
  305    HA   CYS  35           HA       CYS  35 -37.427  -4.410  10.151
  306   1HB   CYS  35           HB1      CYS  35 -35.950  -4.602   8.209
  307   2HB   CYS  35           HB2      CYS  35 -36.137  -2.913   7.842
  308    H    ASN  36           HN       ASN  36 -34.794  -4.532   9.581
  309    HA   ASN  36           HA       ASN  36 -33.563  -2.494  11.391
  310   1HB   ASN  36           HB1      ASN  36 -32.711  -5.413  11.057
  311   2HB   ASN  36           HB2      ASN  36 -33.805  -4.884  12.333
  312   1HD2  ASN  36          HD21      ASN  36 -32.824  -2.749  13.498
  313   2HD2  ASN  36          HD22      ASN  36 -31.194  -2.895  13.948
  314    H    PHE  37           HN       PHE  37 -33.828  -3.393   8.328
  315    HA   PHE  37           HA       PHE  37 -31.040  -3.566   7.522
  316   1HB   PHE  37           HB1      PHE  37 -33.269  -2.715   5.664
  317   2HB   PHE  37           HB2      PHE  37 -33.278  -4.360   6.299
  318    HD1  PHE  37           HD2      PHE  37 -31.161  -5.783   5.971
  319    HD2  PHE  37           HD1      PHE  37 -31.810  -2.125   3.890
  320    HE1  PHE  37           HE2      PHE  37 -29.469  -6.424   4.308
  321    HE2  PHE  37           HE1      PHE  37 -30.119  -2.771   2.231
  322    HZ   PHE  37           HZ       PHE  37 -28.948  -4.920   2.440
  323    H    SER  38           HN       SER  38 -29.944  -1.978   6.235
  324    HA   SER  38           HA       SER  38 -31.012   0.772   6.487
  325   1HB   SER  38           HB1      SER  38 -28.123   0.148   7.168
  326   2HB   SER  38           HB2      SER  38 -29.377   0.064   8.410
  327    HG   SER  38           HG1      SER  38 -29.043   2.250   6.641
  328    H    PHE  39           HN       PHE  39 -30.048   2.289   5.088
  329    HA   PHE  39           HA       PHE  39 -28.535   1.066   2.819
  330   1HB   PHE  39           HB1      PHE  39 -29.912   2.315   1.289
  331   2HB   PHE  39           HB2      PHE  39 -30.536   3.344   2.576
  332    HD1  PHE  39           HD2      PHE  39 -32.121   2.386   4.270
  333    HD2  PHE  39           HD1      PHE  39 -30.892   0.142   0.865
  334    HE1  PHE  39           HE2      PHE  39 -33.986   0.828   4.619
  335    HE2  PHE  39           HE1      PHE  39 -32.770  -1.403   1.209
  336    HZ   PHE  39           HZ       PHE  39 -34.318  -1.060   3.088
  337    H    LYS  40           HN       LYS  40 -27.278   2.593   1.584
  338    HA   LYS  40           HA       LYS  40 -25.998   4.574   3.357
  339   1HB   LYS  40           HB1      LYS  40 -25.342   3.442   0.601
  340   2HB   LYS  40           HB2      LYS  40 -24.587   3.001   2.112
  341   1HG   LYS  40           HG1      LYS  40 -24.396   5.703   0.734
  342   2HG   LYS  40           HG2      LYS  40 -23.108   4.521   0.895
  343   1HD   LYS  40           HD1      LYS  40 -23.521   4.724   3.448
  344   2HD   LYS  40           HD2      LYS  40 -24.366   6.212   3.047
  345   1HE   LYS  40           HE1      LYS  40 -22.050   6.767   3.516
  346   2HE   LYS  40           HE2      LYS  40 -22.321   6.961   1.789
  347   1HZ   LYS  40           HZ1      LYS  40 -21.283   4.441   2.924
  348   2HZ   LYS  40           HZ2      LYS  40 -20.254   5.726   2.507
  349   3HZ   LYS  40           HZ3      LYS  40 -21.213   4.987   1.317
  350    H    THR  41           HN       THR  41 -28.287   4.466   0.849
  351    HA   THR  41           HA       THR  41 -28.022   7.424   0.486
  352    HB   THR  41           HB       THR  41 -28.408   7.175  -1.886
  353    HG1  THR  41           HG1      THR  41 -29.278   4.594  -1.059
