REMARK Experimental NMR restraints used to determine the
REMARK high resolution three-dimensional structure of the
REMARK B1 domain of protein G in solution
REMARK
REMARK Authors: A.M. Gronenborn and G.M. Clore
REMARK
REMARK References
REMARK
REMARK 1.  Gronenborn, A.M., Filpula, D.R., Essig, N.Z., Achari, A.,
REMARK     Whitlow, M., Wingfield, P.T. & Clore, G.M. (1991)
REMARK     The immunoglobulin binding domain of streptococcal protein G
REMARK     has a novel and highly stable polypeptide fold.
REMARK     Science in press
REMARK
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 854 interproton distance restraints
REMARK    derived from NOE measurements; 60 hydrogen-bonding distance
REMARK    restraints for 30 hydrogen-bonds identified on the basis of the
REMARK    NOE and amide proton exchange data, as well as the initial structure
REMARK    calculations; and 54 phi and 51 psi backbone torsion angle
REMARK    restraints and 39 chi1 side chain torsion angle restraints derived
REMARK    from coupling constants and NOE data. The latter are obtained using
REMARK    the conformationa grid search program STEREOSEARCH [Nilges, M.,
REMARK    Clore, G.M. & Gronenborn, A.M. (1990) Biopolymers 29, 813-822
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    All the coordinates
REMARK    are included here as a separate file: g_brookhaven.pdb
REMARK
REMARK    The NOE restraints are given in (A), the torsion angle restraints
REMARK    in (B), and the table of proton chemical shift assignments in (C).
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.
 
! CaH(i)-NH(j) long range
assign (resid    2 and  name HA   )(resid   18 and  name HN   ) 4.0 2.2 1.0
assign (resid    4 and  name HA   )(resid   18 and  name HN   ) 4.0 2.2 1.0
assign (resid    5 and  name HA   )(resid   52 and  name HN   ) 2.5 0.7 0.2
assign (resid    6 and  name HA   )(resid   16 and  name HN   ) 4.0 2.2 1.0
assign (resid    8 and  name HA   )(resid   14 and  name HN   ) 4.0 2.2 1.0
assign (resid   13 and  name HA   )(resid    7 and  name HN   ) 4.0 2.2 1.0
assign (resid   13 and  name HA   )(resid    9 and  name HN   ) 2.5 0.7 0.2
assign (resid   15 and  name HA   )(resid    7 and  name HN   ) 2.5 0.7 0.4
assign (resid   17 and  name HA   )(resid    5 and  name HN   ) 2.5 0.7 0.4
assign (resid   43 and  name HA   )(resid   55 and  name HN   ) 3.0 1.2 0.5
assign (resid   52 and  name HA   )(resid   46 and  name HN   ) 3.0 1.2 0.5
assign (resid   53 and  name HA   )(resid    6 and  name HN   ) 2.5 0.7 0.4
assign (resid   54 and  name HA   )(resid   44 and  name HN   ) 2.5 0.7 0.2
assign (resid   56 and  name HA   )(resid   42 and  name HN   ) 3.0 1.2 0.5
!Long range NH(i)-NH(j)
assign (resid    3 and  name HN   )(resid   18 and  name HN   ) 3.0 1.2 0.5
assign (resid    6 and  name HN   )(resid   54 and  name HN   ) 4.0 2.2 1.0
assign (resid    7 and  name HN   )(resid   14 and  name HN   ) 3.0 1.2 0.5
assign (resid    8 and  name HN   )(resid   54 and  name HN   ) 3.0 1.2 0.5
assign (resid   16 and  name HN   )(resid    5 and  name HN   ) 3.0 1.2 0.5
assign (resid   42 and  name HN   )(resid   55 and  name HN   ) 3.0 1.2 0.5
assign (resid   44 and  name HN   )(resid   53 and  name HN   ) 3.0 1.2 0.5
assign (resid   52 and  name HN   )(resid    4 and  name HN   ) 3.0 1.2 0.5
assign (resid   52 and  name HN   )(resid    6 and  name HN   ) 4.0 2.2 1.0
!long range CaH(i)-CaH(j)
assign (resid    4 and  name HA   )(resid   17 and  name HA   ) 2.5 0.7 0.2
assign (resid   15 and  name HA   )(resid    6 and  name HA   ) 2.5 0.7 0.2
assign (resid   19 and  name HA   )(resid    2 and  name HA   ) 2.5 0.7 0.2
assign (resid   43 and  name HA   )(resid   54 and  name HA   ) 2.5 0.7 0.2
assign (resid   51 and  name HA   )(resid    5 and  name HA   ) 4.0 2.2 2.0
assign (resid   52 and  name HA   )(resid   45 and  name HA   ) 2.5 0.7 0.2
assign (resid   53 and  name HA   )(resid    5 and  name HA   ) 4.0 2.2 2.0
assign (resid   53 and  name HA   )(resid    7 and  name HA   ) 4.0 2.2 1.0
assign (resid   56 and  name HA   )(resid   41 and  name HA1  ) 2.5 1.7 1.2 !#
!long range CaH(i)-CbH(j)
assign (resid    2 and  name HA   )(resid   19 and  name HB#  ) 4.0 3.2 2.0 !#
assign (resid    3 and  name HA   )(resid   50 and  name HB1  ) 4.0 2.2 1.0
assign (resid    3 and  name HA   )(resid   50 and  name HB2  ) 4.0 2.2 1.0
assign (resid    4 and  name HA   )(resid   17 and  name HB   ) 3.0 1.2 0.3
assign (resid    5 and  name HA   )(resid   52 and  name HB1  ) 3.0 1.2 0.3
assign (resid    5 and  name HA   )(resid   52 and  name HB2  ) 3.0 1.2 0.3
assign (resid   13 and  name HA   )(resid    7 and  name HB1  ) 4.0 2.2 1.0
assign (resid   17 and  name HA   )(resid    2 and  name HB   ) 4.0 2.2 2.0
assign (resid   17 and  name HA   )(resid    4 and  name HB1  ) 4.0 2.2 2.0
assign (resid   17 and  name HA   )(resid    4 and  name HB2  ) 4.0 2.2 1.0
assign (resid   26 and  name HA   )(resid   20 and  name HB#  ) 3.0 2.7 1.8 !#
assign (resid   40 and  name HA   )(resid   34 and  name HB#  ) 4.0 3.7 3.5 !#
assign (resid   55 and  name HA   )(resid    8 and  name HB1  ) 2.5 0.7 0.2
assign (resid   55 and  name HA   )(resid    8 and  name HB2  ) 2.5 0.7 0.2
assign (resid   54 and  name HA   )(resid   43 and  name HB1  ) 4.0 2.2 1.0
assign (resid   43 and  name HA   )(resid   54 and  name HB   ) 4.0 2.2 1.0
assign (resid   51 and  name HA   )(resid    4 and  name HB2  ) 3.0 1.2 0.3
assign (resid   51 and  name HA   )(resid    4 and  name HB1  ) 4.0 2.2 1.0
assign (resid   52 and  name HA   )(resid    3 and  name HB2  ) 4.0 2.2 1.0
!Cbh(i)-CbH(j)
assign (resid    3 and  name HB1  )(resid   46 and  name HB1  ) 4.0 2.2 2.0
assign (resid   26 and  name HB#  )(resid    3 and  name HB2  ) 3.0 2.7 1.8 !
assign (resid   26 and  name HB#  )(resid   20 and  name HB#  ) 2.5 3.7 3.2 ! !#
assign (resid   34 and  name HB#  )(resid   54 and  name HB   ) 4.0 3.7 2.5 !
assign (resid   54 and  name HB   )(resid    8 and  name HN   ) 4.0 2.2 2.0
assign (resid   55 and  name HB   )(resid   42 and  name HB1  ) 4.0 2.2 1.0
assign (resid   55 and  name HB   )(resid   42 and  name HB2  ) 3.0 1.2 0.3
!long range Thr CbH(i)-NH(j)
assign (resid   17 and  name HB   )(resid    3 and  name HN   ) 4.0 2.2 1.0
assign (resid   51 and  name HB   )(resid   46 and  name HN   ) 4.0 2.2 1.0
assign (resid   53 and  name HB   )(resid   44 and  name HN   ) 4.0 2.2 1.0
assign (resid   55 and  name HB   )(resid   42 and  name HN   ) 4.0 2.2 1.0
!long range CbH(i)-NH(j)
assign (resid    3 and  name HB2  )(resid   18 and  name HN   ) 4.0 2.2 2.0
assign (resid    5 and  name HB1  )(resid   16 and  name HN   ) 3.0 1.2 0.5
assign (resid    5 and  name HB2  )(resid   16 and  name HN   ) 4.0 2.2 2.0
assign (resid    5 and  name HB1  )(resid   15 and  name HN   ) 4.0 2.2 2.0
assign (resid   15 and  name HB#  )(resid    7 and  name HN   ) 4.0 3.2 2.0 !
assign (resid   39 and  name HB   )(resid   56 and  name HN   ) 4.0 2.2 2.0
assign (resid   54 and  name HB   )(resid    8 and  name HN   ) 4.0 2.2 2.0
assign (resid   56 and  name HB1  )(resid   10 and  name HN   ) 2.5 0.7 0.4
assign (resid   56 and  name HB2  )(resid   10 and  name HN   ) 2.5 0.7 0.4
!other long range
assign (resid    5 and  name HD2# )(resid   16 and  name HG2# ) 3.0 4.2 3.3 ! !#
assign (resid    5 and  name HD2# )(resid   30 and  name HA   ) 3.0 2.7 1.8 !
assign (resid    5 and  name HD1# )(resid   30 and  name HB2  ) 4.0 3.7 2.5 !
assign (resid    5 and  name HD2# )(resid   30 and  name HB2  ) 4.0 3.7 2.5 !
assign (resid    5 and  name HD2# )(resid   30 and  name HB1  ) 3.0 2.7 1.8 !
assign (resid    5 and  name HD1# )(resid   30 and  name HB1  ) 4.0 3.7 2.5 !
assign (resid    5 and  name HD2# )(resid   33 and  name HB#  ) 4.0 4.7 3.5 ! !#
assign (resid    5 and  name HD2# )(resid   34 and  name HA   ) 4.0 3.7 2.5 !
assign (resid    5 and  name HD2# )(resid   34 and  name HN   ) 4.0 3.7 2.5 !
assign (resid    5 and  name HD2# )(resid   34 and  name HB#  ) 3.0 4.2 3.3 ! !#
assign (resid    5 and  name HD1# )(resid   34 and  name HB#  ) 4.0 5.2 4.0 ! !#
assign (resid    5 and  name HD1# )(resid   52 and  name HN   ) 4.0 3.7 2.5 !
assign (resid    5 and  name HD1# )(resid   54 and  name HN   ) 2.5 2.2 1.9 !
assign (resid    5 and  name HD1# )(resid   15 and  name HA   ) 4.0 3.7 2.5 !
assign (resid    5 and  name HD1# )(resid   53 and  name HA   ) 3.0 2.7 1.8 !
assign (resid    5 and  name HD1# )(resid   54 and  name HG1# ) 4.0 5.2 4.0 ! !#
assign (resid    5 and  name HD1# )(resid   54 and  name HG2# ) 4.0 5.2 4.0 ! !#
assign (resid    5 and  name HD1# )(resid   54 and  name HB   ) 4.0 3.7 2.5 !
assign (resid    5 and  name HG   )(resid   15 and  name HA   ) 4.0 2.2 1.0
assign (resid    6 and  name HG2# )(resid   14 and  name HN   ) 4.0 3.7 2.5 !
assign (resid    6 and  name HD#  )(resid   15 and  name HB#  ) 3.0 3.7 2.8 ! !#
assign (resid    7 and  name HD1# )(resid   15 and  name HA   ) 3.0 2.7 1.8 !
assign (resid    7 and  name HD1# )(resid   16 and  name HG2# ) 3.0 4.2 3.3 ! !#
assign (resid    7 and  name HD#  )(resid   34 and  name HN   ) 4.0 4.6 3.4 !
assign (resid    7 and  name HD1# )(resid   34 and  name HA   ) 4.0 3.7 2.5 !
assign (resid    7 and  name HD2# )(resid   34 and  name HA   ) 4.0 3.7 2.5 !
assign (resid    7 and  name HD*  )(resid   15 and  name HG1  ) 4.0 5.6 5.4 ! !#
assign (resid    7 and  name HD1# )(resid   15 and  name HG2  ) 4.0 4.7 4.5 ! !#
assign (resid    7 and  name HD2# )(resid   34 and  name HB#  ) 3.0 4.2 3.3 ! !#
assign (resid    7 and  name HD2# )(resid   54 and  name HB   ) 4.0 3.7 2.5 !
assign (resid    7 and  name HD2# )(resid   39 and  name HB   ) 4.0 3.7 2.5 !
assign (resid   12 and  name HD2# )(resid   37 and  name HB1  ) 2.5 2.2 1.7 !
assign (resid   12 and  name HD1# )(resid   37 and  name HB2  ) 4.0 3.7 3.5 !
assign (resid   12 and  name HD2# )(resid   37 and  name HB2  ) 3.0 2.7 1.8 !
assign (resid   12 and  name HD1# )(resid   37 and  name HB1  ) 4.0 3.7 3.5 !
assign (resid   56 and  name HG#  )(resid   10 and  name HN   ) 4.0 3.2 2.0 !
!long range Val CbH(i)-NH(j)
!assign (resid 54 and name hb) (resid 45 and name hn) 2.5 0.7 0.4
assign (resid   39 and  name HG1# )(resid    9 and  name HN   ) 3.0 2.7 2.0 !
assign (resid   39 and  name HG2# )(resid    9 and  name HN   ) 4.0 3.7 3.5 !
assign (resid   39 and  name HG1# )(resid    8 and  name HN   ) 4.0 3.7 2.5 !
assign (resid   39 and  name HG1# )(resid   10 and  name HN   ) 4.0 3.7 2.5 !
assign (resid   39 and  name HG2# )(resid   10 and  name HN   ) 4.0 3.7 3.5 !
assign (resid   39 and  name HG2# )(resid   12 and  name HN   ) 4.0 3.7 2.5 !
assign (resid   39 and  name HG1# )(resid   12 and  name HN   ) 4.0 3.7 3.5 !
assign (resid   39 and  name HG1# )(resid   54 and  name HA   ) 4.0 3.7 2.5 !
assign (resid   39 and  name HG1# )(resid   56 and  name HA   ) 4.0 3.7 2.5 !
assign (resid   39 and  name HG1# )(resid   56 and  name HN   ) 4.0 3.7 2.5 !
assign (resid   39 and  name HG1# )(resid   56 and  name HG#  ) 3.0 3.7 2.8 ! !#
assign (resid   39 and  name HG1# )(resid   56 and  name HB#  ) 4.0 4.7 3.5 ! !#
!long range Val hg
assign (resid   39 and  name HG1# )(resid   54 and  name HG1# ) 2.5 3.7 3.2 ! !#
assign (resid   39 and  name HG1# )(resid   54 and  name HG2# ) 2.5 3.7 3.2 ! !#
assign (resid   39 and  name HG1# )(resid   54 and  name HB   ) 4.0 3.7 2.5 !
assign (resid   39 and  name HG1# )(resid   34 and  name HB#  ) 4.0 5.2 4.0 ! !#
assign (resid   39 and  name HG2# )(resid   34 and  name HB#  ) 4.0 5.2 5.0 ! !#
assign (resid   39 and  name HG1# )(resid    7 and  name HA   ) 4.0 3.7 2.5 !
assign (resid   54 and  name HG1# )(resid    5 and  name HB2  ) 4.0 3.7 3.5 !
assign (resid   54 and  name HG1# )(resid    7 and  name HD2# ) 2.5 3.7 3.2 ! !#
assign (resid   54 and  name HG2# )(resid    7 and  name HD2# ) 4.0 5.2 4.0 ! !#
assign (resid   54 and  name HG1# )(resid    7 and  name HG   ) 3.0 2.7 1.8 !
assign (resid   54 and  name HG2# )(resid    7 and  name HB1  ) 4.0 3.7 3.5 !
assign (resid   54 and  name HG1# )(resid    8 and  name HN   ) 2.5 2.2 1.7 !
assign (resid   54 and  name HG1# )(resid   34 and  name HB#  ) 3.0 4.2 3.3 ! !#
assign (resid   54 and  name HG2# )(resid   34 and  name HB#  ) 4.0 5.2 4.0 ! !#
assign (resid   54 and  name HG1# )(resid   39 and  name HB   ) 4.0 3.7 3.5 !
assign (resid   54 and  name HG2# )(resid   40 and  name HA   ) 4.0 3.7 2.5 !
assign (resid   54 and  name HG2# )(resid   41 and  name HN   ) 2.5 2.2 1.9 !
assign (resid   54 and  name HG1# )(resid   41 and  name HN   ) 4.0 3.7 2.5 !
assign (resid   54 and  name HG2# )(resid   41 and  name HA1  ) 4.0 4.7 3.5 ! !#
assign (resid   54 and  name HG2# )(resid   41 and  name HA2  ) 4.0 4.7 4.5 ! !#
assign (resid   54 and  name HG2# )(resid   42 and  name HN   ) 4.0 3.7 2.5 !
assign (resid   54 and  name HG2# )(resid   43 and  name HA   ) 3.0 2.7 1.8 !
!long range Thr hg2#
assign (resid    2 and  name HG2# )(resid   18 and  name HN   ) 2.5 2.2 1.9 !
assign (resid    2 and  name HG2# )(resid   17 and  name HA   ) 4.0 3.7 2.5 !
assign (resid    2 and  name HG2# )(resid   19 and  name HG#  ) 4.0 4.7 3.5 ! !#
assign (resid   16 and  name HG2# )(resid    5 and  name HN   ) 3.0 2.7 2.0 !
assign (resid   16 and  name HG2# )(resid    5 and  name HB2  ) 3.0 2.7 1.8 !
assign (resid   16 and  name HG2# )(resid   33 and  name HB#  ) 4.0 4.7 3.5 ! !#
assign (resid   17 and  name HG2# )(resid    4 and  name HA   ) 3.0 2.7 1.8 !
assign (resid   17 and  name HG2# )(resid    4 and  name HN   ) 4.0 3.7 3.5 !
assign (resid   18 and  name HG2# )(resid    3 and  name HN   ) 3.0 2.7 2.0 !
assign (resid   18 and  name HG2# )(resid    3 and  name HB2  ) 4.0 3.7 2.5 !
assign (resid   18 and  name HG2# )(resid   26 and  name HA   ) 3.0 2.7 1.8 !
assign (resid   18 and  name HG2# )(resid   29 and  name HG1# ) 3.0 4.2 3.3 ! !#
assign (resid   18 and  name HG2# )(resid   29 and  name HG2# ) 4.0 5.2 4.0 ! !#
assign (resid   18 and  name HG2# )(resid   29 and  name HB   ) 3.0 2.7 1.8 !
assign (resid   25 and  name HB   )(resid   28 and  name HD#  ) 4.0 3.2 2.0 !#
assign (resid   25 and  name HB   )(resid   28 and  name HE#  ) 4.0 3.2 2.0 !#
assign (resid   51 and  name HG2# )(resid    4 and  name HB1  ) 3.0 2.7 1.8 !
assign (resid   51 and  name HG2# )(resid    4 and  name HB2  ) 3.0 2.7 1.8 !
assign (resid   51 and  name HG2# )(resid    5 and  name HA   ) 4.0 3.7 2.5 !
assign (resid   51 and  name HG2# )(resid    6 and  name HG1# ) 4.0 4.7 3.5 ! !#
assign (resid   53 and  name HG2# )(resid    6 and  name HB   ) 3.0 2.7 1.8 !
assign (resid   53 and  name HG2# )(resid    7 and  name HN   ) 4.0 3.7 2.5 !
assign (resid   53 and  name HG2# )(resid    8 and  name HB1  ) 4.0 3.7 2.5 !
assign (resid   53 and  name HG2# )(resid    8 and  name HB2  ) 4.0 3.7 2.5 !
assign (resid   55 and  name HG2# )(resid    8 and  name HN   ) 3.0 2.7 2.0 !
!Long range aromatics
!Tyr-3
assign (resid    3 and  name HD1  )(resid   20 and  name HB#  ) 3.0 2.7 1.8 !#
assign (resid    3 and  name HE1  )(resid   20 and  name HB#  ) 3.0 2.7 1.8 !#
assign (resid    3 and  name HE2  )(resid   23 and  name HB#  ) 4.0 3.7 2.5 !#
assign (resid    3 and  name HD1  )(resid   26 and  name HB#  ) 3.0 2.7 1.8 !#
assign (resid    3 and  name HD2  )(resid   45 and  name HE1  ) 3.0 1.2 0.3
assign (resid    3 and  name HE2  )(resid   45 and  name HE1  ) 4.0 2.2 1.0
assign (resid    3 and  name HD2  )(resid   50 and  name HA   ) 3.0 1.2 0.3
assign (resid    3 and  name HD2  )(resid   50 and  name HB2  ) 4.0 2.2 1.0
assign (resid    3 and  name HD2  )(resid   50 and  name HB1  ) 2.5 0.7 0.2
!Phe-30
assign (resid   30 and  name HZ   )(resid    3 and  name HB1  ) 4.0 2.2 1.0
assign (resid   30 and  name HZ   )(resid    3 and  name HB2  ) 4.0 2.2 1.0
assign (resid   30 and  name HE2  )(resid    3 and  name HB1  ) 4.0 2.2 1.0
assign (resid   30 and  name HE2  )(resid    3 and  name HB2  ) 4.0 2.2 1.0
assign (resid   30 and  name HZ   )(resid    4 and  name HA   ) 3.0 1.2 0.3
assign (resid   30 and  name HE1  )(resid    4 and  name HA   ) 4.0 2.2 1.0
assign (resid   30 and  name HE2  )(resid    4 and  name HA   ) 4.0 2.2 1.0
assign (resid   30 and  name HD1  )(resid    5 and  name HB2  ) 3.0 1.2 0.3
assign (resid   30 and  name HE1  )(resid    5 and  name HB2  ) 3.0 1.2 0.3
assign (resid   30 and  name HZ   )(resid    5 and  name HB2  ) 4.0 2.2 1.0
assign (resid   30 and  name HZ   )(resid    5 and  name HN   ) 4.0 2.2 1.0
assign (resid   30 and  name HE1  )(resid    5 and  name HN   ) 4.0 2.2 1.0
assign (resid   30 and  name HE2  )(resid    5 and  name HN   ) 4.0 2.2 1.0
assign (resid   30 and  name HE1  )(resid   16 and  name HG2# ) 3.0 2.7 1.8 !#
assign (resid   30 and  name HZ   )(resid   16 and  name HG2# ) 4.0 3.7 3.5 !#
assign (resid   30 and  name HE1  )(resid   16 and  name HB   ) 4.0 2.2 1.0
assign (resid   30 and  name HZ   )(resid   17 and  name HA   ) 3.0 1.2 0.3
assign (resid   30 and  name HE1  )(resid   17 and  name HA   ) 4.0 2.2 1.0
assign (resid   30 and  name HE2  )(resid   17 and  name HA   ) 4.0 2.2 1.0
assign (resid   30 and  name HZ   )(resid   17 and  name HB   ) 4.0 2.2 2.0
assign (resid   30 and  name HE1  )(resid   18 and  name HN   ) 3.0 1.2 0.5
assign (resid   30 and  name HZ   )(resid   18 and  name HB   ) 4.0 2.2 1.0
assign (resid   30 and  name HE1  )(resid   18 and  name HB   ) 3.0 1.2 0.3
assign (resid   30 and  name HZ   )(resid   18 and  name HG2# ) 3.0 2.7 1.8 !#
!Tyr-33
assign (resid   33 and  name HD1  )(resid   16 and  name HG2# ) 4.0 3.7 2.5 !#
assign (resid   33 and  name HE1  )(resid   16 and  name HG2# ) 4.0 3.7 2.5 !#
assign (resid   33 and  name HD1  )(resid    5 and  name HD2# ) 3.0 2.7 1.8 !#
assign (resid   33 and  name HD1  )(resid    7 and  name HD1# ) 3.0 2.7 1.8 !#
assign (resid   33 and  name HE1  )(resid    7 and  name HD1# ) 3.0 2.7 1.8 !#
assign (resid   33 and  name HD1  )(resid    7 and  name HD2# ) 3.0 2.7 1.8 !#
assign (resid   33 and  name HE1  )(resid    7 and  name HD2# ) 3.0 2.7 1.8 !#
!Trp-43
assign (resid   43 and  name HH2  )(resid    5 and  name HD1# ) 3.0 2.7 1.8 !#
assign (resid   43 and  name HZ3  )(resid    5 and  name HD1# ) 3.0 2.7 1.8 !#
assign (resid   43 and  name HH2  )(resid    5 and  name HD1# ) 3.0 2.7 1.8 !#
assign (resid   43 and  name HZ3  )(resid    5 and  name HD1# ) 3.0 2.7 1.8 !#
assign (resid   43 and  name HZ3  )(resid    5 and  name HB2  ) 4.0 2.2 1.0
assign (resid   43 and  name HE3  )(resid    5 and  name HD1# ) 4.0 3.7 2.5 !#
assign (resid   43 and  name HZ2  )(resid    5 and  name HD1# ) 4.0 3.7 2.5 !#
assign (resid   43 and  name HH2  )(resid   30 and  name HN   ) 4.0 2.2 2.0
assign (resid   43 and  name HH2  )(resid   31 and  name HN   ) 4.0 2.2 1.0
assign (resid   43 and  name HH2  )(resid   31 and  name HA   ) 3.0 1.2 0.3
assign (resid   43 and  name HZ2  )(resid   31 and  name HA   ) 3.0 1.2 0.3
assign (resid   43 and  name HH2  )(resid   31 and  name HA   ) 3.0 1.2 0.3
assign (resid   43 and  name HE3  )(resid   31 and  name HB2  ) 4.0 2.2 1.0
assign (resid   43 and  name HH2  )(resid   31 and  name HB2  ) 4.0 2.2 2.0
assign (resid   43 and  name HZ2  )(resid   31 and  name HB2  ) 4.0 2.2 2.0
assign (resid   43 and  name HE1  )(resid   31 and  name HA   ) 4.0 2.2 2.0
assign (resid   43 and  name HE1  )(resid   31 and  name HB2  ) 4.0 2.2 2.0
assign (resid   43 and  name HE1  )(resid   31 and  name HG#  ) 4.0 3.2 3.0 !#
assign (resid   43 and  name HH2  )(resid   34 and  name HB#  ) 2.5 2.2 1.7 !#
assign (resid   43 and  name HZ2  )(resid   34 and  name HB#  ) 3.0 2.7 1.8 !#
assign (resid   43 and  name HZ3  )(resid   34 and  name HB#  ) 4.0 3.7 2.5 !#
assign (resid   43 and  name HE1  )(resid   40 and  name HA   ) 4.0 2.2 1.0
assign (resid   43 and  name HZ3  )(resid   52 and  name HD1  ) 3.0 1.2 0.3
assign (resid   43 and  name HE3  )(resid   52 and  name HD1  ) 3.0 1.2 0.3
assign (resid   43 and  name HE3  )(resid   52 and  name HE1  ) 4.0 2.2 1.0
assign (resid   43 and  name HE3  )(resid   52 and  name HA   ) 4.0 2.2 2.0
assign (resid   43 and  name HE3  )(resid   52 and  name HB1  ) 4.0 2.2 1.0
assign (resid   43 and  name HE3  )(resid   53 and  name HN   ) 4.0 2.2 1.0
assign (resid   43 and  name HZ2  )(resid   54 and  name HB   ) 4.0 2.2 1.0
assign (resid   43 and  name HE3  )(resid   54 and  name HB   ) 4.0 2.2 1.0
assign (resid   43 and  name HE3  )(resid   54 and  name HA   ) 4.0 2.2 1.0
assign (resid   43 and  name HE1  )(resid   54 and  name HG1# ) 4.0 3.7 2.5 !#
assign (resid   43 and  name HE1  )(resid   54 and  name HG2# ) 3.0 2.7 1.8 !#
assign (resid   43 and  name HZ2  )(resid   54 and  name HG2# ) 3.0 2.7 1.8 !#
assign (resid   43 and  name HZ2  )(resid   54 and  name HG1# ) 4.0 3.7 2.5 !#
assign (resid   43 and  name HE3  )(resid   54 and  name HG2# ) 3.0 2.7 1.8 !#
assign (resid   43 and  name HE3  )(resid   54 and  name HG1# ) 4.0 3.7 2.5 !#
assign (resid   43 and  name HH2  )(resid   54 and  name HG2# ) 4.0 3.7 2.5 !#
assign (resid   43 and  name HH2  )(resid   54 and  name HG1# ) 4.0 3.7 2.5 !#
assign (resid   43 and  name HZ3  )(resid   54 and  name HG2# ) 4.0 3.7 2.5 !#
assign (resid   43 and  name HZ3  )(resid   54 and  name HG1# ) 4.0 3.7 2.5 !#
assign (resid   43 and  name HE3  )(resid   54 and  name HG2# ) 3.0 2.7 1.8 !#
!Phe-45
assign (resid   45 and  name HE2  )(resid   23 and  name HB#  ) 4.0 3.7 2.5 !#
assign (resid   45 and  name HE2  )(resid   26 and  name HN   ) 4.0 2.2 1.0
assign (resid   45 and  name HE1  )(resid   51 and  name HN   ) 4.0 2.2 1.0
assign (resid   45 and  name HE1  )(resid   52 and  name HD2  ) 4.0 2.2 1.0
assign (resid   45 and  name HE2  )(resid   52 and  name HD2  ) 4.0 2.2 1.0
assign (resid   45 and  name HE2  )(resid   52 and  name HE2  ) 3.0 1.2 0.3
assign (resid   45 and  name HE2  )(resid   52 and  name HZ   ) 4.0 2.2 1.0
assign (resid   45 and  name HD2  )(resid   52 and  name HD1  ) 4.0 2.2 1.0
assign (resid   45 and  name HD2  )(resid   52 and  name HD2  ) 4.0 2.2 1.0
assign (resid   45 and  name HD2  )(resid   52 and  name HE1  ) 3.0 1.2 0.3
assign (resid   45 and  name HD#  )(resid   52 and  name HA   ) 3.0 3.2 2.3 !
!Phe-52
assign (resid   52 and  name HD1  )(resid    5 and  name HB2  ) 4.0 2.2 2.0
assign (resid   52 and  name HD2  )(resid    5 and  name HB2  ) 4.0 2.2 2.0
assign (resid   52 and  name HD1  )(resid    5 and  name HD1# ) 3.0 2.7 1.8 !#
assign (resid   52 and  name HE2  )(resid   23 and  name HB#  ) 4.0 3.7 2.5 !#
assign (resid   52 and  name HZ   )(resid   23 and  name HB#  ) 3.0 2.7 1.8 !#
assign (resid   52 and  name HZ   )(resid   23 and  name HA   ) 4.0 2.2 1.0
assign (resid   52 and  name HD2  )(resid   26 and  name HB#  ) 4.0 3.7 2.5 !#
assign (resid   52 and  name HE2  )(resid   26 and  name HB#  ) 3.0 2.7 1.8 !#
assign (resid   52 and  name HZ   )(resid   26 and  name HB#  ) 4.0 3.7 2.5 !#
assign (resid   52 and  name HE1  )(resid   27 and  name HN   ) 4.0 2.2 1.0
assign (resid   52 and  name HE2  )(resid   27 and  name HN   ) 4.0 2.2 1.0
assign (resid   52 and  name HZ   )(resid   27 and  name HN   ) 3.0 1.2 0.5
assign (resid   52 and  name HE1  )(resid   27 and  name HG2  ) 3.0 2.2 1.3 !#
assign (resid   52 and  name HE#  )(resid   27 and  name HG1  ) 3.0 4.2 3.3 ! !#
assign (resid   52 and  name HZ   )(resid   27 and  name HG1  ) 3.0 2.2 1.3 !#
assign (resid   52 and  name HZ   )(resid   27 and  name HA   ) 4.0 2.2 2.0
assign (resid   52 and  name HD1  )(resid   30 and  name HB1  ) 4.0 2.2 1.0
assign (resid   52 and  name HD2  )(resid   30 and  name HZ   ) 4.0 2.2 2.0
assign (resid   52 and  name HD1  )(resid   44 and  name HN   ) 4.0 2.2 1.0
assign (resid   52 and  name HD#  )(resid   45 and  name HB2  ) 3.0 3.2 2.3 !
assign (resid   52 and  name HD#  )(resid   45 and  name HB1  ) 4.0 4.2 3.0 !
assign (resid   52 and  name HE1  )(resid   45 and  name HB2  ) 3.0 1.2 0.3
assign (resid   52 and  name HE#  )(resid   45 and  name HB1  ) 4.0 4.2 3.0 !
assign (resid   52 and  name HD1  )(resid   45 and  name HA   ) 4.0 2.2 1.0
assign (resid   52 and  name HD2  )(resid   45 and  name HA   ) 4.0 2.2 1.0
!Ile
assign (resid    6 and  name HD#  )(resid   53 and  name HA   ) 4.0 3.7 2.5 !
assign (resid    6 and  name HB   )(resid   53 and  name HA   ) 3.0 1.2 0.3
!Noes involving side chain amides
assign (resid    8 and  name HD21 )(resid   53 and  name HG2# ) 3.0 3.7 2.0 ! !#
assign (resid    8 and  name HD22 )(resid   53 and  name HG2# ) 4.0 4.7 2.5 ! !#
assign (resid    8 and  name HD21 )(resid   55 and  name HG2# ) 3.0 3.7 2.0 ! !#
assign (resid    8 and  name HD22 )(resid   55 and  name HG2# ) 4.0 4.7 2.5 ! !#
assign (resid    8 and  name HD21 )(resid   55 and  name HN   ) 4.0 3.2 2.0 !
!!!Short range NOEs
!CaH(i)-NH(i+1)
assign (resid    1 and  name HA   )(resid    2 and  name HN   ) 2.5 0.7 0.2
assign (resid    2 and  name HA   )(resid    3 and  name HN   ) 2.5 0.7 0.2
assign (resid    3 and  name HA   )(resid    4 and  name HN   ) 2.5 0.7 0.2
assign (resid    4 and  name HA   )(resid    5 and  name HN   ) 2.5 0.7 0.2
assign (resid    5 and  name HA   )(resid    6 and  name HN   ) 2.5 0.7 0.2
assign (resid    6 and  name HA   )(resid    7 and  name HN   ) 2.5 0.7 0.2
assign (resid    7 and  name HA   )(resid    8 and  name HN   ) 2.5 0.7 0.2
assign (resid    8 and  name HA   )(resid    9 and  name HN   ) 2.5 0.7 0.2
assign (resid    9 and  name HA1  )(resid   10 and  name HN   ) 2.5 1.7 1.2 !
assign (resid    9 and  name HA2  )(resid   10 and  name HN   ) 2.5 1.7 1.2 !
assign (resid   10 and  name HA   )(resid   11 and  name HN   ) 4.0 2.2 1.0
assign (resid   11 and  name HA   )(resid   12 and  name HN   ) 3.0 1.2 0.5
assign (resid   12 and  name HA   )(resid   13 and  name HN   ) 2.5 0.7 0.2
assign (resid   13 and  name HA   )(resid   14 and  name HN   ) 2.5 0.7 0.2
assign (resid   14 and  name HA1  )(resid   15 and  name HN   ) 2.5 1.7 1.2 !
assign (resid   14 and  name HA2  )(resid   15 and  name HN   ) 2.5 1.7 1.2 !
assign (resid   15 and  name HA   )(resid   16 and  name HN   ) 2.5 0.7 0.2
assign (resid   16 and  name HA   )(resid   17 and  name HN   ) 3.0 1.2 0.5
assign (resid   17 and  name HA   )(resid   18 and  name HN   ) 2.5 0.7 0.2
assign (resid   18 and  name HA   )(resid   19 and  name HN   ) 2.5 0.7 0.2
assign (resid   19 and  name HA   )(resid   20 and  name HN   ) 2.5 0.7 0.2
assign (resid   20 and  name HA   )(resid   21 and  name HN   ) 2.5 0.7 0.2
assign (resid   21 and  name HN   )(resid   22 and  name HN   ) 4.0 2.2 1.0
assign (resid   22 and  name HA   )(resid   23 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
assign (resid   24 and  name HA   )(resid   25 and  name HN   ) 4.0 2.2 1.0
assign (resid   25 and  name HA   )(resid   26 and  name HN   ) 4.0 2.2 1.0
assign (resid   26 and  name HA   )(resid   27 and  name HN   ) 4.0 2.2 1.0
assign (resid   27 and  name HA   )(resid   28 and  name HN   ) 4.0 2.2 1.0
assign (resid   28 and  name HA   )(resid   29 and  name HN   ) 4.0 2.2 1.0
assign (resid   32 and  name HA   )(resid   33 and  name HN   ) 4.0 2.2 1.0
assign (resid   33 and  name HA   )(resid   34 and  name HN   ) 3.0 1.2 0.5
assign (resid   34 and  name HA   )(resid   35 and  name HN   ) 4.0 2.2 1.0
assign (resid   35 and  name HA   )(resid   36 and  name HN   ) 4.0 2.2 1.0
assign (resid   36 and  name HA   )(resid   37 and  name HN   ) 4.0 2.2 1.0
assign (resid   37 and  name HA   )(resid   38 and  name HN   ) 3.0 1.2 0.5
assign (resid   38 and  name HA1  )(resid   39 and  name HN   ) 3.0 2.2 1.5 !
assign (resid   38 and  name HA2  )(resid   39 and  name HN   ) 3.0 2.2 1.5 !
assign (resid   39 and  name HA   )(resid   40 and  name HN   ) 3.0 1.2 0.5
assign (resid   40 and  name HA   )(resid   41 and  name HN   ) 2.5 0.7 0.2
assign (resid   41 and  name HA1  )(resid   42 and  name HN   ) 2.5 1.7 1.2 !
assign (resid   41 and  name HA2  )(resid   42 and  name HN   ) 3.0 2.2 1.5 !
assign (resid   42 and  name HA   )(resid   43 and  name HN   ) 2.5 0.7 0.2
assign (resid   43 and  name HA   )(resid   44 and  name HN   ) 2.5 0.7 0.2
assign (resid   44 and  name HA   )(resid   45 and  name HN   ) 2.5 0.7 0.2
assign (resid   45 and  name HA   )(resid   46 and  name HN   ) 2.5 0.7 0.2
assign (resid   46 and  name HA   )(resid   47 and  name HN   ) 2.5 0.7 0.2
assign (resid   47 and  name HA   )(resid   48 and  name HN   ) 4.0 2.2 2.0
assign (resid   48 and  name HA   )(resid   49 and  name HN   ) 4.0 2.2 1.0
assign (resid   49 and  name HA   )(resid   50 and  name HN   ) 3.0 1.2 0.5
assign (resid   50 and  name HA   )(resid   51 and  name HN   ) 3.0 1.2 0.5
assign (resid   51 and  name HA   )(resid   52 and  name HN   ) 2.5 0.7 0.2
assign (resid   52 and  name HA   )(resid   53 and  name HN   ) 2.5 0.7 0.2
assign (resid   53 and  name HA   )(resid   54 and  name HN   ) 2.5 0.7 0.2
assign (resid   54 and  name HA   )(resid   55 and  name HN   ) 2.5 0.7 0.2
assign (resid   55 and  name HA   )(resid   56 and  name HN   ) 2.5 0.7 0.2
!NH(i)-NH(i+1)
assign (resid    2 and  name HN   )(resid    3 and  name HN   ) 4.0 2.2 1.0
assign (resid    6 and  name HN   )(resid    7 and  name HN   ) 4.0 2.2 1.0
assign (resid    8 and  name HN   )(resid    9 and  name HN   ) 3.0 1.2 0.5
assign (resid    9 and  name HN   )(resid   10 and  name HN   ) 4.0 2.2 1.0
assign (resid   10 and  name HN   )(resid   11 and  name HN   ) 2.5 0.7 0.4
assign (resid   11 and  name HN   )(resid   12 and  name HN   ) 2.5 0.7 0.4
assign (resid   12 and  name HN   )(resid   13 and  name HN   ) 4.0 2.2 1.0
assign (resid   15 and  name HN   )(resid   16 and  name HN   ) 4.0 2.2 1.0
assign (resid   16 and  name HN   )(resid   17 and  name HN   ) 4.0 2.2 1.0
assign (resid   18 and  name HN   )(resid   19 and  name HN   ) 4.0 2.2 1.0
assign (resid   21 and  name HN   )(resid   22 and  name HN   ) 2.5 0.7 0.4
assign (resid   22 and  name HN   )(resid   23 and  name HN   ) 4.0 2.2 1.0
assign (resid   23 and  name HN   )(resid   24 and  name HN   ) 3.0 1.2 0.5
assign (resid   24 and  name HN   )(resid   25 and  name HN   ) 2.5 0.7 0.4
assign (resid   25 and  name HN   )(resid   26 and  name HN   ) 2.5 0.7 0.4
assign (resid   26 and  name HN   )(resid   27 and  name HN   ) 2.5 0.7 0.4
assign (resid   27 and  name HN   )(resid   28 and  name HN   ) 2.5 0.7 0.4
assign (resid   28 and  name HN   )(resid   29 and  name HN   ) 2.5 0.7 0.4
assign (resid   29 and  name HN   )(resid   30 and  name HN   ) 2.5 0.7 0.4
assign (resid   30 and  name HN   )(resid   31 and  name HN   ) 2.5 0.7 0.4
assign (resid   31 and  name HN   )(resid   32 and  name HN   ) 2.5 0.7 0.4
assign (resid   32 and  name HN   )(resid   33 and  name HN   ) 2.5 0.7 0.4
assign (resid   33 and  name HN   )(resid   34 and  name HN   ) 2.5 0.7 0.4
assign (resid   34 and  name HN   )(resid   35 and  name HN   ) 2.5 0.7 0.4
assign (resid   35 and  name HN   )(resid   36 and  name HN   ) 2.5 0.7 0.4
assign (resid   36 and  name HN   )(resid   37 and  name HN   ) 2.5 0.7 0.4
assign (resid   37 and  name HN   )(resid   38 and  name HN   ) 2.5 0.7 0.4
assign (resid   38 and  name HN   )(resid   39 and  name HN   ) 2.5 0.7 0.4
assign (resid   42 and  name HN   )(resid   43 and  name HN   ) 4.0 2.2 1.0
assign (resid   44 and  name HN   )(resid   45 and  name HN   ) 4.0 2.2 1.0
assign (resid   45 and  name HN   )(resid   46 and  name HN   ) 4.0 2.2 1.0
assign (resid   47 and  name HN   )(resid   48 and  name HN   ) 3.0 1.2 0.5
assign (resid   48 and  name HN   )(resid   49 and  name HN   ) 3.0 1.2 0.5
assign (resid   49 and  name HN   )(resid   50 and  name HN   ) 2.5 0.7 0.2
assign (resid   50 and  name HN   )(resid   51 and  name HN   ) 2.5 0.7 0.4
assign (resid   51 and  name HN   )(resid   52 and  name HN   ) 4.0 2.2 1.0
assign (resid   55 and  name HN   )(resid   56 and  name HN   ) 4.0 2.2 1.0
!CaH-CbH
assign (resid    2 and  name HA   )(resid    3 and  name HB2  ) 4.0 2.2 1.0
assign (resid    4 and  name HA   )(resid    5 and  name HB2  ) 4.0 2.2 2.0
assign (resid   30 and  name HA   )(resid   29 and  name HB   ) 4.0 2.2 1.0
assign (resid   51 and  name HA   )(resid   52 and  name HB2  ) 4.0 2.2 1.0
assign (resid   52 and  name HA   )(resid   53 and  name HB   ) 4.0 2.2 1.0
assign (resid   49 and  name HA   )(resid   48 and  name HB#  ) 4.0 3.5 2.5 !#
assign (resid   34 and  name HA   )(resid   39 and  name HB   ) 3.0 1.2 0.3
!CaH(i)-NH(i+2)
assign (resid    9 and  name HA1  )(resid   11 and  name HN   ) 4.0 3.2 2.0 !