  354   1HG2  THR  41          HG21      THR  41 -26.189   5.997  -1.028
  355   2HG2  THR  41          HG22      THR  41 -26.763   5.527  -2.624
  356   3HG2  THR  41          HG23      THR  41 -27.075   4.489  -1.236
  357    H    LYS  42           HN       LYS  42 -29.961   8.522  -0.049
  358    HA   LYS  42           HA       LYS  42 -32.226   7.523   1.441
  359   1HB   LYS  42           HB1      LYS  42 -32.244   9.936  -0.401
  360   2HB   LYS  42           HB2      LYS  42 -31.385   9.992   1.133
  361   1HG   LYS  42           HG1      LYS  42 -33.492   9.320   2.299
  362   2HG   LYS  42           HG2      LYS  42 -34.335   9.382   0.754
  363   1HD   LYS  42           HD1      LYS  42 -33.709  11.769   0.513
  364   2HD   LYS  42           HD2      LYS  42 -32.879  11.705   2.063
  365   1HE   LYS  42           HE1      LYS  42 -35.401  10.656   2.622
  366   2HE   LYS  42           HE2      LYS  42 -35.737  11.970   1.501
  367   1HZ   LYS  42           HZ1      LYS  42 -34.024  13.192   3.061
  368   2HZ   LYS  42           HZ2      LYS  42 -34.604  12.060   4.186
  369   3HZ   LYS  42           HZ3      LYS  42 -35.682  13.127   3.423
  370    H    GLY  43           HN       GLY  43 -31.176   7.340  -1.789
  371   1HA   GLY  43           HA1      GLY  43 -32.228   6.552  -3.739
  372   2HA   GLY  43           HA2      GLY  43 -33.722   7.251  -3.120
  373    H    ASN  44           HN       ASN  44 -31.557   4.569  -2.212
  374    HA   ASN  44           HA       ASN  44 -33.291   2.463  -2.794
  375   1HB   ASN  44           HB1      ASN  44 -32.034   1.331  -0.781
  376   2HB   ASN  44           HB2      ASN  44 -31.140   2.845  -0.685
  377   1HD2  ASN  44          HD21      ASN  44 -29.164   1.747  -1.387
  378   2HD2  ASN  44          HD22      ASN  44 -28.950   1.286  -3.007
  379    H    LEU  45           HN       LEU  45 -33.321   4.644  -0.065
  380    HA   LEU  45           HA       LEU  45 -34.962   3.136   1.689
  381   1HB   LEU  45           HB1      LEU  45 -35.235   6.139   1.317
  382   2HB   LEU  45           HB2      LEU  45 -33.748   5.477   1.967
  383    HG   LEU  45           HG       LEU  45 -35.353   6.162   3.758
  384   1HD1  LEU  45          HD11      LEU  45 -37.113   3.855   2.881
  385   2HD1  LEU  45          HD12      LEU  45 -37.396   5.502   2.337
  386   3HD1  LEU  45          HD13      LEU  45 -37.467   5.117   4.052
  387   1HD2  LEU  45          HD21      LEU  45 -35.272   3.177   3.994
  388   2HD2  LEU  45          HD22      LEU  45 -34.760   4.410   5.135
  389   3HD2  LEU  45          HD23      LEU  45 -33.740   4.006   3.762
  390    H    THR  46           HN       THR  46 -35.970   5.735  -0.550
  391    HA   THR  46           HA       THR  46 -38.743   5.341  -0.302
  392    HB   THR  46           HB       THR  46 -37.271   6.044  -2.913
  393    HG1  THR  46           HG1      THR  46 -37.381   8.149  -1.981
  394   1HG2  THR  46          HG21      THR  46 -39.789   5.890  -3.074
  395   2HG2  THR  46          HG22      THR  46 -39.279   7.573  -3.150
  396   3HG2  THR  46          HG23      THR  46 -39.937   6.919  -1.654
  397    H    LYS  47           HN       LYS  47 -36.360   3.582  -2.156
  398    HA   LYS  47           HA       LYS  47 -38.196   2.095  -3.785
  399   1HB   LYS  47           HB1      LYS  47 -35.535   1.010  -2.798
  400   2HB   LYS  47           HB2      LYS  47 -35.576   2.355  -3.933
  401   1HG   LYS  47           HG1      LYS  47 -36.995   0.974  -5.460
  402   2HG   LYS  47           HG2      LYS  47 -36.838  -0.377  -4.343