assign (resid    9 and  name HA2  )(resid   11 and  name HN   ) 4.0 3.2 2.0 !
assign (resid   20 and  name HA   )(resid   22 and  name HN   ) 4.0 2.2 1.0
assign (resid   28 and  name HA   )(resid   30 and  name HN   ) 4.0 2.2 1.0
assign (resid   35 and  name HA   )(resid   37 and  name HN   ) 3.0 1.2 0.5
assign (resid   46 and  name HA   )(resid   48 and  name HN   ) 4.0 2.2 1.0
assign (resid   48 and  name HA   )(resid   50 and  name HN   ) 4.0 2.2 1.0
! CaH(i)-NH(i+3)
assign (resid   23 and  name HA   )(resid   26 and  name HN   ) 3.0 1.2 0.5
assign (resid   24 and  name HA   )(resid   27 and  name HN   ) 3.0 1.2 0.5
assign (resid   26 and  name HA   )(resid   29 and  name HN   ) 3.0 1.2 0.5
assign (resid   28 and  name HA   )(resid   31 and  name HN   ) 3.0 1.2 0.5
assign (resid   30 and  name HA   )(resid   33 and  name HN   ) 4.0 2.2 1.0
assign (resid   31 and  name HA   )(resid   34 and  name HN   ) 3.0 1.2 0.5
assign (resid   32 and  name HA   )(resid   35 and  name HN   ) 4.0 2.2 1.0
assign (resid   33 and  name HA   )(resid   36 and  name HN   ) 3.0 1.2 0.5
assign (resid   34 and  name HA   )(resid   37 and  name HN   ) 4.0 2.2 1.0
assign (resid   35 and  name HA   )(resid   38 and  name HN   ) 3.0 1.2 0.5
!assign (resid 37 and name ha) (resid 40 and name hn) 4.0 2.2 1.0
!NH(i)-NH(i+2)
assign (resid   10 and  name HN   )(resid   12 and  name HN   ) 3.0 1.2 0.5
assign (resid   24 and  name HN   )(resid   26 and  name HN   ) 4.0 2.2 1.0
assign (resid   27 and  name HN   )(resid   29 and  name HN   ) 4.0 2.2 1.0
assign (resid   30 and  name HN   )(resid   28 and  name HN   ) 4.0 2.2 1.0
assign (resid   31 and  name HN   )(resid   29 and  name HN   ) 4.0 2.2 1.0
assign (resid   31 and  name HN   )(resid   33 and  name HN   ) 4.0 2.2 1.0
assign (resid   34 and  name HN   )(resid   32 and  name HN   ) 4.0 2.2 1.0
assign (resid   34 and  name HN   )(resid   36 and  name HN   ) 4.0 2.2 1.0
assign (resid   36 and  name HN   )(resid   38 and  name HN   ) 4.0 2.2 1.0
assign (resid   39 and  name HN   )(resid   37 and  name HN   ) 4.0 2.2 1.0
assign (resid   47 and  name HN   )(resid   49 and  name HN   ) 4.0 2.2 1.0
assign (resid   48 and  name HN   )(resid   50 and  name HN   ) 4.0 2.2 1.0
assign (resid   49 and  name HN   )(resid   51 and  name HN   ) 4.0 2.2 1.0
!NH(i)-NH(i+3)
assign (resid    9 and  name HN   )(resid   12 and  name HN   ) 4.0 2.2 1.0
assign (resid   27 and  name HN   )(resid   30 and  name HN   ) 4.0 2.2 1.0
!NH(i)-NH(i+5)
assign (resid   46 and  name HN   )(resid   51 and  name HN   ) 4.0 2.2 1.0
! CaH(i)-NH(i+4)
assign (resid   23 and  name HA   )(resid   27 and  name HN   ) 4.0 2.2 1.0
assign (resid   32 and  name HA   )(resid   36 and  name HN   ) 4.0 2.2 1.0
assign (resid   35 and  name HA   )(resid   39 and  name HN   ) 4.0 2.2 1.0
! CaH(i)-NH(i+5)
assign (resid   34 and  name HA   )(resid   39 and  name HN   ) 4.0 2.2 1.0
assign (resid   46 and  name HA   )(resid   51 and  name HN   ) 4.0 2.2 1.0
!CaH(i)-CbH(i+3)
assign (resid   23 and  name HA   )(resid   26 and  name HB#  ) 3.0 2.7 1.8 !#
assign (resid   24 and  name HA   )(resid   27 and  name HB2  ) 3.0 1.2 0.3
assign (resid   24 and  name HA   )(resid   27 and  name HB1  ) 4.0 2.2 1.0
assign (resid   26 and  name HA   )(resid   29 and  name HB   ) 3.0 1.2 0.3
assign (resid   28 and  name HA   )(resid   31 and  name HB2  ) 3.0 1.2 0.3
assign (resid   28 and  name HA   )(resid   31 and  name HB1  ) 3.0 1.2 0.3
assign (resid   29 and  name HA   )(resid   32 and  name HB1  ) 3.0 1.2 0.3
assign (resid   29 and  name HA   )(resid   32 and  name HB2  ) 4.0 2.2 1.0
assign (resid   30 and  name HA   )(resid   33 and  name HB1  ) 3.0 1.2 0.3
assign (resid   30 and  name HA   )(resid   33 and  name HB2  ) 3.0 1.2 0.3
assign (resid   31 and  name HA   )(resid   34 and  name HB#  ) 3.0 2.7 1.8 !#
assign (resid   32 and  name HA   )(resid   35 and  name HB1  ) 3.0 1.2 0.3
assign (resid   32 and  name HA   )(resid   35 and  name HB2  ) 3.0 1.2 0.3
assign (resid   33 and  name HA   )(resid   36 and  name HB2  ) 3.0 1.2 0.3
assign (resid   33 and  name HA   )(resid   36 and  name HB1  ) 4.0 2.2 1.0
assign (resid   34 and  name HA   )(resid   37 and  name HB2  ) 3.0 1.2 0.3
assign (resid   34 and  name HA   )(resid   37 and  name HB1  ) 4.0 2.2 1.0
!CaH(i)-CaH(i+5)
assign (resid    8 and  name HA   )(resid   13 and  name HA   ) 3.0 1.2 0.5
!CbH(i)-CbH(j) short range
assign (resid   51 and  name HB   )(resid   46 and  name HB1  ) 3.0 1.2 0.3
assign (resid   51 and  name HB   )(resid   46 and  name HB2  ) 4.0 2.2 1.0
!CbH-NH
assign (resid   49 and  name HN   )(resid   46 and  name HB1  ) 4.0 2.2 1.0
assign (resid   49 and  name HN   )(resid   46 and  name HB2  ) 4.0 2.2 1.0
assign (resid   50 and  name HN   )(resid   51 and  name HN   ) 4.0 2.2 1.0
assign (resid   50 and  name HN   )(resid   48 and  name HB#  ) 4.0 3.7 2.5 !#
!Others
assign (resid    6 and  name HB   )(resid    7 and  name HN   ) 4.0 2.2 1.0
assign (resid   34 and  name HB#  )(resid   39 and  name HN   ) 4.0 3.7 2.5 !
assign (resid   37 and  name HB1  )(resid   39 and  name HN   ) 4.0 2.2 1.0
assign (resid   23 and  name HB#  )(resid   26 and  name HB#  ) 4.0 5.2 4.0 ! !#
assign (resid   22 and  name HB2  )(resid   24 and  name HN   ) 4.0 2.2 1.0
assign (resid   20 and  name HB#  )(resid   22 and  name HN   ) 3.0 2.7 2.0 !
!Thr hg2#(i) to j
assign (resid    2 and  name HG2# )(resid    3 and  name HN   ) 2.5 2.2 1.7 !
assign (resid   11 and  name HG2# )(resid   12 and  name HN   ) 4.0 3.7 2.5 !
assign (resid   11 and  name HG2# )(resid   10 and  name HB#  ) 4.0 4.7 3.5 ! !#
assign (resid   16 and  name HG2# )(resid   17 and  name HA   ) 4.0 3.7 3.5 !
assign (resid   16 and  name HG2# )(resid   17 and  name HN   ) 3.0 2.7 2.0 !
assign (resid   16 and  name HG2# )(resid   15 and  name HA   ) 4.0 3.7 2.5 !
assign (resid   16 and  name HG2# )(resid   15 and  name HA   ) 4.0 3.7 3.5 !
assign (resid   18 and  name HG2# )(resid   17 and  name HA   ) 4.0 3.7 3.5 !
assign (resid   18 and  name HG2# )(resid   19 and  name HN   ) 3.0 2.7 2.0 !
assign (resid   18 and  name HG2# )(resid   20 and  name HN   ) 4.0 3.7 2.5 !
assign (resid   18 and  name HG2# )(resid   19 and  name HA   ) 4.0 3.7 3.5 !
assign (resid   25 and  name HG2# )(resid   26 and  name HN   ) 4.0 3.7 2.5 !
assign (resid   25 and  name HG2# )(resid   22 and  name HN   ) 4.0 3.7 2.5 !
assign (resid   25 and  name HG2# )(resid   21 and  name HN   ) 4.0 3.7 2.5 !
assign (resid   49 and  name HG2# )(resid   50 and  name HN   ) 4.0 3.7 2.5 !
assign (resid   49 and  name HG2# )(resid   48 and  name HB#  ) 3.0 4.2 3.3 ! !#
assign (resid   49 and  name HG2# )(resid   48 and  name HN   ) 4.0 3.7 3.5 !
assign (resid   49 and  name HG2# )(resid   46 and  name HB1  ) 4.0 3.7 3.5 !
assign (resid   51 and  name HG2# )(resid   52 and  name HN   ) 2.5 2.2 1.7 !
assign (resid   51 and  name HG2# )(resid   46 and  name HB1  ) 4.0 3.7 2.5 !
assign (resid   53 and  name HG2# )(resid   54 and  name HN   ) 2.5 2.2 1.7 !
assign (resid   53 and  name HG2# )(resid   55 and  name HN   ) 4.0 3.7 2.5 !
assign (resid   53 and  name HA   )(resid   54 and  name HB   ) 4.0 2.2 1.0
assign (resid   53 and  name HA   )(resid   54 and  name HG1# ) 4.0 3.7 2.5 !#
assign (resid   55 and  name HG2# )(resid   56 and  name HN   ) 3.0 2.7 2.0 !
!Val hg(i)-Others
assign (resid   54 and  name HG1# )(resid   55 and  name HN   ) 2.5 2.2 1.7 !
assign (resid   54 and  name HG2# )(resid   55 and  name HN   ) 2.5 2.2 1.7 !
assign (resid   54 and  name HG2# )(resid   56 and  name HG#  ) 4.0 4.7 4.5 ! !#
assign (resid   54 and  name HG1# )(resid   56 and  name HG#  ) 4.0 4.7 3.5 ! !#
assign (resid   39 and  name HG2# )(resid   38 and  name HN   ) 4.0 3.7 2.5 !
assign (resid   39 and  name HG1# )(resid   40 and  name HA   ) 4.0 3.7 2.5 !
assign (resid   39 and  name HG1# )(resid   34 and  name HA   ) 4.0 3.7 2.5 !
assign (resid   29 and  name HG2# )(resid   26 and  name HA   ) 3.0 2.7 1.8 !
assign (resid   29 and  name HG1# )(resid   26 and  name HA   ) 3.0 2.7 1.8 !
assign (resid   29 and  name HG2# )(resid   28 and  name HA   ) 4.0 3.7 2.5 !
assign (resid   29 and  name HG1# )(resid   30 and  name HA   ) 4.0 3.7 2.5 !
assign (resid   29 and  name HG1# )(resid   33 and  name HB#  ) 4.0 4.7 3.5 ! !#
assign (resid   21 and  name HG1# )(resid   22 and  name HN   ) 3.0 2.7 1.8 !
!Ile
assign (resid    6 and  name HG2# )(resid    8 and  name HN   ) 4.0 3.7 2.5 !
assign (resid    6 and  name HG2# )(resid    8 and  name HB#  ) 4.0 4.7 3.5 ! !#
!NOEs involving side chain amide groups
assign (resid   37 and  name HD21 )(resid   33 and  name HA   ) 4.0 3.2 1.0 !
assign (resid   37 and  name HD21 )(resid   34 and  name HA   ) 4.0 3.2 2.0 !
assign (resid   37 and  name HD21 )(resid   36 and  name HB1  ) 4.0 3.2 1.0 !
assign (resid    8 and  name HD21 )(resid    6 and  name HG2# ) 4.0 4.7 2.5 ! !#
assign (resid    8 and  name HD22 )(resid    6 and  name HG2# ) 4.0 4.7 2.5 ! !#
!Aromatic NOEs
assign (resid   30 and  name HD1  )(resid   29 and  name HG1# ) 4.0 3.7 2.5 !#
assign (resid   30 and  name HE1  )(resid   29 and  name HG1# ) 4.0 3.7 3.5 !#
assign (resid   30 and  name HE2  )(resid   29 and  name HG1# ) 4.0 3.7 3.5 !#
assign (resid   30 and  name HD2  )(resid   27 and  name HA   ) 4.0 2.2 1.0
assign (resid   33 and  name HD1  )(resid   37 and  name HD21 ) 4.0 3.2 1.0 !#
assign (resid   33 and  name HD1  )(resid   37 and  name HD22 ) 4.0 3.2 1.0 !#
assign (resid   33 and  name HD1  )(resid   34 and  name HA   ) 2.5 0.7 0.2
assign (resid   33 and  name HD1  )(resid   34 and  name HN   ) 2.5 0.7 0.2
assign (resid   33 and  name HE1  )(resid   34 and  name HN   ) 4.0 2.2 1.0
assign (resid   33 and  name HD1  )(resid   34 and  name HB#  ) 4.0 3.7 2.5 !#
assign (resid   43 and  name HD1  )(resid   42 and  name HA   ) 3.0 1.2 0.3
assign (resid   45 and  name HE1  )(resid   47 and  name HA   ) 3.0 1.2 0.3
assign (resid   45 and  name HE1  )(resid   50 and  name HA   ) 4.0 2.2 1.0
assign (resid   45 and  name HE1  )(resid   50 and  name HN   ) 4.0 2.2 1.0
assign (resid   45 and  name HE1  )(resid   47 and  name HB2  ) 3.0 1.2 0.3
assign (resid   45 and  name HE1  )(resid   47 and  name HB1  ) 4.0 2.2 1.0
assign (resid   43 and  name HE1  )(resid   40 and  name HA   ) 4.0 2.2 1.0
assign (resid   43 and  name HE1  )(resid   41 and  name HN   ) 2.5 0.7 0.2
assign (resid   43 and  name HD1  )(resid   41 and  name HN   ) 4.0 2.2 1.0
assign (resid   43 and  name HD1  )(resid   42 and  name HB2  ) 4.0 2.2 1.0
assign (resid   52 and  name HD1  )(resid   53 and  name HN   ) 3.0 1.2 0.5
assign (resid   52 and  name HD2  )(resid   51 and  name HG2# ) 4.0 3.7 3.5 !#
assign (resid   52 and  name HD2  )(resid   51 and  name HA   ) 4.0 2.2 1.0
assign (resid   52 and  name HD1  )(resid   52 and  name HA   ) 3.0 1.2 0.3
assign (resid   52 and  name HD2  )(resid   52 and  name HA   ) 3.0 1.2 0.3
!Leu HD*
assign (resid    5 and  name HG   )(resid    7 and  name HA   ) 4.0 2.2 1.0
assign (resid    5 and  name HD1# )(resid    7 and  name HA   ) 3.0 2.7 1.8 !
assign (resid    5 and  name HD1# )(resid    7 and  name HG   ) 4.0 3.7 2.5 !
assign (resid    5 and  name HD2# )(resid    7 and  name HG   ) 4.0 3.7 2.5 !
assign (resid    5 and  name HD2# )(resid    7 and  name HD1# ) 3.0 4.2 3.3 ! !#
assign (resid    5 and  name HD2# )(resid    7 and  name HD2# ) 3.0 4.2 3.3 ! !#
assign (resid    7 and  name HD2# )(resid    8 and  name HN   ) 4.0 3.7 2.5 !
assign (resid    7 and  name HD*  )(resid    8 and  name HA   ) 4.0 4.6 4.4 !
assign (resid    7 and  name HD*  )(resid    5 and  name HB2  ) 4.0 4.6 3.4 !
assign (resid   12 and  name HD1# )(resid   13 and  name HN   ) 3.0 2.7 1.8 !
assign (resid   12 and  name HD2# )(resid   13 and  name HN   ) 4.0 3.7 3.5 !
!Lys
assign (resid   13 and  name HG#  )(resid    8 and  name HA   ) 2.5 1.7 1.2 !
assign (resid   13 and  name HD#  )(resid    8 and  name HA   ) 4.0 3.2 2.0 !
assign (resid   13 and  name HB1  )(resid    8 and  name HA   ) 4.0 2.2 2.0
assign (resid   13 and  name HB2  )(resid    8 and  name HA   ) 4.0 2.2 1.0
!Glu
assign (resid   27 and  name HG1  )(resid   24 and  name HA   ) 3.0 2.2 1.5 !