  403   1HD   LYS  47           HD1      LYS  47 -34.969  -0.919  -5.516
  404   2HD   LYS  47           HD2      LYS  47 -34.210   0.440  -4.693
  405   1HE   LYS  47           HE1      LYS  47 -35.498   0.402  -7.431
  406   2HE   LYS  47           HE2      LYS  47 -33.846   0.843  -7.015
  407   1HZ   LYS  47           HZ1      LYS  47 -36.328   2.360  -6.507
  408   2HZ   LYS  47           HZ2      LYS  47 -34.944   2.849  -7.362
  409   3HZ   LYS  47           HZ3      LYS  47 -34.888   2.697  -5.671
  410    H    HIS  48           HN       HIS  48 -36.794   1.510  -0.591
  411    HA   HIS  48           HA       HIS  48 -37.973  -1.144  -0.380
  412   1HB   HIS  48           HB1      HIS  48 -36.766   0.764   1.683
  413   2HB   HIS  48           HB2      HIS  48 -35.980  -0.628   0.947
  414    HD1  HIS  48           HD1      HIS  48 -37.758  -2.840   1.391
  415    HD2  HIS  48           HD2      HIS  48 -37.579   0.102   4.224
  416    HE1  HIS  48           HE1      HIS  48 -38.594  -3.867   3.449
  417    H    MET  49           HN       MET  49 -38.685   1.991   1.164
  418    HA   MET  49           HA       MET  49 -40.989   1.141   2.571
  419   1HB   MET  49           HB1      MET  49 -41.656   3.668   2.207
  420   2HB   MET  49           HB2      MET  49 -40.093   3.801   1.409
  421   1HG   MET  49           HG1      MET  49 -39.658   4.359   3.655
  422   2HG   MET  49           HG2      MET  49 -39.087   2.722   3.473
  423   1HE   MET  49           HE1      MET  49 -42.097   4.455   6.290
  424   2HE   MET  49           HE2      MET  49 -41.581   5.138   4.749
  425   3HE   MET  49           HE3      MET  49 -40.409   4.905   6.047
  426    H    LYS  50           HN       LYS  50 -40.518   1.810  -0.795
  427    HA   LYS  50           HA       LYS  50 -43.208   2.337  -1.552
  428   1HB   LYS  50           HB1      LYS  50 -40.912   0.944  -3.020
  429   2HB   LYS  50           HB2      LYS  50 -41.358   2.639  -3.144
  430   1HG   LYS  50           HG1      LYS  50 -42.955   0.248  -4.129
  431   2HG   LYS  50           HG2      LYS  50 -42.227   1.516  -5.103
  432   1HD   LYS  50           HD1      LYS  50 -43.718   3.134  -3.696
  433   2HD   LYS  50           HD2      LYS  50 -44.634   1.685  -3.299
  434   1HE   LYS  50           HE1      LYS  50 -45.602   2.755  -5.283
  435   2HE   LYS  50           HE2      LYS  50 -44.892   1.209  -5.730
  436   1HZ   LYS  50           HZ1      LYS  50 -44.405   3.327  -7.117
  437   2HZ   LYS  50           HZ2      LYS  50 -43.166   2.204  -6.815
  438   3HZ   LYS  50           HZ3      LYS  50 -43.255   3.636  -5.907
  439    H    SER  51           HN       SER  51 -41.424  -0.745  -1.484
  440    HA   SER  51           HA       SER  51 -43.382  -2.495  -2.357
  441   1HB   SER  51           HB1      SER  51 -41.728  -3.062   0.151
  442   2HB   SER  51           HB2      SER  51 -41.004  -3.046  -1.469
  443    HG   SER  51           HG1      SER  51 -42.786  -4.823  -0.332
  444    H    LYS  52           HN       LYS  52 -45.078  -3.637  -1.406
  445    HA   LYS  52           HA       LYS  52 -46.579  -2.123   0.570
  446   1HB   LYS  52           HB1      LYS  52 -48.315  -3.769   0.178
  447   2HB   LYS  52           HB2      LYS  52 -47.153  -4.958  -0.400
  448   1HG   LYS  52           HG1      LYS  52 -46.715  -3.670  -2.397
  449   2HG   LYS  52           HG2      LYS  52 -47.633  -2.301  -1.781
  450   1HD   LYS  52           HD1      LYS  52 -49.703  -3.583  -1.869
  451   2HD   LYS  52           HD2      LYS  52 -48.824  -5.041  -2.319