!Intraresidue
!Ha-NH
assign (resid    2 and  name HN   )(resid    2 and  name HA   ) 3.0 1.2 0.5
assign (resid    3 and  name HN   )(resid    3 and  name HA   ) 3.0 1.2 0.5
assign (resid    4 and  name HN   )(resid    4 and  name HA   ) 4.0 2.2 1.0
assign (resid    5 and  name HN   )(resid    5 and  name HA   ) 3.0 1.2 0.5
assign (resid    6 and  name HN   )(resid    6 and  name HA   ) 2.5 0.7 0.2
assign (resid    7 and  name HN   )(resid    7 and  name HA   ) 3.0 1.2 0.5
assign (resid    8 and  name HN   )(resid    8 and  name HA   ) 3.0 1.2 0.5
assign (resid   10 and  name HN   )(resid   10 and  name HA   ) 4.0 2.2 1.0
assign (resid   11 and  name HN   )(resid   11 and  name HA   ) 4.0 2.2 1.0
assign (resid   12 and  name HN   )(resid   12 and  name HA   ) 3.0 1.2 0.5
assign (resid   13 and  name HN   )(resid   13 and  name HA   ) 3.0 1.2 0.5
assign (resid   15 and  name HN   )(resid   15 and  name HA   ) 3.0 1.2 0.5
assign (resid   16 and  name HN   )(resid   16 and  name HA   ) 3.0 1.2 0.5
assign (resid   17 and  name HN   )(resid   17 and  name HA   ) 3.0 1.2 0.5
assign (resid   18 and  name HN   )(resid   18 and  name HA   ) 3.0 1.2 0.5
assign (resid   19 and  name HN   )(resid   19 and  name HA   ) 4.0 2.2 1.0
assign (resid   20 and  name HN   )(resid   20 and  name HA   ) 3.0 1.2 0.5
assign (resid   21 and  name HN   )(resid   21 and  name HA   ) 3.0 1.2 0.5
assign (resid   22 and  name HN   )(resid   22 and  name HA   ) 3.0 1.2 0.5
assign (resid   23 and  name HN   )(resid   23 and  name HA   ) 3.0 1.2 0.5
assign (resid   24 and  name HN   )(resid   24 and  name HA   ) 3.0 1.2 0.5
assign (resid   25 and  name HN   )(resid   25 and  name HA   ) 3.0 1.2 0.5
assign (resid   26 and  name HN   )(resid   26 and  name HA   ) 3.0 1.2 0.5
assign (resid   27 and  name HN   )(resid   27 and  name HA   ) 2.5 0.7 0.4
assign (resid   28 and  name HN   )(resid   28 and  name HA   ) 3.0 1.2 0.5
assign (resid   29 and  name HN   )(resid   29 and  name HA   ) 3.0 1.2 0.5
assign (resid   30 and  name HN   )(resid   30 and  name HA   ) 3.0 1.2 0.5
assign (resid   31 and  name HN   )(resid   31 and  name HA   ) 3.0 1.2 0.5
assign (resid   32 and  name HN   )(resid   32 and  name HA   ) 3.0 1.2 0.5
assign (resid   33 and  name HN   )(resid   33 and  name HA   ) 2.5 0.7 0.4
assign (resid   34 and  name HN   )(resid   34 and  name HA   ) 2.5 0.7 0.4
assign (resid   35 and  name HN   )(resid   35 and  name HA   ) 3.0 1.2 0.5
assign (resid   36 and  name HN   )(resid   36 and  name HA   ) 2.5 0.7 0.4
assign (resid   37 and  name HN   )(resid   37 and  name HA   ) 3.0 1.2 0.5
assign (resid   39 and  name HN   )(resid   39 and  name HA   ) 3.0 1.2 0.5
assign (resid   40 and  name HN   )(resid   40 and  name HA   ) 3.0 1.2 0.5
assign (resid   42 and  name HN   )(resid   42 and  name HA   ) 3.0 1.2 0.5
assign (resid   43 and  name HN   )(resid   43 and  name HA   ) 3.0 1.2 0.5
assign (resid   44 and  name HN   )(resid   44 and  name HA   ) 3.0 1.2 0.5
assign (resid   45 and  name HN   )(resid   45 and  name HA   ) 4.0 2.2 1.0
assign (resid   46 and  name HN   )(resid   46 and  name HA   ) 3.0 1.2 0.5
assign (resid   47 and  name HN   )(resid   47 and  name HA   ) 3.0 1.2 0.5
assign (resid   48 and  name HN   )(resid   48 and  name HA   ) 4.0 2.2 1.0
assign (resid   49 and  name HN   )(resid   49 and  name HA   ) 4.0 2.2 1.0
assign (resid   50 and  name HN   )(resid   50 and  name HA   ) 2.5 0.7 0.4
assign (resid   51 and  name HN   )(resid   51 and  name HA   ) 3.0 1.2 0.5
assign (resid   52 and  name HN   )(resid   52 and  name HA   ) 4.0 2.2 1.0
assign (resid   53 and  name HN   )(resid   53 and  name HA   ) 3.0 1.2 0.5
assign (resid   54 and  name HN   )(resid   54 and  name HA   ) 3.0 1.2 0.5
assign (resid   55 and  name HN   )(resid   55 and  name HA   ) 3.0 1.2 0.5
assign (resid   56 and  name HN   )(resid   56 and  name HA   ) 3.0 1.2 0.5
!Ha-Hn Gly
assign (resid    9 and  name HA1  )(resid    9 and  name HN   ) 2.5 1.3 0.8 !
assign (resid    9 and  name HA2  )(resid    9 and  name HN   ) 3.0 1.8 1.1 !
assign (resid   14 and  name HA1  )(resid   14 and  name HN   ) 3.0 1.8 1.1 !
assign (resid   14 and  name HA2  )(resid   14 and  name HN   ) 3.0 1.8 1.1 !
assign (resid   38 and  name HA1  )(resid   38 and  name HN   ) 3.0 1.8 1.1 !
assign (resid   38 and  name HA2  )(resid   38 and  name HN   ) 2.5 1.3 0.8 !
assign (resid   41 and  name HA1  )(resid   41 and  name HN   ) 2.5 1.3 0.8 !
assign (resid   41 and  name HA2  )(resid   41 and  name HN   ) 3.0 1.8 1.1 !
!CaH-CbH
assign (resid    1 and  name HA   )(resid    1 and  name HB#  ) 3.0 2.2 1.3 !#
assign (resid    2 and  name HA   )(resid    2 and  name HB   ) 4.0 2.2 1.0
assign (resid    3 and  name HA   )(resid    3 and  name HB1  ) 2.5 0.7 0.2
assign (resid    3 and  name HA   )(resid    3 and  name HB2  ) 4.0 2.2 1.0
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
assign (resid    5 and  name HA   )(resid    5 and  name HB1  ) 4.0 2.2 1.0
assign (resid    5 and  name HA   )(resid    5 and  name HB2  ) 2.5 0.7 0.2
assign (resid    6 and  name HA   )(resid    6 and  name HB   ) 3.0 1.2 0.3
assign (resid    7 and  name HA   )(resid    7 and  name HB2  ) 4.0 2.2 1.0
assign (resid    7 and  name HA   )(resid    7 and  name HB1  ) 2.5 0.7 0.2
assign (resid    8 and  name HA   )(resid    8 and  name HB#  ) 3.0 2.2 1.3 !#
assign (resid   10 and  name HA   )(resid   10 and  name HB#  ) 4.0 3.2 2.0 !#
assign (resid   11 and  name HA   )(resid   11 and  name HB   ) 4.0 2.2 1.0
assign (resid   12 and  name HA   )(resid   12 and  name HB1  ) 4.0 2.2 1.0
assign (resid   12 and  name HA   )(resid   12 and  name HB2  ) 2.5 0.7 0.2
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   16 and  name HA   )(resid   16 and  name HB   ) 2.5 0.7 0.2
assign (resid   17 and  name HA   )(resid   17 and  name HB   ) 2.5 0.7 0.2
assign (resid   18 and  name HA   )(resid   18 and  name HB   ) 2.5 0.7 0.2
assign (resid   21 and  name HA   )(resid   21 and  name HB   ) 2.5 0.7 0.2
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  ) 2.5 0.7 0.2
assign (resid   25 and  name HA   )(resid   25 and  name HB   ) 4.0 2.2 1.0
assign (resid   27 and  name HA   )(resid   27 and  name HB2  ) 4.0 2.2 1.0
assign (resid   27 and  name HA   )(resid   27 and  name HB1  ) 2.5 0.7 0.2
assign (resid   28 and  name HA   )(resid   28 and  name HB#  ) 3.0 2.2 1.3 !#
assign (resid   29 and  name HA   )(resid   29 and  name HB   ) 4.0 2.2 1.0
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   31 and  name HA   )(resid   31 and  name HB1  ) 3.0 1.2 0.3
assign (resid   31 and  name HA   )(resid   31 and  name HB2  ) 2.5 0.7 0.2
assign (resid   32 and  name HA   )(resid   32 and  name HB1  ) 4.0 2.2 1.0
assign (resid   32 and  name HA   )(resid   32 and  name HB2  ) 2.5 0.7 0.2
assign (resid   33 and  name HA   )(resid   33 and  name HB#  ) 3.0 2.2 1.3 !#
assign (resid   35 and  name HA   )(resid   35 and  name HB#  ) 3.0 2.2 1.3 !#
assign (resid   36 and  name HA   )(resid   36 and  name HB2  ) 4.0 2.2 1.0
assign (resid   36 and  name HA   )(resid   36 and  name HB1  ) 2.5 0.7 0.2
assign (resid   37 and  name HA   )(resid   37 and  name HB2  ) 4.0 2.2 1.0
assign (resid   37 and  name HA   )(resid   37 and  name HB1  ) 2.5 0.7 0.2
assign (resid   39 and  name HA   )(resid   39 and  name HB   ) 4.0 2.2 1.0
assign (resid   40 and  name HA   )(resid   40 and  name HB1  ) 2.5 0.7 0.2
assign (resid   40 and  name HA   )(resid   40 and  name HB2  ) 4.0 2.2 1.0
assign (resid   42 and  name HA   )(resid   42 and  name HB1  ) 2.5 0.7 0.2
assign (resid   42 and  name HA   )(resid   42 and  name HB2  ) 4.0 2.2 1.0
assign (resid   43 and  name HA   )(resid   43 and  name HB1  ) 2.5 0.7 0.2
assign (resid   43 and  name HA   )(resid   43 and  name HB2  ) 4.0 2.2 1.0
assign (resid   44 and  name HA   )(resid   44 and  name HB   ) 2.5 0.7 0.2
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 HB1  ) 4.0 2.2 1.0
assign (resid   46 and  name HA   )(resid   46 and  name HB1  ) 4.0 2.2 1.0
assign (resid   46 and  name HA   )(resid   46 and  name HB2  ) 2.5 0.7 0.2
assign (resid   47 and  name HA   )(resid   47 and  name HB2  ) 2.5 0.7 0.2
assign (resid   47 and  name HA   )(resid   47 and  name HB1  ) 4.0 2.2 1.0
assign (resid   50 and  name HA   )(resid   50 and  name HB1  ) 2.5 0.7 0.2
assign (resid   50 and  name HA   )(resid   50 and  name HB2  ) 4.0 2.2 1.0
assign (resid   51 and  name HA   )(resid   51 and  name HB   ) 4.0 2.2 1.0
assign (resid   52 and  name HA   )(resid   52 and  name HB#  ) 2.5 1.7 1.2 !#
assign (resid   53 and  name HA   )(resid   53 and  name HB   ) 4.0 2.2 1.0
assign (resid   54 and  name HA   )(resid   54 and  name HB   ) 2.5 0.7 0.2
assign (resid   55 and  name HA   )(resid   55 and  name HB   ) 4.0 2.2 1.0
assign (resid   56 and  name HA   )(resid   56 and  name HB#  ) 3.0 2.2 1.3 !#
!NH-CbH
assign (resid    2 and  name HN   )(resid    2 and  name HB   ) 2.5 0.7 0.4
assign (resid    3 and  name HN   )(resid    3 and  name HB1  ) 4.0 2.2 1.0
assign (resid    3 and  name HN   )(resid    3 and  name HB2  ) 3.0 1.2 0.5
assign (resid    4 and  name HN   )(resid    4 and  name HB1  ) 2.5 0.7 0.4
assign (resid    4 and  name HN   )(resid    4 and  name HB2  ) 4.0 2.2 1.0
assign (resid    5 and  name HN   )(resid    5 and  name HB1  ) 2.5 0.7 0.4
assign (resid    5 and  name HN   )(resid    5 and  name HB2  ) 4.0 2.2 1.0
assign (resid    6 and  name HN   )(resid    6 and  name HB   ) 3.0 1.2 0.5
assign (resid    7 and  name HN   )(resid    7 and  name HB2  ) 2.5 0.7 0.4
assign (resid    7 and  name HN   )(resid    7 and  name HB1  ) 4.0 2.2 1.0
assign (resid    8 and  name HN   )(resid    8 and  name HB#  ) 3.0 1.8 1.1 !#
assign (resid   10 and  name HN   )(resid   10 and  name HB#  ) 3.0 1.8 1.1 !#
assign (resid   11 and  name HN   )(resid   11 and  name HB   ) 3.0 1.2 0.5
assign (resid   12 and  name HN   )(resid   12 and  name HB1  ) 3.0 1.2 0.5
assign (resid   12 and  name HN   )(resid   12 and  name HB2  ) 3.0 1.2 0.5
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  ) 2.5 0.7 0.4
assign (resid   15 and  name HN   )(resid   15 and  name HB#  ) 3.0 1.8 1.1 !#
assign (resid   16 and  name HN   )(resid   16 and  name HB   ) 3.0 1.2 0.5
assign (resid   17 and  name HN   )(resid   17 and  name HB   ) 4.0 2.2 1.0
assign (resid   18 and  name HN   )(resid   18 and  name HB   ) 4.0 2.2 1.0
assign (resid   20 and  name HN   )(resid   20 and  name HB#  ) 3.0 2.3 1.6 !#
assign (resid   21 and  name HN   )(resid   21 and  name HB   ) 3.0 1.2 0.5
assign (resid   22 and  name HN   )(resid   22 and  name HB2  ) 4.0 2.2 1.0
assign (resid   22 and  name HN   )(resid   22 and  name HB1  ) 3.0 1.2 0.5
assign (resid   23 and  name HN   )(resid   23 and  name HB#  ) 3.0 2.3 1.6 !#
assign (resid   24 and  name HN   )(resid   24 and  name HB#  ) 3.0 2.3 1.6 !#
assign (resid   25 and  name HN   )(resid   25 and  name HB   ) 3.0 1.2 0.5
assign (resid   26 and  name HN   )(resid   26 and  name HB#  ) 3.0 2.3 1.6 !#
assign (resid   27 and  name HN   )(resid   27 and  name HB2  ) 2.5 0.7 0.4
assign (resid   27 and  name HN   )(resid   27 and  name HB1  ) 3.0 1.2 0.5
assign (resid   28 and  name HN   )(resid   28 and  name HB#  ) 3.0 1.8 1.1 !#
assign (resid   29 and  name HN   )(resid   29 and  name HB   ) 2.5 0.7 0.4
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 0.4
assign (resid   31 and  name HN   )(resid   31 and  name HB2  ) 2.5 0.7 0.4
assign (resid   31 and  name HN   )(resid   31 and  name HB1  ) 3.0 1.2 0.5
assign (resid   32 and  name HN   )(resid   32 and  name HB1  ) 2.5 0.7 0.4
assign (resid   32 and  name HN   )(resid   32 and  name HB2  ) 4.0 2.2 1.0
assign (resid   33 and  name HN   )(resid   33 and  name HB#  ) 3.0 1.8 1.1 !#
assign (resid   34 and  name HN   )(resid   34 and  name HB#  ) 2.5 1.8 1.5 !#
assign (resid   35 and  name HN   )(resid   35 and  name HB#  ) 3.0 1.8 1.1 !#
assign (resid   36 and  name HN   )(resid   36 and  name HB2  ) 2.5 0.7 0.4
assign (resid   36 and  name HN   )(resid   36 and  name HB1  ) 4.0 2.2 1.0
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  ) 2.5 0.7 0.4
assign (resid   39 and  name HN   )(resid   39 and  name HB   ) 2.5 0.7 0.4
assign (resid   40 and  name HN   )(resid   40 and  name HB2  ) 2.5 0.7 0.4
assign (resid   40 and  name HN   )(resid   40 and  name HB1  ) 4.0 2.2 1.0
assign (resid   42 and  name HN   )(resid   42 and  name HB1  ) 4.0 2.2 1.0
assign (resid   42 and  name HN   )(resid   42 and  name HB2  ) 2.5 0.7 0.4
assign (resid   43 and  name HN   )(resid   43 and  name HB1  ) 4.0 2.2 1.0
assign (resid   43 and  name HN   )(resid   43 and  name HB2  ) 2.5 0.7 0.4
assign (resid   44 and  name HN   )(resid   44 and  name HB   ) 4.0 2.2 1.0
assign (resid   45 and  name HN   )(resid   45 and  name HB2  ) 4.0 2.2 1.0
assign (resid   45 and  name HN   )(resid   45 and  name HB1  ) 2.5 0.7 0.4
assign (resid   46 and  name HN   )(resid   46 and  name HB1  ) 3.0 1.2 0.5
assign (resid   46 and  name HN   )(resid   46 and  name HB2  ) 3.0 1.2 0.5
assign (resid   47 and  name HN   )(resid   47 and  name HB1  ) 3.0 1.2 0.5
assign (resid   47 and  name HN   )(resid   47 and  name HB2  ) 3.0 1.2 0.5
assign (resid   48 and  name HN   )(resid   48 and  name HB#  ) 3.0 2.3 1.6 !#
assign (resid   50 and  name HN   )(resid   50 and  name HB1  ) 4.0 2.2 1.0
assign (resid   50 and  name HN   )(resid   50 and  name HB2  ) 4.0 2.2 1.0
assign (resid   51 and  name HN   )(resid   51 and  name HB   ) 2.5 0.7 0.4
assign (resid   52 and  name HN   )(resid   52 and  name HB#  ) 2.5 1.3 1.0 !#
assign (resid   53 and  name HN   )(resid   53 and  name HB   ) 2.5 0.7 0.4
assign (resid   54 and  name HN   )(resid   54 and  name HB   ) 3.0 1.2 0.5
assign (resid   55 and  name HN   )(resid   55 and  name HB   ) 2.5 0.7 0.4
assign (resid   56 and  name HN   )(resid   56 and  name HB#  ) 3.0 1.8 1.1 !#
!Val-methyl to ha and hn
assign (resid   21 and  name HN   )(resid   21 and  name HG*  ) 3.0 2.9 2.2 !#
assign (resid   21 and  name HA   )(resid   21 and  name HG*  ) 3.0 1.8 0.9 !#
assign (resid   29 and  name HA   )(resid   29 and  name HG2# ) 2.5 1.8 1.5 !#
assign (resid   29 and  name HA   )(resid   29 and  name HG1# ) 3.0 2.3 1.6 !#
assign (resid   29 and  name HN   )(resid   29 and  name HG2# ) 2.5 2.2 1.9 !#
assign (resid   29 and  name HN   )(resid   29 and  name HG1# ) 4.0 3.7 2.5 !#
assign (resid   39 and  name HA   )(resid   39 and  name HG1# ) 2.5 1.8 1.5 !#
assign (resid   39 and  name HA   )(resid   39 and  name HG2# ) 3.0 2.3 1.4 !#
assign (resid   39 and  name HN   )(resid   39 and  name HG2# ) 2.5 2.2 1.9 !#
assign (resid   39 and  name HN   )(resid   39 and  name HG1# ) 4.0 3.7 2.5 !#
assign (resid   54 and  name HA   )(resid   54 and  name HG1# ) 4.0 3.3 2.1 !#
assign (resid   54 and  name HA   )(resid   54 and  name HG2# ) 2.5 1.8 1.5 !#
assign (resid   54 and  name HN   )(resid   54 and  name HG1# ) 2.5 2.2 1.9 !#
assign (resid   54 and  name HN   )(resid   54 and  name HG2# ) 4.0 3.7 2.5 !#
!Thr
assign (resid    2 and  name HG2# )(resid    2 and  name HA   ) 3.0 2.3 1.4 !
assign (resid   11 and  name HG2# )(resid   11 and  name HA   ) 2.5 1.8 1.5 !
assign (resid   16 and  name HG2# )(resid   16 and  name HA   ) 3.0 2.3 1.4 !
assign (resid   17 and  name HG2# )(resid   17 and  name HA   ) 2.5 1.8 1.5 !
assign (resid   18 and  name HG2# )(resid   18 and  name HA   ) 4.0 3.3 2.1 !
assign (resid   25 and  name HG2# )(resid   25 and  name HA   ) 2.5 1.8 1.5 !
assign (resid   44 and  name HG2# )(resid   44 and  name HA   ) 2.5 1.8 1.5 !
assign (resid   51 and  name HG2# )(resid   51 and  name HA   ) 2.5 1.8 1.5 !
assign (resid   53 and  name HG2# )(resid   53 and  name HA   ) 2.5 1.8 1.5 !
assign (resid   55 and  name HG2# )(resid   55 and  name HA   ) 4.0 3.3 2.1 !
assign (resid    2 and  name HG2# )(resid    2 and  name HN   ) 4.0 3.7 2.5 !
assign (resid   11 and  name HG2# )(resid   11 and  name HN   ) 3.0 2.7 2.0 !
assign (resid   16 and  name HG2# )(resid   16 and  name HN   ) 3.0 2.7 2.0 !
assign (resid   17 and  name HG2# )(resid   17 and  name HN   ) 3.0 2.7 2.0 !
assign (resid   18 and  name HG2# )(resid   18 and  name HN   ) 3.0 2.7 2.0 !
assign (resid   25 and  name HG2# )(resid   25 and  name HN   ) 4.0 3.7 2.5 !
assign (resid   44 and  name HG2# )(resid   44 and  name HN   ) 3.0 2.7 2.0 !
assign (resid   49 and  name HG2# )(resid   49 and  name HN   ) 3.0 2.7 2.0 !
assign (resid   51 and  name HG2# )(resid   51 and  name HN   ) 4.0 3.7 2.5 !
assign (resid   53 and  name HG2# )(resid   53 and  name HN   ) 4.0 3.7 2.5 !
assign (resid   55 and  name HG2# )(resid   55 and  name HN   ) 4.0 3.7 2.5 !
!Glu
assign (resid   15 and  name HN   )(resid   15 and  name HG#  ) 4.0 3.2 2.0 !#
assign (resid   15 and  name HA   )(resid   15 and  name HG#  ) 3.0 1.8 0.9 !#
assign (resid   19 and  name HN   )(resid   19 and  name HG#  ) 4.0 3.2 2.0 !#
assign (resid   19 and  name HA   )(resid   19 and  name HG1  ) 4.0 2.8 1.6 !#
assign (resid   19 and  name HA   )(resid   19 and  name HG2  ) 4.0 2.8 1.6 !#
assign (resid   27 and  name HA   )(resid   27 and  name HG1  ) 3.0 1.8 0.9 !#
assign (resid   27 and  name HA   )(resid   27 and  name HG2  ) 2.5 1.3 0.8 !#
assign (resid   27 and  name HN   )(resid   27 and  name HG1  ) 2.5 1.7 1.2 !#
assign (resid   27 and  name HN   )(resid   27 and  name HG2  ) 4.0 3.2 2.0 !#
assign (resid   42 and  name HN   )(resid   42 and  name HG#  ) 4.0 3.2 2.0 !#
assign (resid   56 and  name HN   )(resid   56 and  name HG#  ) 3.0 2.2 1.3 !#
assign (resid   56 and  name HA   )(resid   56 and  name HG#  ) 2.5 1.3 0.8 !#
!Met
assign (resid    1 and  name HA   )(resid    1 and  name HG#  ) 3.0 1.8 0.9 !#
!Leu
assign (resid    5 and  name HA   )(resid    5 and  name HD2# ) 4.0 3.7 3.5 !#
assign (resid    5 and  name HA   )(resid    5 and  name HD1# ) 2.5 2.2 1.7 !#
assign (resid    5 and  name HA   )(resid    5 and  name HG   ) 4.0 2.2 1.0
assign (resid    5 and  name HN   )(resid    5 and  name HD2# ) 4.0 3.7 3.5 !#
assign (resid    5 and  name HN   )(resid    5 and  name HD1# ) 4.0 3.7 2.5 !#
assign (resid    7 and  name HA   )(resid    7 and  name HG   ) 2.5 0.7 0.2
assign (resid    7 and  name HN   )(resid    7 and  name HG   ) 3.0 1.2 0.3
assign (resid    7 and  name HA   )(resid    7 and  name HD2# ) 2.5 2.2 1.7 !#
assign (resid    7 and  name HN   )(resid    7 and  name HD1# ) 3.0 2.7 1.8 !#
assign (resid   12 and  name HD1# )(resid   12 and  name HA   ) 3.0 2.7 1.8 !
assign (resid   12 and  name HD2# )(resid   12 and  name HA   ) 4.0 3.7 3.5 !
!Ile
assign (resid    6 and  name HN   )(resid    6 and  name HG11 ) 3.0 2.2 1.3 !#
assign (resid    6 and  name HN   )(resid    6 and  name HG12 ) 3.0 2.2 1.3 !#
assign (resid    6 and  name HN   )(resid    6 and  name HG2# ) 4.0 3.7 2.5 !#
assign (resid    6 and  name HA   )(resid    6 and  name HG2# ) 2.5 1.8 1.3 !#
assign (resid    6 and  name HA   )(resid    6 and  name HD#  ) 4.0 3.7 2.5 !#
assign (resid    6 and  name HA   )(resid    6 and  name HG11 ) 3.0 1.8 0.9 !#
assign (resid    6 and  name HA   )(resid    6 and  name HG12 ) 3.0 1.8 0.9 !#
assign (resid    6 and  name HB   )(resid    6 and  name HD#  ) 3.0 2.7 1.8 !#
assign (resid    6 and  name HB   )(resid    6 and  name HG11 ) 2.5 1.7 1.2 !#
assign (resid    6 and  name HB   )(resid    6 and  name HG12 ) 3.0 2.2 1.3 !#
!
!Lys
assign (resid    4 and  name HA   )(resid    4 and  name HG#  ) 2.5 1.3 0.8 !#
assign (resid   10 and  name HN   )(resid   10 and  name HG#  ) 4.0 3.2 2.0 !#
assign (resid   10 and  name HN   )(resid   10 and  name HD#  ) 4.0 3.2 2.0 !#
assign (resid   13 and  name HN   )(resid   13 and  name HG#  ) 3.0 2.2 1.3 !#
assign (resid   13 and  name HA   )(resid   13 and  name HG#  ) 2.5 1.3 0.8 !#
assign (resid   28 and  name HN   )(resid   28 and  name HG#  ) 4.0 3.2 2.0 !#
assign (resid   28 and  name HA   )(resid   28 and  name HG#  ) 3.0 1.8 0.9 !#
assign (resid   31 and  name HN   )(resid   31 and  name HG1  ) 4.0 3.2 2.0 !#
assign (resid   31 and  name HA   )(resid   31 and  name HG#  ) 2.5 1.3 0.8 !#
assign (resid   31 and  name HA   )(resid   31 and  name HD#  ) 4.0 3.2 2.0 !#
assign (resid   31 and  name HN   )(resid   31 and  name HG2  ) 4.0 3.2 2.0 !#
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 2.0 !#
assign (resid   50 and  name HA   )(resid   50 and  name HG#  ) 3.0 1.8 0.9 !#
assign (resid   50 and  name HA   )(resid   50 and  name HD#  ) 4.0 3.2 2.0 !#
assign (resid   50 and  name HG#  )(resid   50 and  name HE#  ) 4.0 4.2 3.0 ! !#
!Gln and Asn side chain amides
assign (resid    8 and  name HD21 )(resid    8 and  name HB1  ) 3.0 2.2 0.3 !
assign (resid    8 and  name HD22 )(resid    8 and  name HB2  ) 3.0 2.2 0.3 !
assign (resid   32 and  name HA   )(resid   32 and  name HE21 ) 4.0 3.2 2.0 !#
assign (resid   35 and  name HA   )(resid   35 and  name HD21 ) 4.0 3.2 1.0 !#
assign (resid   35 and  name HD21 )(resid   35 and  name HB#  ) 4.0 4.2 2.0 ! !#
assign (resid   37 and  name HD21 )(resid   37 and  name HB2  ) 2.5 1.7 0.2 !
assign (resid   37 and  name HD21 )(resid   37 and  name HB1  ) 4.0 3.2 1.0 !
assign (resid   37 and  name HD22 )(resid   37 and  name HB2  ) 4.0 3.2 1.0 !
!aromatic
assign (resid    3 and  name HD1  )(resid    3 and  name HN   ) 3.0 1.2 0.3
assign (resid   30 and  name HD2  )(resid   30 and  name HN   ) 3.0 1.2 0.5
assign (resid   33 and  name HD1  )(resid   33 and  name HN   ) 4.0 2.2 1.0
assign (resid   33 and  name HD2  )(resid   33 and  name HN   ) 4.0 2.2 1.0
assign (resid   43 and  name HD1  )(resid   43 and  name HN   ) 3.0 1.2 0.3
assign (resid   52 and  name HD2  )(resid   52 and  name HN   ) 3.0 1.2 0.3
assign (resid    3 and  name HD2  )(resid    3 and  name HA   ) 3.0 1.2 0.3
assign (resid   30 and  name HD1  )(resid   30 and  name HA   ) 2.5 0.7 0.2
assign (resid   33 and  name HD2  )(resid   33 and  name HA   ) 3.0 1.2 0.3
assign (resid   43 and  name HD1  )(resid   43 and  name HA   ) 3.0 1.2 0.5
assign (resid   43 and  name HE3  )(resid   43 and  name HA   ) 3.0 1.2 0.5
assign (resid   45 and  name HD#  )(resid   45 and  name HA   ) 3.0 3.2 2.3 !
assign (resid   52 and  name HD#  )(resid   52 and  name HA   ) 3.0 3.2 2.3 !
assign (resid    3 and  name HD2  )(resid    3 and  name HB1  ) 2.5 0.7 0.2
assign (resid    3 and  name HD1  )(resid    3 and  name HB2  ) 2.5 0.7 0.2
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  ) 3.0 1.2 0.3
assign (resid   33 and  name HD2  )(resid   33 and  name HB2  ) 2.5 0.7 0.2
assign (resid   33 and  name HD1  )(resid   33 and  name HB1  ) 2.5 0.7 0.2
assign (resid   43 and  name HE3  )(resid   43 and  name HB1  ) 2.5 0.7 0.2
assign (resid   43 and  name HD1  )(resid   43 and  name HB2  ) 2.5 0.7 0.2
assign (resid   45 and  name HD2  )(resid   45 and  name HB2  ) 4.0 2.2 1.0
assign (resid   45 and  name HD1  )(resid   45 and  name HB1  ) 3.0 1.2 0.3
assign (resid   52 and  name HD2  )(resid   52 and  name HB2  ) 3.0 1.2 0.3
assign (resid   52 and  name HD1  )(resid   52 and  name HB1  ) 2.5 0.7 0.2
!
!hbonds
assign (resid   20 and  name N    )(resid    1 and  name O    ) 3.3 0.8 0.2
assign (resid    3 and  name N    )(resid   18 and  name O    ) 3.3 0.8 0.2
assign (resid   18 and  name N    )(resid    3 and  name O    ) 3.3 0.8 0.2
assign (resid    5 and  name N    )(resid   16 and  name O    ) 3.3 0.8 0.2
assign (resid   16 and  name N    )(resid    5 and  name O    ) 3.3 0.8 0.2
assign (resid    7 and  name N    )(resid   14 and  name O    ) 3.3 0.8 0.2
assign (resid   14 and  name N    )(resid    7 and  name O    ) 3.3 0.8 0.2
assign (resid    9 and  name N    )(resid   12 and  name O    ) 3.3 0.8 0.2
assign (resid   12 and  name N    )(resid    9 and  name O    ) 3.3 0.8 0.2
assign (resid    4 and  name N    )(resid   50 and  name O    ) 3.3 0.8 0.2
assign (resid   52 and  name N    )(resid    4 and  name O    ) 3.3 0.8 0.2
assign (resid    6 and  name N    )(resid   52 and  name O    ) 3.3 0.8 0.2
assign (resid   54 and  name N    )(resid    6 and  name O    ) 3.3 0.8 0.2
assign (resid    8 and  name N    )(resid   54 and  name O    ) 3.3 0.8 0.2
assign (resid   42 and  name N    )(resid   55 and  name O    ) 3.3 0.8 0.2
assign (resid   55 and  name N    )(resid   42 and  name O    ) 3.3 0.8 0.2
assign (resid   44 and  name N    )(resid   53 and  name O    ) 3.3 0.8 0.2
assign (resid   53 and  name N    )(resid   44 and  name O    ) 3.3 0.8 0.2
assign (resid   46 and  name N    )(resid   51 and  name O    ) 3.3 0.8 0.2
assign (resid   50 and  name N    )(resid   46 and  name O    ) 3.3 0.8 0.2
assign (resid   51 and  name N    )(resid   46 and  name O    ) 3.3 0.8 0.2
assign (resid   22 and  name O    )(resid   26 and  name N    ) 3.3 0.8 0.2
assign (resid   23 and  name O    )(resid   27 and  name N    ) 3.3 0.8 0.2
assign (resid   24 and  name O    )(resid   28 and  name N    ) 3.3 0.8 0.2
assign (resid   25 and  name O    )(resid   29 and  name N    ) 3.3 0.8 0.2
assign (resid   26 and  name O    )(resid   30 and  name N    ) 3.3 0.8 0.2
assign (resid   27 and  name O    )(resid   31 and  name N    ) 3.3 0.8 0.2
assign (resid   28 and  name O    )(resid   32 and  name N    ) 3.3 0.8 0.2
assign (resid   29 and  name O    )(resid   33 and  name N    ) 3.3 0.8 0.2
assign (resid   30 and  name O    )(resid   34 and  name N    ) 3.3 0.8 0.2
assign (resid   31 and  name O    )(resid   35 and  name N    ) 3.3 0.8 0.2
assign (resid   34 and  name O    )(resid   39 and  name N    ) 3.3 0.8 0.2
assign (resid   22 and  name OD2  )(resid   25 and  name N    ) 3.3 0.8 0.2
assign (resid   20 and  name HN   )(resid    1 and  name O    ) 2.3 0.8 0.2
assign (resid    3 and  name HN   )(resid   18 and  name O    ) 2.3 0.8 0.2
assign (resid   18 and  name HN   )(resid    3 and  name O    ) 2.3 0.8 0.2
assign (resid    5 and  name HN   )(resid   16 and  name O    ) 2.3 0.8 0.2
assign (resid   16 and  name HN   )(resid    5 and  name O    ) 2.3 0.8 0.2
assign (resid    7 and  name HN   )(resid   14 and  name O    ) 2.3 0.8 0.2
assign (resid   14 and  name HN   )(resid    7 and  name O    ) 2.3 0.8 0.2
assign (resid    9 and  name HN   )(resid   12 and  name O    ) 2.3 0.8 0.2
assign (resid   12 and  name HN   )(resid    9 and  name O    ) 2.3 0.8 0.2
assign (resid    4 and  name HN   )(resid   50 and  name O    ) 2.3 0.8 0.2
assign (resid   52 and  name HN   )(resid    4 and  name O    ) 2.3 0.8 0.2
assign (resid    6 and  name HN   )(resid   52 and  name O    ) 2.3 0.8 0.2
assign (resid   54 and  name HN   )(resid    6 and  name O    ) 2.3 0.8 0.2
assign (resid    8 and  name HN   )(resid   54 and  name O    ) 2.3 0.8 0.2
assign (resid   42 and  name HN   )(resid   55 and  name O    ) 2.3 0.8 0.2
assign (resid   55 and  name HN   )(resid   42 and  name O    ) 2.3 0.8 0.2
assign (resid   44 and  name HN   )(resid   53 and  name O    ) 2.3 0.8 0.2
assign (resid   53 and  name HN   )(resid   44 and  name O    ) 2.3 0.8 0.2
assign (resid   46 and  name HN   )(resid   51 and  name O    ) 2.3 0.8 0.2
assign (resid   50 and  name HN   )(resid   46 and  name O    ) 2.3 0.8 0.2
assign (resid   51 and  name HN   )(resid   46 and  name O    ) 2.3 0.8 0.2
assign (resid   22 and  name O    )(resid   26 and  name HN   ) 2.3 0.8 0.2
assign (resid   23 and  name O    )(resid   27 and  name HN   ) 2.3 0.8 0.2
assign (resid   24 and  name O    )(resid   28 and  name HN   ) 2.3 0.8 0.2
assign (resid   25 and  name O    )(resid   29 and  name HN   ) 2.3 0.8 0.2
assign (resid   26 and  name O    )(resid   30 and  name HN   ) 2.3 0.8 0.2
assign (resid   27 and  name O    )(resid   31 and  name HN   ) 2.3 0.8 0.2
assign (resid   28 and  name O    )(resid   32 and  name HN   ) 2.3 0.8 0.2
assign (resid   29 and  name O    )(resid   33 and  name HN   ) 2.3 0.8 0.2
assign (resid   30 and  name O    )(resid   34 and  name HN   ) 2.3 0.8 0.2
assign (resid   31 and  name O    )(resid   35 and  name HN   ) 2.3 0.8 0.2
assign (resid   34 and  name O    )(resid   39 and  name HN   ) 2.3 0.8 0.2
assign (resid   22 and  name OD2  )(resid   25 and  name HN   ) 2.3 0.8 0.2
assign (resid   46 and  name OD2  )(resid   48 and  name HN   ) 2.3 0.8 0.2
assign (resid   46 and  name OD2  )(resid   48 and  name N    ) 3.3 0.8 0.2
set echo=true end
set wrnlev=5 end
 
 
 
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.
 
!!