  452   1HE   LYS  52           HE1      LYS  52 -48.971  -2.487  -3.956
  453   2HE   LYS  52           HE2      LYS  52 -49.824  -3.984  -4.312
  454   1HZ   LYS  52           HZ1      LYS  52 -47.659  -5.092  -4.492
  455   2HZ   LYS  52           HZ2      LYS  52 -46.885  -3.598  -4.261
  456   3HZ   LYS  52           HZ3      LYS  52 -47.853  -3.850  -5.633
  457    H    ALA  53           HN       ALA  53 -43.954  -3.452   1.289
  458    HA   ALA  53           HA       ALA  53 -44.425  -5.633   3.049
  459   1HB   ALA  53           HB1      ALA  53 -42.149  -4.872   2.343
  460   2HB   ALA  53           HB2      ALA  53 -42.262  -4.932   4.100
  461   3HB   ALA  53           HB3      ALA  53 -42.359  -3.386   3.264
  462    H    HIS  54           HN       HIS  54 -43.833  -2.254   4.033
  463    HA   HIS  54           HA       HIS  54 -46.096  -2.280   5.836
  464   1HB   HIS  54           HB1      HIS  54 -44.794  -3.503   7.353
  465   2HB   HIS  54           HB2      HIS  54 -44.363  -1.865   7.823
  466    HD1  HIS  54           HD1      HIS  54 -42.928  -4.874   6.399
  467    HD2  HIS  54           HD2      HIS  54 -41.757  -0.978   6.802
  468    HE1  HIS  54           HE1      HIS  54 -40.503  -4.877   6.061
  469    H    SER  55           HN       SER  55 -46.671  -0.333   5.003
  470    HA   SER  55           HA       SER  55 -44.799   1.946   5.531
  471   1HB   SER  55           HB1      SER  55 -46.044   3.079   3.598
  472   2HB   SER  55           HB2      SER  55 -46.844   1.525   3.291
  473    HG   SER  55           HG1      SER  55 -44.637   0.635   3.352
  474    H    LYS  56           HN       LYS  56 -48.220   1.818   4.638
  475    HA   LYS  56           HA       LYS  56 -48.900   3.006   7.288
  476   1HB   LYS  56           HB1      LYS  56 -50.505   4.544   5.885
  477   2HB   LYS  56           HB2      LYS  56 -49.484   4.121   4.515
  478   1HG   LYS  56           HG1      LYS  56 -48.366   6.011   5.266
  479   2HG   LYS  56           HG2      LYS  56 -47.538   4.784   6.217
  480   1HD   LYS  56           HD1      LYS  56 -49.414   5.189   7.977
  481   2HD   LYS  56           HD2      LYS  56 -49.725   6.675   7.086
  482   1HE   LYS  56           HE1      LYS  56 -47.384   7.372   7.392
  483   2HE   LYS  56           HE2      LYS  56 -47.031   5.868   8.232
  484   1HZ   LYS  56           HZ1      LYS  56 -47.447   7.199   9.992
  485   2HZ   LYS  56           HZ2      LYS  56 -49.037   6.681   9.698
  486   3HZ   LYS  56           HZ3      LYS  56 -48.524   8.203   9.145
  487    H    LYS  57           HN       LYS  57 -49.308   0.355   6.420
  488    HA   LYS  57           HA       LYS  57 -51.810  -0.199   5.281
  489   1HB   LYS  57           HB1      LYS  57 -51.679  -2.329   6.675
  490   2HB   LYS  57           HB2      LYS  57 -50.285  -1.640   7.498
  491   1HG   LYS  57           HG1      LYS  57 -49.212  -1.348   5.212
  492   2HG   LYS  57           HG2      LYS  57 -50.537  -2.297   4.548
  493   1HD   LYS  57           HD1      LYS  57 -48.632  -3.219   6.728
  494   2HD   LYS  57           HD2      LYS  57 -48.579  -3.731   5.045
  495   1HE   LYS  57           HE1      LYS  57 -51.101  -4.381   5.463
  496   2HE   LYS  57           HE2      LYS  57 -50.622  -4.376   7.155
  497   1HZ   LYS  57           HZ1      LYS  57 -48.644  -5.788   6.122
  498   2HZ   LYS  57           HZ2      LYS  57 -49.868  -6.190   5.016
  499   3HZ   LYS  57                 LYS  57 -50.089  -6.489   6.674
   
   
  No H/Q in entry =         499