!! Phi restraints: minimum deviation = 30 degrees
 
  !!    2
 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 40.0 2
  !!    3
 assign (resid   2 and name c )   (resid   3 and name n )
        (resid   3 and name ca)   (resid   3 and name c )  1.0 -115.0 30.0 2
  !!    4
 assign (resid   3 and name c )   (resid   4 and name n )
        (resid   4 and name ca)   (resid   4 and name c )  1.0 -120.0 35.0 2
  !!    5
 assign (resid   4 and name c )   (resid   5 and name n )
        (resid   5 and name ca)   (resid   5 and name c )  1.0 -110.0 30.0 2
  !!    6
 assign (resid   5 and name c )   (resid   6 and name n )
        (resid   6 and name ca)   (resid   6 and name c )  1.0 -120.0 30.0 2
  !!    7
 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 40.0 2
  !!    8
 assign (resid   7 and name c )   (resid   8 and name n )
        (resid   8 and name ca)   (resid   8 and name c )  1.0 -135.0 35.0 2
  !!    9
 assign (resid   8 and name c )   (resid   9 and name n )
        (resid   9 and name ca)   (resid   9 and name c )  1.0 -95.0 80.0 2
  !!    10
 assign (resid   9 and name c )   (resid   10 and name n )
        (resid   10 and name ca)   (resid   10 and name c )  1.0 -70.0 30.0 2
  !!    11
 assign (resid   10 and name c )   (resid   11 and name n )
        (resid   11 and name ca)   (resid   11 and name c )  1.0 -120.0 30.0 2
  !!    12
 assign (resid   11 and name c )   (resid   12 and name n )
        (resid   12 and name ca)   (resid   12 and name c )  1.0 -120.0 55.0 2
  !!    13
 assign (resid   12 and name c )   (resid   13 and name n )
        (resid   13 and name ca)   (resid   13 and name c )  1.0 -120.0 35.0 2
  !!    14
 assign (resid   13 and name c )   (resid   14 and name n )
        (resid   14 and name ca)   (resid   14 and name c )  1.0 -95.0 80.0 2
  !!    15
 assign (resid   14 and name c )   (resid   15 and name n )
        (resid   15 and name ca)   (resid   15 and name c )  1.0 -125.0 50.0 2
  !!    16
 assign (resid   15 and name c )   (resid   16 and name n )
        (resid   16 and name ca)   (resid   16 and name c )  1.0 -120.0 55.0 2
  !!    17
 assign (resid   16 and name c )   (resid   17 and name n )
        (resid   17 and name ca)   (resid   17 and name c )  1.0 -120.0 35.0 2
  !!    18
 assign (resid   17 and name c )   (resid   18 and name n )
        (resid   18 and name ca)   (resid   18 and name c )  1.0 -115.0 60.0 2
  !!    19
 assign (resid   18 and name c )   (resid   19 and name n )
        (resid   19 and name ca)   (resid   19 and name c )  1.0 -120.0 35.0 2
  !!    20
 assign (resid   19 and name c )   (resid   20 and name n )
        (resid   20 and name ca)   (resid   20 and name c )  1.0 -110.0 30.0 2
  !!    21
 assign (resid   20 and name c )   (resid   21 and name n )
        (resid   21 and name ca)   (resid   21 and name c )  1.0 -70.0 30.0 2
  !!    22
 assign (resid   21 and name c )   (resid   22 and name n )
        (resid   22 and name ca)   (resid   22 and name c )  1.0 -115.0 60.0 2
  !!    23
 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
 assign (resid   23 and name c )   (resid   24 and name n )
        (resid   24 and name ca)   (resid   24 and name c )  1.0 -65.0 30.0 2
  !!    25
 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 30.0 2
  !!    26
 assign (resid   25 and name c )   (resid   26 and name n )
        (resid   26 and name ca)   (resid   26 and name c )  1.0 -60.0 30.0 2
  !!    27
 assign (resid   26 and name c )   (resid   27 and name n )
        (resid   27 and name ca)   (resid   27 and name c )  1.0 -70.0 30.0 2
  !!    28
 assign (resid   27 and name c )   (resid   28 and name n )
        (resid   28 and name ca)   (resid   28 and name c )  1.0 -70.0 30.0 2
  !!    29
 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
 assign (resid   29 and name c )   (resid   30 and name n )
        (resid   30 and name ca)   (resid   30 and name c )  1.0 -70.0 35.0 2
  !!    31
 assign (resid   30 and name c )   (resid   31 and name n )
        (resid   31 and name ca)   (resid   31 and name c )  1.0 -60.0 30.0 2
  !!    32
 assign (resid   31 and name c )   (resid   32 and name n )
        (resid   32 and name ca)   (resid   32 and name c )  1.0 -70.0 30.0 2
  !!    33
 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 30.0 2
  !!    34
 assign (resid   33 and name c )   (resid   34 and name n )
        (resid   34 and name ca)   (resid   34 and name c )  1.0 -70.0 30.0 2
  !!    35
 assign (resid   34 and name c )   (resid   35 and name n )
        (resid   35 and name ca)   (resid   35 and name c )  1.0 -60.0 30.0 2
  !!    36
 assign (resid   35 and name c )   (resid   36 and name n )
        (resid   36 and name ca)   (resid   36 and name c )  1.0 -60.0 30.0 2
  !!    37
 assign (resid   36 and name c )   (resid   37 and name n )
        (resid   37 and name ca)   (resid   37 and name c )  1.0 -110.0 30.0 2
  !!    38
 assign (resid   37 and name c )   (resid   38 and name n )
        (resid   38 and name ca)   (resid   38 and name c )  1.0 65.0 60.0 2
  !!    39
 assign (resid   38 and name c )   (resid   39 and name n )
        (resid   39 and name ca)   (resid   39 and name c )  1.0 -115.0 30.0 2
  !!    40
 assign (resid   39 and name c )   (resid   40 and name n )
        (resid   40 and name ca)   (resid   40 and name c )  1.0 -120.0 45.0 2
  !!    42
 assign (resid   41 and name c )   (resid   42 and name n )
        (resid   42 and name ca)   (resid   42 and name c )  1.0 -115.0 40.0 2
  !!    43
 assign (resid   42 and name c )   (resid   43 and name n )
        (resid   43 and name ca)   (resid   43 and name c )  1.0 -120.0 35.0 2
  !!    44
 assign (resid   43 and name c )   (resid   44 and name n )
        (resid   44 and name ca)   (resid   44 and name c )  1.0 -120.0 45.0 2
  !!    45
 assign (resid   44 and name c )   (resid   45 and name n )
        (resid   45 and name ca)   (resid   45 and name c )  1.0 -120.0 35.0 2
  !!    46
 assign (resid   45 and name c )   (resid   46 and name n )
        (resid   46 and name ca)   (resid   46 and name c )  1.0 -125.0 30.0 2
  !!    47
 assign (resid   46 and name c )   (resid   47 and name n )
        (resid   47 and name ca)   (resid   47 and name c )  1.0 -65.0 30.0 2
  !!    48
 assign (resid   47 and name c )   (resid   48 and name n )
        (resid   48 and name ca)   (resid   48 and name c )  1.0 -70.0 30.0 2
  !!    49
 assign (resid   48 and name c )   (resid   49 and name n )
        (resid   49 and name ca)   (resid   49 and name c )  1.0 -130.0 35.0 2
  !!    50
 assign (resid   49 and name c )   (resid   50 and name n )
        (resid   50 and name ca)   (resid   50 and name c )  1.0  60.0 35.0 2
  !!    51
 assign (resid   50 and name c )   (resid   51 and name n )
        (resid   51 and name ca)   (resid   51 and name c )  1.0 -120.0 35.0 2
  !!    52
 assign (resid   51 and name c )   (resid   52 and name n )
        (resid   52 and name ca)   (resid   52 and name c )  1.0 -120.0 40.0 2
  !!    53
 assign (resid   52 and name c )   (resid   53 and name n )
        (resid   53 and name ca)   (resid   53 and name c )  1.0 -120.0 40.0 2
  !!    54
 assign (resid   53 and name c )   (resid   54 and name n )
        (resid   54 and name ca)   (resid   54 and name c )  1.0 -120.0 35.0 2
  !!    55
 assign (resid   54 and name c )   (resid   55 and name n )
        (resid   55 and name ca)   (resid   55 and name c )  1.0 -120.0 30.0 2
  !!    56
 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 50.0 2
 
 
!!chi
  !!2
assign (resid 2 and name n)    (resid 2 and name ca)
       (resid 2 and name cb)   (resid 2 and name og1) 1.0 -60.0 30.0 2
  !!3
assign (resid 3 and name n)    (resid 3 and name ca)
       (resid 3 and name cb)   (resid 3 and name cg) 1.0 -60.0 20.0 2
  !!4
assign (resid 4 and name n)    (resid 4 and name ca)
       (resid 4 and name cb)   (resid 4 and name cg) 1.0 180.0 30.0 2
  !!5
assign (resid 5 and name n)    (resid 5 and name ca)
       (resid 5 and name cb)   (resid 5 and name cg) 1.0 -180.0 30.0 2
  !!6
assign (resid 6 and name n)    (resid 6 and name ca)
       (resid 6 and name cb)   (resid 6 and name cg1) 1.0 -60.0 30.0 2
  !!7
assign (resid 7 and name n)    (resid 7 and name ca)
       (resid 7 and name cb)   (resid 7 and name cg) 1.0 -60.0 20.0 2
  !!11
assign (resid 11 and name n)    (resid 11 and name ca)
       (resid 11 and name cb)   (resid 11 and name og1) 1.0 60.0 30.0 2
  !!12
assign (resid 12 and name n)    (resid 12 and name ca)
       (resid 12 and name cb)   (resid 12 and name cg) 1.0 180.0 20.0 2
  !!13
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
  !!16
assign (resid 16 and name n)    (resid 16 and name ca)
       (resid 16 and name cb)   (resid 16 and name og1) 1.0 180.0 20.0 2
  !!17
assign (resid 17 and name n)    (resid 17 and name ca)
       (resid 17 and name cb)   (resid 17 and name og1) 1.0 60.0 20.0 2
  !!18
assign (resid 18 and name n)    (resid 18 and name ca)
       (resid 18 and name cb)   (resid 18 and name og1) 1.0 180.0 20.0 2
  !!19
assign (resid 19 and name n)    (resid 19 and name ca)
       (resid 19 and name cb)   (resid 19 and name cg) 1.0 -120.0 90.0 2
  !!21
assign (resid 21 and name n)    (resid 21 and name ca)
       (resid 21 and name cb)   (resid 21 and name cg1) 1.0 60.0 20.0 2
  !!22
assign (resid 22 and name n)    (resid 22 and name ca)
      (resid 22 and name cb)   (resid 22 and name cg) 1.0 60.0 30.0 2
  !!25
assign (resid 25 and name n)    (resid 25 and name ca)
       (resid 25 and name cb)   (resid 25 and name og1) 1.0 -180.0 30.0 2
  !!27
assign (resid 27 and name n)    (resid 27 and name ca)
       (resid 27 and name cb)   (resid 27 and name cg) 1.0 -65.0 25.0 2
  !!29
assign (resid 29 and name n)    (resid 29 and name ca)
       (resid 29 and name cb)   (resid 29 and name cg1) 1.0 185.0 30.0 2
  !!30
assign (resid 30 and name n)    (resid 30 and name ca)
       (resid 30 and name cb)   (resid 30 and name cg) 1.0 -75.0 30.0 2
  !!31
assign (resid 31 and name n)    (resid 31 and name ca)
       (resid 31 and name cb)   (resid 31 and name cg) 1.0 180.0 30.0 2
  !!32
assign (resid 32 and name n)    (resid 32 and name ca)
       (resid 32 and name cb)   (resid 32 and name cg) 1.0 175.0 25.0 2
  !!33
assign (resid 33 and name n)    (resid 33 and name ca)
       (resid 33 and name cb)   (resid 33 and name cg) 1.0 180.0 30.0 2
  !!36
assign (resid 36 and name n)    (resid 36 and name ca)
       (resid 36 and name cb)   (resid 36 and name cg) 1.0 -70.0 30.0 2
  !!37
assign (resid 37 and name n)    (resid 37 and name ca)
       (resid 37 and name cb)   (resid 37 and name cg) 1.0 -60.0 30.0 2
  !!39
assign (resid 39 and name n)    (resid 39 and name ca)
       (resid 39 and name cb)   (resid 39 and name cg1) 1.0 180.0 30.0 2
  !!40
assign (resid 40 and name n)    (resid 40 and name ca)
       (resid 40 and name cb)   (resid 40 and name cg) 1.0 -60.0 40.0 2
  !!42
assign (resid 42 and name n)    (resid 42 and name ca)
       (resid 42 and name cb)   (resid 42 and name cg) 1.0 -65.0 30.0 2
  !!43
assign (resid 43 and name n)    (resid 43 and name ca)
       (resid 43 and name cb)   (resid 43 and name cg) 1.0 -60.0 20.0 2
  !!44
assign (resid 44 and name n)    (resid 44 and name ca)
       (resid 44 and name cb)   (resid 44 and name og1) 1.0 65.0 25.0 2
  !!45
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
assign (resid 46 and name n)    (resid 46 and name ca)
       (resid 46 and name cb)   (resid 46 and name cg) 1.0 190.0 30.0 2
  !!47
assign (resid 47 and name n)    (resid 47 and name ca)
       (resid 47 and name cb)   (resid 47 and name cg) 1.0 175.0 25.0 2
  !!49
assign (resid 49 and name n)    (resid 49 and name ca)
       (resid 49 and name cb)   (resid 49 and name og1) 1.0 60.0 30.0 2
  !!50
assign (resid 50 and name n)    (resid 50 and name ca)
       (resid 50 and name cb)   (resid 50 and name cg) 1.0 -75.0 30.0 2
  !!51
assign (resid 51 and name n)    (resid 51 and name ca)
       (resid 51 and name cb)   (resid 51 and name og1) 1.0 -60.0 30.0 2
  !!52
assign (resid 52 and name n)    (resid 52 and name ca)
       (resid 52 and name cb)   (resid 52 and name cg) 1.0 -75.0 40.0 2
  !!53
assign (resid 53 and name n)    (resid 53 and name ca)
       (resid 53 and name cb)   (resid 53 and name og1) 1.0 -60.0 20.0 2
  !!54
assign (resid 54 and name n)    (resid 54 and name ca)
       (resid 54 and name cb)   (resid 54 and name cg1) 1.0 65.0 30.0 2
  !!55
assign (resid 55 and name n)    (resid 55 and name ca)
       (resid 55 and name cb)   (resid 55 and name og1) 1.0 -60.0 20.0 2
  !!56
!assign (resid 56 and name n)    (resid 56 and name ca)
!       (resid 56 and name cb)   (resid 56 and name cg) 1.0 disordered
 
 
 
C. 1H and 15N resonance assignments of the B1 domain of protein G at 25C
   and pH 4.34
 
The sample comprises two forms in a 7:3 mixture with and without the
N-terminal Met. Where the chemical shifts of the latter are different from the
former, a separate entry denoted by (m)is included to indicate the
minor form (i.e. without the N-terminal Met).
 
15N shifts are given only for the major species
 
Stereospecific assignments are denoted as follows: for the Ca methylene
protons of Gly, the asterisk indicates the Ha1 proton; for the Cb methylene
protons, the asterisk indicates the Hb3 proton; for the methyl groups of Val
and Leu, the asterisk indicates the Cg1H3 and Cd1H3 groups, respectively; for
the NH2 protons of Asn and Gln, the asterisk indicates the Hd21 and He21
protons, respectively, which are cis to Cb and Cg, respectively.
 
________________________________________________________________________________
   _
Residue          Chemical shift (ppm)
        15N     NH      CaH     CbH             Others
________________________________________________________________________________
   _
M1                      4.22    22.24,2.09      CgH 2.17,2.43
T2      120.8   8.38    4.86    3.86            CgH 1.19
T2(m)           8.30    3.78    3.95            CgH 1.31
Y3      125.7   9.19    5.34    3.37*,2.53      CdH 7.10; CeH 6.91
Y3(m)           9.15    5.25    3.34*,2.66      CdH 7.16; CeH 7.06
K4      121.5   9.08    5.22    1.99*,1.92      CgH 1.44,1.35; CdH 1.59,1.59;
                                                CeH 2.83,2.79
K4(m)           9.15    5.22    1.99*,1.92      CgH 1.44,1.35; CdH 1.59,1.59;
                                                CeH 2.83,2.79
L5      125.4   8.59    4.95    0.76*,-1.17     CgH 0.84; CdH 0.36,0.31*
I6      126.4   9.10    4.31    1.97            CgH 1.39,1.03; CgmH 0.76; CdH 0.
   73
L7      125.7   8.63    4.46    1.45,1.33*      CgH 1.28; CdH 0.74,0.74
N8      125.7   8.85    5.23    2.96,2.49       NdH 7.14*,6.76
G9      109.2   7.87    4.37*,4.02
K10     120.2   8.98    4.06    1.82,1.82       CgH 1.47,1.43; CdH 1.67,1.67;
                                                CeH 2.96,2.96
T11     108.4   8.63    4.37    4.02            CgH 1.12
L12     124.8   7.32    4.44    1.52*,1.41      CgH 1.41; CdH 0.86*, 0.77
K13     123.9   8.15    5.11    1.88*,1.72      CgH 1.44,1.44; CdH 1.66,1.66;
                                                CeH 2.99,2.90
G14     109.1   8.37    4.27,4.15
E15     119.1   8.41    5.60    1.99,1.99       CgH 2.34,2.29
T16     116.6   8.71    4.70    3.91            CgH 0.42
T16(m)          8.63    4.69    3.88            CgH 0.42
T17     111.2   8.09    5.81    4.31            CgH 1.18
T17(m)          8.06    5.79    4.28            CgH 1.18
T18     114.5   9.03    5.82    4.66            CgH 0.46
T18(m)          8.95    5.79    4.72            CgH 0.50
E19     124.8   7.94    5.27    1.94,1.94       CgH 2.30,2.19
E19(m)          8.21    4.96    2.14,1.85       CgH 2.39,2.32
A20     126.1   9.24    4.89    1.32
A20(m)          8.57    4.60    1.19
V21     115.5   8.50    4.12    2.19            CgH 0.99,0.99
V21(m)          8.33    4.05    2.19            CgH 0.98,0.98
D22     115.1   7.30    4.76    3.01,2.97*
A23     116.2   8.25    3.26    1.15
A23(m)          8.41    3.36    1.22
A24     120.3   8.06    3.92    1.27
A24(m)          8.11    3.93    1.28
T25     121.4   8.26    3.67    3.99            CgH 1.20
T25(m)          8.31    3.67    3.99            CgH 1.20
A26     123.4   7.16    3.10    0.53
A26(m)          7.34    3.06    0.49
E27     116.1   8.32    2.67    1.78,1.73       CgH 1.83,1.53
E27(m)          8.26    2.67    1.78,1.73       CgH 1.83,1.53
K28     117.1   6.99    3.69    1.83,1.79       CgH 1.50,1.50; CdH 1.58,1.58;
                                                CeH 2.86,2.86
K28(m)          6.98    3.69    1.83,1.79       CgH 1.50,1.50; CdH 1.58,1.58;
                                                CeH 2.86,2.86
V29     120.6   7.24    3.61    1.17            CgH 0.89,0.80*
V29(m)          7.38    3.62    1.78            CgH 0.89,0.80*
F30     120.4   8.47    4.77    3.37*,2.87      CdH 6.58; CeH 7.07; CzH 7.19
K31     122.8   9.05    4.16    1.63,1.54*      CgH 0.77,0.49; CdH 1.06,1.06;
                                                CeH 1.98,1.98
K31(m)          9.08    4.16    1.63,1.54*      CgH 0.77,0.49; CdH 1.06,1.06;
                                                CeH 1.98,1.98
Q32     119.5   7.37    4.05    2.24*,2.20      CgH 2.38,2.43; NeH 7.80,6.87
Q32(m)          7.41    4.05    2.24*,2.20      CgH 2.38,2.43; NeH 7.80,6.87
Y33     121.0   8.20    4.29    3.29,3.29       CdH 6.95; CeH 6.69
Y33(m)          8.76    4.29    3.29,3.29       CdH 6.95; CeH 6.69
A34     122.6   9.22    3.78    1.82
N35     117.6   8.32    4.00    2.95,2.90       NdH 7.61,6.97
N35(m)          8.36    4.01    2.95,2.90       NdH 7.61,6.97
D36     120.7   8.81    4.37    2.78,2.64*
N37     115.6   7.37    4.60    2.69*,2.08      NdH 6.60*,6.26
G38     107.8   7.76    3.93*,3.89
V39     120.7   8.12    4.11    1.74            CgH 0.80,0.64*
D40     126.3   8.32    4.90    2.80,2.66*
G41     106.8   7.90    4.22,3.67*
E42     120.1   8.18    4.73    2.09*,2.00      CgH 2.28,2.21
W43     127.8   9.29    5.28    3.27*,3.15      Ce3H 7.53; Cz2H 7.31; ChH 6.60;
                                                Cz3H 6.57; Cd1H 7.52; Ne1H 10.50
T44     115.1   9.26    4.82    4.23            CgH 1.19
Y45     120.7   8.59    4.95    2.86,2.52*      CdH 5.90; CeH 6.32
D46     128.0   7.59    4.58    2.64*,2.28
D46(m)          7.65    4.59    2.63*,2.29
D47     124.6   8.56    4.09    2.81,2.52*
D47(m)          8.49    4.02    2.78,2.54*
A48     120.0   8.27    4.09    1.48
A48(m)          8.22    4.08    1.47
T49     103.2   6.93    4.37    4.37            CgH 1.04
T49(m)          6.96    4.39    4.39            CgH 1.04
K50     123.1   7.83    4.17    2.05*,1.99
T51     111.0   7.36    5.46    3.73            CgH 0.97
T51(m)          7.35    5.47    3.73            CgH 0.97
F52     130.8   10.31   5.66    3.27,3.23*      CdH 7.73; CeH 7.06; CzH 6.90
T53     117.4   9.07    5.18    3.78            CgH 0.94
V54     124.0   8.22    4.47    -0.18           CgH 0.36*,-0.39
T55     123.6   8.33    4.67    3.84            CgH 0.38
E56     132.6   7.87    4.33    2.15,1.93       CgH 2.44,2.44
________________________________________________________________________________
 
  Entry H atom name         Orig H atom name
  Start of MODEL           1
 Raw file had 423 H/Q atoms
  Entry Start of MODEL    1
    1   1H    MET   1           HT3      MET   1 -13.516   2.133   3.809
    2   2H    MET   1           HT2      MET   1 -14.346   1.281   2.598
    3   3H    MET   1           HT1      MET   1 -15.022   1.427   4.149
    4    HA   MET   1           HA       MET   1 -13.926  -0.320   4.920
    5   1HB   MET   1           HB2      MET   1 -12.800  -0.765   2.161
    6   2HB   MET   1           HB1      MET   1 -13.329  -1.964   3.335
    7   1HG   MET   1           HG2      MET   1 -15.174  -1.969   1.991
    8   2HG   MET   1           HG1      MET   1 -15.634  -0.696   3.089
    9   1HE   MET   1           HE3      MET   1 -17.376   0.387   1.918
   10   2HE   MET   1           HE2      MET   1 -17.416   0.766   0.196
   11   3HE   MET   1           HE1      MET   1 -17.359  -0.914   0.728
   12    H    THR   2           HN       THR   2 -11.625  -1.573   4.628
   13    HA   THR   2           HA       THR   2  -9.458   0.459   4.511
   14    HB   THR   2           HB       THR   2  -9.743  -1.444   6.870
   15    HG1  THR   2           HG1      THR   2 -10.535   1.235   6.354
   16   1HG2  THR   2          HG22      THR   2  -7.507  -0.134   6.077
   17   2HG2  THR   2          HG21      THR   2  -8.319   1.188   6.912
   18   3HG2  THR   2          HG23      THR   2  -7.930  -0.295   7.779
   19    OH   TYR   3           OH       TYR   3 -11.615   0.333  -0.828
   20    H    TYR   3           HN       TYR   3  -7.815  -0.317   3.337
   21    HA   TYR   3           HA       TYR   3  -7.683  -3.267   2.883
   22   1HB   TYR   3           HB2      TYR   3  -6.094  -1.227   1.347
   23   2HB   TYR   3           HB1      TYR   3  -6.624  -2.820   0.834
   24    HD1  TYR   3           HD1      TYR   3  -7.909   0.560   1.761
   25    HD2  TYR   3           HD2      TYR   3  -8.690  -3.078  -0.293
   26    HE1  TYR   3           HE1      TYR   3  -9.945   1.535   0.804
   27    HE2  TYR   3           HE2      TYR   3 -10.724  -2.103  -1.251
   28    HH   TYR   3           HH       TYR   3 -12.046  -0.341  -1.359
   29    H    LYS   4           HN       LYS   4  -5.591  -4.320   2.908
   30    HA   LYS   4           HA       LYS   4  -3.784  -3.101   4.949
   31   1HB   LYS   4           HB2      LYS   4  -4.922  -5.531   5.007
   32   2HB   LYS   4           HB1      LYS   4  -3.492  -5.937   4.078
   33   1HG   LYS   4           HG2      LYS   4  -2.293  -4.500   6.012
   34   2HG   LYS   4           HG1      LYS   4  -3.699  -5.041   6.919
   35   1HD   LYS   4           HD2      LYS   4  -1.801  -6.858   5.393
   36   2HD   LYS   4           HD1      LYS   4  -1.798  -6.626   7.137
   37   1HE   LYS   4           HE2      LYS   4  -3.279  -8.335   7.237
   38   2HE   LYS   4           HE1      LYS   4  -4.461  -7.219   6.567
   39   1HZ   LYS   4           HZ3      LYS   4  -2.729  -8.397   4.599
   40   2HZ   LYS   4           HZ2      LYS   4  -3.688  -9.528   5.428
   41   3HZ   LYS   4           HZ1      LYS   4  -4.420  -8.235   4.606
   42    H    LEU   5           HN       LEU   5  -1.849  -2.348   4.290
   43    HA   LEU   5           HA       LEU   5  -0.987  -2.958   1.538
   44   1HB   LEU   5           HB2      LEU   5  -0.732  -0.652   1.988
   45   2HB   LEU   5           HB1      LEU   5  -0.194  -0.936   3.637
   46    HG   LEU   5           HG       LEU   5   2.009  -1.741   2.803
   47   1HD1  LEU   5          HD13      LEU   5   0.608  -1.930   0.296
   48   2HD1  LEU   5          HD12      LEU   5   1.922  -0.791   0.108
   49   3HD1  LEU   5          HD11      LEU   5   2.250  -2.428   0.653
   50   1HD2  LEU   5          HD23      LEU   5   1.591   0.681   3.256
   51   2HD2  LEU   5          HD22      LEU   5   2.834   0.415   2.039
   52   3HD2  LEU   5          HD21      LEU   5   1.217   0.899   1.551
   53    H    ILE   6           HN       ILE   6   1.037  -3.850   1.038
   54    HA   ILE   6           HA       ILE   6   2.492  -5.166   3.248
   55    HB   ILE   6           HB       ILE   6   1.766  -6.318   0.553
   56   1HG1  ILE   6          HG12      ILE   6   1.279  -7.557   3.253
   57   2HG1  ILE   6          HG11      ILE   6   0.184  -6.315   2.660
   58   1HG2  ILE   6          HG22      ILE   6   3.907  -6.984   2.510
   59   2HG2  ILE   6          HG21      ILE   6   2.995  -8.344   1.864
   60   3HG2  ILE   6          HG23      ILE   6   3.853  -7.261   0.773
   61   1HD1  ILE   6           HD2      ILE   6   0.919  -8.566   0.818
   62   2HD1  ILE   6           HD1      ILE   6  -0.250  -8.875   2.098
   63   3HD1  ILE   6           HD3      ILE   6  -0.569  -7.630   0.895
   64    H    LEU   7           HN       LEU   7   4.253  -3.876   3.347
   65    HA   LEU   7           HA       LEU   7   5.485  -2.786   0.941
   66   1HB   LEU   7           HB2      LEU   7   6.250  -2.720   3.854
   67   2HB   LEU   7           HB1      LEU   7   7.212  -1.953   2.596
   68    HG   LEU   7           HG       LEU   7   4.351  -1.323   2.401
   69   1HD1  LEU   7          HD13      LEU   7   5.929  -0.452   4.848
   70   2HD1  LEU   7          HD12      LEU   7   4.370   0.210   4.366
   71   3HD1  LEU   7          HD11      LEU   7   4.498  -1.477   4.855
   72   1HD2  LEU   7          HD22      LEU   7   6.161  -0.174   1.150
   73   2HD2  LEU   7          HD21      LEU   7   5.279   0.956   2.172
   74   3HD2  LEU   7          HD23      LEU   7   6.861   0.368   2.671
   75    H    ASN   8           HN       ASN   8   6.677  -4.016  -0.363
   76    HA   ASN   8           HA       ASN   8   8.345  -6.167   0.850
   77   1HB   ASN   8           HB2      ASN   8   6.817  -5.873  -1.617
   78   2HB   ASN   8           HB1      ASN   8   8.456  -6.402  -1.931
   79   1HD2  ASN   8          HD22      ASN   8   5.904  -9.117  -0.812
   80   2HD2  ASN   8          HD21      ASN   8   5.566  -7.692  -1.659
   81    H    GLY   9           HN       GLY   9   9.144  -3.481   1.136
   82   1HA   GLY   9           HA2      GLY   9  10.910  -2.541  -0.874
   83   2HA   GLY   9           HA1      GLY   9  11.044  -2.131   0.827
   84    H    LYS  10           HN       LYS  10  13.017  -2.913  -1.331
   85    HA   LYS  10           HA       LYS  10  14.119  -5.478  -0.577
   86   1HB   LYS  10           HB2      LYS  10  14.594  -4.446  -2.766
   87   2HB   LYS  10           HB1      LYS  10  15.436  -3.125  -1.963
   88   1HG   LYS  10           HG2      LYS  10  17.206  -4.510  -1.264
   89   2HG   LYS  10           HG1      LYS  10  16.249  -5.977  -1.432
   90   1HD   LYS  10           HD2      LYS  10  16.617  -6.119  -3.699
   91   2HD   LYS  10           HD1      LYS  10  16.646  -4.372  -3.908
   92   1HE   LYS  10           HE2      LYS  10  18.854  -5.747  -2.388
   93   2HE   LYS  10           HE1      LYS  10  18.886  -5.711  -4.146
   94   1HZ   LYS  10           HZ1      LYS  10  18.318  -3.175  -2.887
   95   2HZ   LYS  10           HZ3      LYS  10  19.871  -3.788  -2.580
   96   3HZ   LYS  10           HZ2      LYS  10  19.356  -3.543  -4.179
   97    H    THR  11           HN       THR  11  14.444  -2.222   0.557
   98    HA   THR  11           HA       THR  11  16.630  -3.038   2.407
   99    HB   THR  11           HB       THR  11  16.498  -0.380   2.795
  100    HG1  THR  11           HG1      THR  11  14.683  -0.126   1.501
  101   1HG2  THR  11          HG21      THR  11  18.419  -1.646   1.692
  102   2HG2  THR  11          HG23      THR  11  17.537  -1.518   0.173
  103   3HG2  THR  11          HG22      THR  11  18.107  -0.064   0.985
  104    H    LEU  12           HN       LEU  12  13.295  -2.682   2.297
  105    HA   LEU  12           HA       LEU  12  13.118  -2.909   5.209
  106   1HB   LEU  12           HB2      LEU  12  13.391  -0.419   4.767
  107   2HB   LEU  12           HB1      LEU  12  11.838  -0.480   3.948
  108    HG   LEU  12           HG       LEU  12  10.826  -1.448   6.042
  109   1HD1  LEU  12          HD11      LEU  12  13.672  -1.234   6.899
  110   2HD1  LEU  12          HD13      LEU  12  12.474  -0.724   8.082
  111   3HD1  LEU  12          HD12      LEU  12  12.424  -2.356   7.425
  112   1HD2  LEU  12          HD22      LEU  12  10.704   0.976   5.521
  113   2HD2  LEU  12          HD21      LEU  12  10.801   0.698   7.257
  114   3HD2  LEU  12          HD23      LEU  12  12.226   1.228   6.369
  115    H    LYS  13           HN       LYS  13  11.475  -4.231   5.639
  116    HA   LYS  13           HA       LYS  13   9.199  -4.356   3.693
  117   1HB   LYS  13           HB2      LYS  13  10.254  -6.556   5.485
  118   2HB   LYS  13           HB1      LYS  13   8.940  -6.709   4.326
  119   1HG   LYS  13           HG2      LYS  13  10.388  -6.991   2.611
  120   2HG   LYS  13           HG1      LYS  13  11.310  -5.567   3.076
  121   1HD   LYS  13           HD2      LYS  13  12.484  -6.892   4.807
  122   2HD   LYS  13           HD1      LYS  13  11.561  -8.316   4.342
  123   1HE   LYS  13           HE2      LYS  13  13.603  -8.538   3.154
  124   2HE   LYS  13           HE1      LYS  13  12.477  -7.906   1.959
  125   1HZ   LYS  13           HZ3      LYS  13  13.754  -5.824   3.429
  126   2HZ   LYS  13           HZ2      LYS  13  14.883  -6.825   2.649
  127   3HZ   LYS  13           HZ1      LYS  13  13.660  -6.064   1.750
  128    H    GLY  14           HN       GLY  14   7.158  -4.132   4.480
  129   1HA   GLY  14           HA2      GLY  14   6.598  -4.449   7.337
  130   2HA   GLY  14           HA1      GLY  14   6.533  -2.779   6.784
  131    H    GLU  15           HN       GLU  15   4.269  -2.917   7.443
  132    HA   GLU  15           HA       GLU  15   2.510  -3.299   5.239
  133   1HB   GLU  15           HB2      GLU  15   1.159  -5.193   6.372
  134   2HB   GLU  15           HB1      GLU  15   2.632  -5.647   5.525
  135   1HG   GLU  15           HG2      GLU  15   3.713  -6.228   7.452
  136   2HG   GLU  15           HG1      GLU  15   3.025  -4.882   8.356
  137    H    THR  16           HN       THR  16   0.779  -2.009   5.612
  138    HA   THR  16           HA       THR  16  -0.164  -1.629   8.399
  139    HB   THR  16           HB       THR  16   1.622   0.144   7.936
  140    HG1  THR  16           HG1      THR  16   0.100   0.595   9.457
  141   1HG2  THR  16          HG23      THR  16   0.458   0.416   5.482
  142   2HG2  THR  16          HG22      THR  16  -0.445   1.629   6.385
  143   3HG2  THR  16          HG21      THR  16   1.309   1.735   6.279
  144    H    THR  17           HN       THR  17  -2.269  -0.690   8.531
  145    HA   THR  17           HA       THR  17  -3.811  -1.027   5.999
  146    HB   THR  17           HB       THR  17  -5.675  -1.677   7.331
  147    HG1  THR  17           HG1      THR  17  -5.993  -0.607   9.148
  148   1HG2  THR  17          HG21      THR  17  -3.286  -2.973   7.872
  149   2HG2  THR  17          HG23      THR  17  -3.787  -2.448   9.475
  150   3HG2  THR  17          HG22      THR  17  -4.846  -3.473   8.513
  151    H    THR  18           HN       THR  18  -5.002   0.591   5.161
  152    HA   THR  18           HA       THR  18  -5.140   3.159   6.695
  153    HB   THR  18           HB       THR  18  -3.462   3.036   4.659
  154    HG1  THR  18           HG1      THR  18  -5.531   4.984   4.706
  155   1HG2  THR  18          HG21      THR  18  -5.495   2.115   3.203
  156   2HG2  THR  18          HG23      THR  18  -5.961   3.812   3.164
  157   3HG2  THR  18          HG22      THR  18  -4.403   3.311   2.514
  158    H    GLU  19           HN       GLU  19  -7.033   4.320   6.511
  159    HA   GLU  19           HA       GLU  19  -9.346   2.801   5.493
  160   1HB   GLU  19           HB2      GLU  19  -8.889   4.855   7.491
  161   2HB   GLU  19           HB1      GLU  19 -10.224   5.296   6.432
  162   1HG   GLU  19           HG2      GLU  19 -11.260   3.075   6.822
  163   2HG   GLU  19           HG1      GLU  19  -9.931   2.650   7.897
  164    H    ALA  20           HN       ALA  20 -10.128   3.108   3.508
  165    HA   ALA  20           HA       ALA  20  -9.912   5.810   2.274
  166   1HB   ALA  20           HB1      ALA  20  -8.578   3.346   1.381
  167   2HB   ALA  20           HB3      ALA  20  -9.492   4.161   0.116
  168   3HB   ALA  20           HB2      ALA  20  -8.222   5.022   0.981
  169    H    VAL  21           HN       VAL  21 -11.476   6.219   0.646
  170    HA   VAL  21           HA       VAL  21 -13.937   4.637   1.017
  171    HB   VAL  21           HB       VAL  21 -14.380   6.943   1.069
  172   1HG1  VAL  21          HG11      VAL  21 -12.445   7.095  -1.259
  173   2HG1  VAL  21          HG13      VAL  21 -13.470   8.449  -0.793
  174   3HG1  VAL  21          HG12      VAL  21 -12.270   7.824   0.334
  175   1HG2  VAL  21          HG23      VAL  21 -15.695   5.522  -0.696
  176   2HG2  VAL  21          HG22      VAL  21 -15.853   7.275  -0.741
  177   3HG2  VAL  21          HG21      VAL  21 -14.787   6.457  -1.879
  178    H    ASP  22           HN       ASP  22 -11.495   5.198  -1.402
  179    HA   ASP  22           HA       ASP  22 -12.768   3.107  -3.088
  180   1HB   ASP  22           HB2      ASP  22 -12.079   4.602  -5.106
  181   2HB   ASP  22           HB1      ASP  22 -13.561   4.995  -4.240
  182    H    ALA  23           HN       ALA  23 -11.179   2.654  -5.018
  183    HA   ALA  23           HA       ALA  23  -8.660   1.859  -3.795
  184   1HB   ALA  23           HB2      ALA  23  -9.938   1.515  -6.485
  185   2HB   ALA  23           HB1      ALA  23  -8.219   1.183  -6.304
  186   3HB   ALA  23           HB3      ALA  23  -9.395   0.286  -5.347
  187    H    ALA  24           HN       ALA  24  -9.643   4.221  -6.235
  188    HA   ALA  24           HA       ALA  24  -7.105   5.081  -7.096
  189   1HB   ALA  24           HB3      ALA  24  -9.676   5.886  -7.567
  190   2HB   ALA  24           HB2      ALA  24  -9.049   7.253  -6.651
  191   3HB   ALA  24           HB1      ALA  24  -8.250   6.749  -8.137
  192    H    THR  25           HN       THR  25  -9.040   6.436  -4.429
  193    HA   THR  25           HA       THR  25  -6.972   8.213  -3.535
  194    HB   THR  25           HB       THR  25  -9.544   8.170  -2.914
  195    HG1  THR  25           HG1      THR  25  -8.885   9.550  -1.365
  196   1HG2  THR  25          HG21      THR  25  -9.082   5.841  -1.709
  197   2HG2  THR  25          HG23      THR  25  -8.422   6.869  -0.441
  198   3HG2  THR  25          HG22      THR  25 -10.107   7.038  -0.924
  199    H    ALA  26           HN       ALA  26  -7.615   4.842  -2.980
  200    HA   ALA  26           HA       ALA  26  -5.958   4.560  -0.631
  201   1HB   ALA  26           HB2      ALA  26  -7.675   2.888  -1.306
  202   2HB   ALA  26           HB1      ALA  26  -6.681   2.467  -2.696
  203   3HB   ALA  26           HB3      ALA  26  -6.090   2.158  -1.067
  204    H    GLU  27           HN       GLU  27  -5.386   4.261  -4.101
  205    HA   GLU  27           HA       GLU  27  -2.737   3.228  -3.977
  206   1HB   GLU  27           HB2      GLU  27  -4.125   4.984  -6.010
  207   2HB   GLU  27           HB1      GLU  27  -2.511   4.334  -6.251
  208   1HG   GLU  27           HG2      GLU  27  -3.461   2.026  -5.848
  209   2HG   GLU  27           HG1      GLU  27  -5.065   2.753  -5.841
  210    H    LYS  28           HN       LYS  28  -3.984   6.518  -3.819
  211    HA   LYS  28           HA       LYS  28  -1.306   7.700  -3.784
  212   1HB   LYS  28           HB2      LYS  28  -4.033   8.887  -3.222
  213   2HB   LYS  28           HB1      LYS  28  -2.543   9.816  -3.329
  214   1HG   LYS  28           HG2      LYS  28  -2.470   9.668  -5.606
  215   2HG   LYS  28           HG1      LYS  28  -2.984   7.986  -5.603
  216   1HD   LYS  28           HD2      LYS  28  -4.706   9.402  -6.654
  217   2HD   LYS  28           HD1      LYS  28  -5.321   8.706  -5.161
  218   1HE   LYS  28           HE2      LYS  28  -5.219  10.742  -4.016
  219   2HE   LYS  28           HE1      LYS  28  -3.962  11.386  -5.063
  220   1HZ   LYS  28           HZ2      LYS  28  -6.128  10.911  -6.694
  221   2HZ   LYS  28           HZ1      LYS  28  -6.771  11.623  -5.292
  222   3HZ   LYS  28           HZ3      LYS  28  -5.551  12.419  -6.166
  223    H    VAL  29           HN       VAL  29  -3.858   7.046  -1.425
  224    HA   VAL  29           HA       VAL  29  -2.704   8.319   0.820
  225    HB   VAL  29           HB       VAL  29  -4.430   5.860   0.566
  226   1HG1  VAL  29          HG11      VAL  29  -3.225   7.156   3.009
  227   2HG1  VAL  29          HG13      VAL  29  -4.776   6.328   3.105
  228   3HG1  VAL  29          HG12      VAL  29  -3.335   5.443   2.617
  229   1HG2  VAL  29          HG23      VAL  29  -5.154   8.355   0.115
  230   2HG2  VAL  29          HG22      VAL  29  -6.197   7.313   1.078
  231   3HG2  VAL  29          HG21      VAL  29  -5.140   8.475   1.872
  232    H    PHE  30           HN       PHE  30  -2.408   4.887  -0.111
  233    HA   PHE  30           HA       PHE  30  -0.421   4.289   1.861
  234   1HB   PHE  30           HB2      PHE  30  -1.333   2.971  -0.677
  235   2HB   PHE  30           HB1      PHE  30   0.133   2.394   0.105
  236    HD1  PHE  30           HD1      PHE  30  -0.202   2.218   2.844
  237    HD2  PHE  30           HD2      PHE  30  -3.279   1.820  -0.081
  238    HE1  PHE  30           HE1      PHE  30  -1.570   0.951   4.442
  239    HE2  PHE  30           HE2      PHE  30  -4.621   0.544   1.526
  240    HZ   PHE  30           HZ       PHE  30  -3.767   0.085   3.776
  241    H    LYS  31           HN       LYS  31  -0.153   5.199  -1.563
  242    HA   LYS  31           HA       LYS  31   2.645   4.983  -1.838
  243   1HB   LYS  31           HB2      LYS  31   1.156   5.496  -3.726
  244   2HB   LYS  31           HB1      LYS  31   0.821   7.080  -3.036
  245   1HG   LYS  31           HG2      LYS  31   2.767   7.937  -3.825
  246   2HG   LYS  31           HG1      LYS  31   3.691   6.560  -3.237
  247   1HD   LYS  31           HD2      LYS  31   3.134   5.256  -5.195
  248   2HD   LYS  31           HD1      LYS  31   1.973   6.464  -5.734
  249   1HE   LYS  31           HE2      LYS  31   4.879   7.175  -5.318
  250   2HE   LYS  31           HE1      LYS  31   4.326   6.477  -6.835
  251   1HZ   LYS  31           HZ1      LYS  31   2.648   8.295  -6.912
  252   2HZ   LYS  31           HZ3      LYS  31   3.438   9.012  -5.590
  253   3HZ   LYS  31           HZ2      LYS  31   4.260   8.809  -7.062
  254    H    GLN  32           HN       GLN  32   0.702   7.550  -0.434
  255    HA   GLN  32           HA       GLN  32   2.857   9.407  -0.038
  256   1HB   GLN  32           HB2      GLN  32   0.358   9.894   0.095
  257   2HB   GLN  32           HB1      GLN  32   0.387   9.152   1.691
  258   1HG   GLN  32           HG2      GLN  32   0.788  11.370   2.269
  259   2HG   GLN  32           HG1      GLN  32   2.444  10.814   2.043
  260   1HE2  GLN  32          HE22      GLN  32   2.955  13.324  -0.356
  261   2HE2  GLN  32          HE21      GLN  32   3.527  12.493   1.010
  262    OH   TYR  33           OH       TYR  33   4.779   2.613   8.148
  263    H    TYR  33           HN       TYR  33   1.733   6.613   1.695
  264    HA   TYR  33           HA       TYR  33   3.251   7.198   4.117
  265   1HB   TYR  33           HB2      TYR  33   1.249   5.829   4.298
  266   2HB   TYR  33           HB1      TYR  33   1.900   4.670   3.144
  267    HD1  TYR  33           HD1      TYR  33   3.971   3.361   3.759
  268    HD2  TYR  33           HD2      TYR  33   1.896   5.745   6.605
  269    HE1  TYR  33           HE1      TYR  33   5.102   2.173   5.577
  270    HE2  TYR  33           HE2      TYR  33   3.028   4.554   8.426
  271    HH   TYR  33           HH       TYR  33   4.108   2.199   8.696
  272    H    ALA  34           HN       ALA  34   3.543   4.748   1.558
  273    HA   ALA  34           HA       ALA  34   5.982   3.600   2.306
  274   1HB   ALA  34           HB1      ALA  34   4.382   3.736  -0.083
  275   2HB   ALA  34           HB3      ALA  34   6.085   3.871  -0.508
  276   3HB   ALA  34           HB2      ALA  34   5.515   2.483   0.411
  277    H    ASN  35           HN       ASN  35   5.378   6.702   0.832
  278    HA   ASN  35           HA       ASN  35   8.062   7.263  -0.016
  279   1HB   ASN  35           HB2      ASN  35   5.981   8.536  -0.689
  280   2HB   ASN  35           HB1      ASN  35   6.005   9.283   0.906
  281   1HD2  ASN  35          HD22      ASN  35   8.397  11.659  -0.051
  282   2HD2  ASN  35          HD21      ASN  35   7.151  11.202   1.008
  283    H    ASP  36           HN       ASP  36   6.386   7.614   3.043
  284    HA   ASP  36           HA       ASP  36   8.416   9.221   4.324
  285   1HB   ASP  36           HB2      ASP  36   6.131   7.534   5.316
  286   2HB   ASP  36           HB1      ASP  36   7.275   8.249   6.449
  287    H    ASN  37           HN       ASN  37   8.754   6.270   3.073
  288    HA   ASN  37           HA       ASN  37  10.766   5.462   5.138
  289   1HB   ASN  37           HB2      ASN  37   8.878   3.654   3.609
  290   2HB   ASN  37           HB1      ASN  37  10.214   3.084   4.604
  291   1HD2  ASN  37          HD22      ASN  37   6.985   4.836   6.465
  292   2HD2  ASN  37          HD21      ASN  37   7.340   5.249   4.857
  293    H    GLY  38           HN       GLY  38   9.864   5.736   1.797
  294   1HA   GLY  38           HA2      GLY  38  11.549   6.156   0.090
  295   2HA   GLY  38           HA1      GLY  38  12.703   5.236   1.049
  296    H    VAL  39           HN       VAL  39   9.419   4.537  -0.128
  297    HA   VAL  39           HA       VAL  39  10.520   2.124  -1.523
  298    HB   VAL  39           HB       VAL  39   7.837   2.261  -0.125
  299   1HG1  VAL  39          HG13      VAL  39   8.078   0.617  -1.983
  300   2HG1  VAL  39          HG12      VAL  39   9.495  -0.056  -1.186
  301   3HG1  VAL  39          HG11      VAL  39   7.913  -0.185  -0.425
  302   1HG2  VAL  39          HG23      VAL  39  10.527   1.217   0.813
  303   2HG2  VAL  39          HG22      VAL  39   9.518   2.427   1.599
  304   3HG2  VAL  39          HG21      VAL  39   9.003   0.743   1.556
  305    H    ASP  40           HN       ASP  40  10.492   3.081  -3.551
  306    HA   ASP  40           HA       ASP  40   7.763   3.626  -4.648
  307   1HB   ASP  40           HB2      ASP  40  10.276   5.214  -5.242
  308   2HB   ASP  40           HB1      ASP  40   8.705   5.464  -6.001
  309    H    GLY  41           HN       GLY  41   7.358   2.180  -6.181
  310   1HA   GLY  41           HA2      GLY  41   9.164   1.755  -8.401
  311   2HA   GLY  41           HA1      GLY  41   9.152   0.363  -7.320
  312    H    GLU  42           HN       GLU  42   7.623  -1.124  -7.656
  313    HA   GLU  42           HA       GLU  42   5.417  -0.463  -9.544
  314   1HB   GLU  42           HB2      GLU  42   6.286  -3.157  -8.500
  315   2HB   GLU  42           HB1      GLU  42   5.185  -2.857  -9.837
  316   1HG   GLU  42           HG2      GLU  42   7.565  -1.381 -10.368
  317   2HG   GLU  42           HG1      GLU  42   8.058  -3.005  -9.896
  318    CH2  TRP  43           CH2      TRP  43   2.205   2.421  -2.224
  319    H    TRP  43           HN       TRP  43   3.261  -0.889  -9.016
  320    HA   TRP  43           HA       TRP  43   2.734  -1.406  -6.112
  321   1HB   TRP  43           HB2      TRP  43   1.636   0.687  -7.958
  322   2HB   TRP  43           HB1      TRP  43   0.710   0.160  -6.562
  323    HD1  TRP  43           HD1      TRP  43   4.251   1.453  -7.418
  324    HE1  TRP  43           HE1      TRP  43   5.032   2.779  -5.396
  325    HE3  TRP  43           HE3      TRP  43   0.411   0.572  -4.379
  326    HZ2  TRP  43           HZ2      TRP  43   4.091   3.327  -2.639
  327    HZ3  TRP  43           HZ3      TRP  43   0.330   1.415  -2.085
  328    HH2  TRP  43           HH2      TRP  43   2.169   2.784  -1.207
  329    H    THR  44           HN       THR  44   1.179  -2.834  -5.639
  330    HA   THR  44           HA       THR  44  -0.443  -3.923  -7.912
  331    HB   THR  44           HB       THR  44  -0.343  -6.115  -6.472
  332    HG1  THR  44           HG1      THR  44   0.594  -4.787  -4.734
  333   1HG2  THR  44          HG22      THR  44   2.203  -5.006  -7.722
  334   2HG2  THR  44          HG21      THR  44   1.896  -6.704  -7.374
  335   3HG2  THR  44          HG23      THR  44   0.948  -5.873  -8.603
  336    OH   TYR  45           OH       TYR  45  -8.900  -1.276  -3.148
  337    H    TYR  45           HN       TYR  45  -2.432  -5.035  -7.188
  338    HA   TYR  45           HA       TYR  45  -3.583  -3.964  -4.655
  339   1HB   TYR  45           HB2      TYR  45  -4.083  -2.510  -6.745
  340   2HB   TYR  45           HB1      TYR  45  -5.106  -3.849  -7.271
  341    HD1  TYR  45           HD1      TYR  45  -6.628  -4.725  -4.955
  342    HD2  TYR  45           HD2      TYR  45  -5.349  -0.783  -5.889
  343    HE1  TYR  45           HE1      TYR  45  -8.385  -3.818  -3.530
  344    HE2  TYR  45           HE2      TYR  45  -7.152   0.120  -4.512
  345    HH   TYR  45           HH       TYR  45  -9.628  -1.036  -3.727
  346    H    ASP  46           HN       ASP  46  -4.591  -5.567  -3.598
  347    HA   ASP  46           HA       ASP  46  -5.324  -8.037  -5.119
  348   1HB   ASP  46           HB2      ASP  46  -3.689  -8.069  -3.109
  349   2HB   ASP  46           HB1      ASP  46  -5.128  -7.833  -2.124
  350    H    ASP  47           HN       ASP  47  -7.290  -6.761  -5.781
  351    HA   ASP  47           HA       ASP  47  -9.270  -5.999  -3.846
  352   1HB   ASP  47           HB2      ASP  47  -9.140  -5.323  -6.314
  353   2HB   ASP  47           HB1      ASP  47  -9.869  -6.887  -6.670
  354    H    ALA  48           HN       ALA  48  -8.062  -8.959  -4.296
  355    HA   ALA  48           HA       ALA  48 -10.594 -10.468  -4.277
  356   1HB   ALA  48           HB1      ALA  48  -8.046 -11.069  -5.129
  357   2HB   ALA  48           HB3      ALA  48  -8.138 -11.923  -3.591
  358   3HB   ALA  48           HB2      ALA  48  -9.321 -12.252  -4.853
  359    H    THR  49           HN       THR  49  -8.339  -9.154  -2.026
  360    HA   THR  49           HA       THR  49  -9.977 -10.243   0.195
  361    HB   THR  49           HB       THR  49  -7.913 -10.943   1.450
  362    HG1  THR  49           HG1      THR  49  -6.624  -9.425   0.205
  363   1HG2  THR  49          HG23      THR  49  -9.113 -12.519  -0.301
  364   2HG2  THR  49          HG22      THR  49  -7.702 -12.181  -1.298
  365   3HG2  THR  49          HG21      THR  49  -7.506 -12.961   0.269
  366    H    LYS  50           HN       LYS  50  -9.138  -7.610  -1.210
  367    HA   LYS  50           HA       LYS  50  -8.753  -5.394  -0.549
  368   1HB   LYS  50           HB2      LYS  50  -9.614  -6.403   2.173
  369   2HB   LYS  50           HB1      LYS  50  -9.677  -4.742   1.597
  370   1HG   LYS  50           HG2      LYS  50 -11.310  -5.358  -0.120
  371   2HG   LYS  50           HG1      LYS  50 -11.189  -7.054   0.334
  372   1HD   LYS  50           HD2      LYS  50 -11.774  -5.302   2.616
  373   2HD   LYS  50           HD1      LYS  50 -13.019  -5.248   1.372
  374   1HE   LYS  50           HE2      LYS  50 -13.390  -7.061   3.076
  375   2HE   LYS  50           HE1      LYS  50 -13.259  -7.667   1.429
  376   1HZ   LYS  50           HZ2      LYS  50 -10.975  -7.548   3.310
  377   2HZ   LYS  50           HZ1      LYS  50 -11.959  -8.918   3.115
  378   3HZ   LYS  50           HZ3      LYS  50 -11.040  -8.339   1.809
  379    H    THR  51           HN       THR  51  -6.450  -6.474  -0.833
  380    HA   THR  51           HA       THR  51  -4.869  -5.634   1.565
  381    HB   THR  51           HB       THR  51  -4.041  -8.035  -0.093
  382    HG1  THR  51           HG1      THR  51  -5.943  -7.734   1.980
  383   1HG2  THR  51          HG23      THR  51  -2.781  -6.748   1.968
  384   2HG2  THR  51          HG22      THR  51  -3.776  -7.893   2.855
  385   3HG2  THR  51          HG21      THR  51  -2.617  -8.471   1.667
  386    H    PHE  52           HN       PHE  52  -3.710  -3.885   0.812
  387    HA   PHE  52           HA       PHE  52  -3.028  -3.656  -2.013
  388   1HB   PHE  52           HB2      PHE  52  -3.081  -1.931   0.292
  389   2HB   PHE  52           HB1      PHE  52  -1.543  -1.782  -0.547
  390    HD1  PHE  52           HD1      PHE  52  -1.517  -1.184  -3.001
  391    HD2  PHE  52           HD2      PHE  52  -5.100  -1.208  -0.742
  392    HE1  PHE  52           HE1      PHE  52  -2.650   0.111  -4.763
  393    HE2  PHE  52           HE2      PHE  52  -6.185   0.201  -2.408
  394    HZ   PHE  52           HZ       PHE  52  -4.948   0.904  -4.406
  395    H    THR  53           HN       THR  53  -0.740  -3.357  -2.711
  396    HA   THR  53           HA       THR  53   1.345  -4.367  -0.924
  397    HB   THR  53           HB       THR  53   0.440  -6.027  -3.305
  398    HG1  THR  53           HG1      THR  53  -0.164  -7.375  -1.681
  399   1HG2  THR  53          HG21      THR  53   2.889  -6.097  -1.529
  400   2HG2  THR  53          HG23      THR  53   2.229  -7.590  -2.190
  401   3HG2  THR  53          HG22      THR  53   2.808  -6.328  -3.273
  402    H    VAL  54           HN       VAL  54   3.309  -3.640  -1.523
  403    HA   VAL  54           HA       VAL  54   3.655  -2.626  -4.310
  404    HB   VAL  54           HB       VAL  54   3.081  -0.740  -2.722
  405   1HG1  VAL  54          HG11      VAL  54   4.296  -1.856  -0.795
  406   2HG1  VAL  54          HG13      VAL  54   5.801  -1.322  -1.535
  407   3HG1  VAL  54          HG12      VAL  54   4.616  -0.140  -0.990
  408   1HG2  VAL  54          HG21      VAL  54   5.823  -0.825  -4.008
  409   2HG2  VAL  54          HG23      VAL  54   4.344  -0.164  -4.682
  410   3HG2  VAL  54          HG22      VAL  54   5.130   0.641  -3.333
  411    H    THR  55           HN       THR  55   5.834  -2.675  -5.019
  412    HA   THR  55           HA       THR  55   7.798  -3.968  -3.196
  413    HB   THR  55           HB       THR  55   7.253  -5.044  -5.992
  414    HG1  THR  55           HG1      THR  55   6.394  -5.810  -3.387
  415   1HG2  THR  55          HG23      THR  55   9.261  -5.561  -3.949
  416   2HG2  THR  55          HG22      THR  55   8.233  -6.977  -4.161
  417   3HG2  THR  55          HG21      THR  55   9.100  -6.303  -5.533
  418    H    GLU  56           HN       GLU  56   9.491  -2.604  -3.243
  419    HA   GLU  56           HA       GLU  56  10.000  -0.687  -5.287
  420   1HB   GLU  56           HB2      GLU  56  11.060  -1.245  -2.796
  421   2HB   GLU  56           HB1      GLU  56  12.401  -1.598  -3.876
  422   1HG   GLU  56           HG2      GLU  56  11.996   0.639  -4.981
  423   2HG   GLU  56           HG1      GLU  56  10.814   0.986  -3.722
   
  Start of MODEL           2
 Raw file had 423 H/Q atoms
  Entry Start of MODEL    2
    1   1H    MET   1           HT1      MET   1 -13.001   1.616   2.047
    2   2H    MET   1           HT3      MET   1 -13.475   0.295   1.091
    3   3H    MET   1           HT2      MET   1 -14.604   1.061   2.102
    4    HA   MET   1           HA       MET   1 -13.866   0.058   3.969
    5   1HB   MET   1           HB2      MET   1 -13.420  -1.683   1.610
    6   2HB   MET   1           HB1      MET   1 -12.697  -2.233   3.117
    7   1HG   MET   1           HG2      MET   1 -15.587  -1.425   2.747
    8   2HG   MET   1           HG1      MET   1 -15.013  -3.071   2.793
    9   1HE   MET   1           HE3      MET   1 -13.407  -3.794   4.778
   10   2HE   MET   1           HE2      MET   1 -14.246  -3.894   6.326
   11   3HE   MET   1           HE1      MET   1 -15.014  -4.514   4.863
   12    H    THR   2           HN       THR   2 -11.932  -1.334   4.918
   13    HA   THR   2           HA       THR   2  -9.520   0.375   4.589
   14    HB   THR   2           HB       THR   2  -9.847  -1.692   6.772
   15    HG1  THR   2           HG1      THR   2 -10.828   0.972   6.773
   16   1HG2  THR   2          HG23      THR   2  -7.820   0.037   6.293
   17   2HG2  THR   2          HG22      THR   2  -8.911   1.125   7.145
   18   3HG2  THR   2          HG21      THR   2  -8.341  -0.343   7.931
   19    OH   TYR   3           OH       TYR   3 -11.419   0.430  -0.991
   20    H    TYR   3           HN       TYR   3  -7.908  -0.374   3.357
   21    HA   TYR   3           HA       TYR   3  -7.758  -3.310   2.854
   22   1HB   TYR   3           HB2      TYR   3  -6.054  -1.253   1.463
   23   2HB   TYR   3           HB1      TYR   3  -6.573  -2.829   0.883
   24    HD1  TYR   3           HD1      TYR   3  -7.737   0.610   1.636
   25    HD2  TYR   3           HD2      TYR   3  -8.709  -3.106  -0.189
   26    HE1  TYR   3           HE1      TYR   3  -9.696   1.640   0.584
   27    HE2  TYR   3           HE2      TYR   3 -10.669  -2.076  -1.242
   28    HH   TYR   3           HH       TYR   3 -11.190   0.648  -1.897
   29    H    LYS   4           HN       LYS   4  -5.415  -4.115   2.588
   30    HA   LYS   4           HA       LYS   4  -3.793  -3.073   4.876
   31   1HB   LYS   4           HB2      LYS   4  -4.971  -5.379   5.081
   32   2HB   LYS   4           HB1      LYS   4  -3.765  -5.931   3.946
   33   1HG   LYS   4           HG2      LYS   4  -2.344  -4.463   5.926
   34   2HG   LYS   4           HG1      LYS   4  -3.477  -5.492   6.789
   35   1HD   LYS   4           HD2      LYS   4  -1.607  -6.480   4.604
   36   2HD   LYS   4           HD1      LYS   4  -1.253  -6.588   6.322
   37   1HE   LYS   4           HE2      LYS   4  -3.920  -7.626   5.638
   38   2HE   LYS   4           HE1      LYS   4  -2.615  -8.503   4.853
   39   1HZ   LYS   4           HZ3      LYS   4  -2.515  -7.878   7.731
   40   2HZ   LYS   4           HZ2      LYS   4  -3.338  -9.246   7.155
   41   3HZ   LYS   4           HZ1      LYS   4  -1.673  -9.076   6.871
   42    H    LEU   5           HN       LEU   5  -1.958  -2.189   4.164
   43    HA   LEU   5           HA       LEU   5  -0.961  -2.879   1.501
   44   1HB   LEU   5           HB2      LEU   5  -0.851  -0.549   2.119
   45   2HB   LEU   5           HB1      LEU   5  -0.040  -0.922   3.627
   46    HG   LEU   5           HG       LEU   5   1.948  -1.764   2.256
   47   1HD1  LEU   5          HD11      LEU   5   0.346  -0.493   0.015
   48   2HD1  LEU   5          HD13      LEU   5   2.026  -0.991  -0.111
   49   3HD1  LEU   5          HD12      LEU   5   0.772  -2.196   0.136
   50   1HD2  LEU   5          HD22      LEU   5   1.714   0.574   3.235
   51   2HD2  LEU   5          HD21      LEU   5   2.814   0.431   1.869
   52   3HD2  LEU   5          HD23      LEU   5   1.202   1.096   1.634
   53    H    ILE   6           HN       ILE   6   1.076  -3.751   1.063
   54    HA   ILE   6           HA       ILE   6   2.480  -5.053   3.312
   55    HB   ILE   6           HB       ILE   6   1.786  -6.261   0.632
   56   1HG1  ILE   6          HG12      ILE   6   1.219  -7.416   3.353
   57   2HG1  ILE   6          HG11      ILE   6   0.141  -6.204   2.673
   58   1HG2  ILE   6          HG21      ILE   6   3.881  -6.897   2.637
   59   2HG2  ILE   6          HG23      ILE   6   2.958  -8.267   2.029
   60   3HG2  ILE   6          HG22      ILE   6   3.844  -7.236   0.910
   61   1HD1  ILE   6           HD3      ILE   6   0.933  -8.444   0.875
   62   2HD1  ILE   6           HD2      ILE   6  -0.173  -8.836   2.188
   63   3HD1  ILE   6           HD1      ILE   6  -0.608  -7.604   1.007
   64    H    LEU   7           HN       LEU   7   4.264  -3.783   3.391
   65    HA   LEU   7           HA       LEU   7   5.518  -2.774   0.959
   66   1HB   LEU   7           HB2      LEU   7   6.268  -2.656   3.876
   67   2HB   LEU   7           HB1      LEU   7   7.286  -1.978   2.612
   68    HG   LEU   7           HG       LEU   7   4.419  -1.240   2.452
   69   1HD1  LEU   7          HD13      LEU   7   6.223  -0.347   4.722
   70   2HD1  LEU   7          HD12      LEU   7   4.787   0.543   4.228
   71   3HD1  LEU   7          HD11      LEU   7   4.635  -1.096   4.854
   72   1HD2  LEU   7          HD21      LEU   7   6.216  -0.338   0.967
   73   2HD2  LEU   7          HD23      LEU   7   5.415   0.935   1.883
   74   3HD2  LEU   7          HD22      LEU   7   7.003   0.360   2.380
   75    H    ASN   8           HN       ASN   8   6.692  -4.046  -0.309
   76    HA   ASN   8           HA       ASN   8   8.259  -6.251   0.944
   77   1HB   ASN   8           HB2      ASN   8   6.716  -5.963  -1.493
   78   2HB   ASN   8           HB1      ASN   8   8.342  -6.497  -1.860
   79   1HD2  ASN   8          HD22      ASN   8   5.808  -9.193  -0.641
   80   2HD2  ASN   8          HD21      ASN   8   5.442  -7.759  -1.463
   81    H    GLY   9           HN       GLY   9   9.238  -3.657   1.257
   82   1HA   GLY   9           HA2      GLY   9  11.026  -2.779  -0.760
   83   2HA   GLY   9           HA1      GLY   9  11.223  -2.434   0.949
   84    H    LYS  10           HN       LYS  10  13.042  -3.352  -1.344
   85    HA   LYS  10           HA       LYS  10  13.990  -5.981  -0.607
   86   1HB   LYS  10           HB2      LYS  10  15.920  -5.455  -2.032
   87   2HB   LYS  10           HB1      LYS  10  14.427  -4.974  -2.830
   88   1HG   LYS  10           HG2      LYS  10  14.923  -2.679  -1.542
   89   2HG   LYS  10           HG1      LYS  10  16.578  -3.268  -1.644
   90   1HD   LYS  10           HD2      LYS  10  16.075  -3.708  -4.141
   91   2HD   LYS  10           HD1      LYS  10  14.658  -2.692  -3.907
   92   1HE   LYS  10           HE2      LYS  10  16.077  -0.972  -4.376
   93   2HE   LYS  10           HE1      LYS  10  16.614  -1.178  -2.714
   94   1HZ   LYS  10           HZ2      LYS  10  17.807  -2.601  -5.024
   95   2HZ   LYS  10           HZ1      LYS  10  18.425  -1.158  -4.373
   96   3HZ   LYS  10           HZ3      LYS  10  18.385  -2.568  -3.427
   97    H    THR  11           HN       THR  11  14.270  -2.921   0.771
   98    HA   THR  11           HA       THR  11  16.448  -3.884   2.566
   99    HB   THR  11           HB       THR  11  16.863  -1.228   2.672
  100    HG1  THR  11           HG1      THR  11  15.651  -0.356   1.178
  101   1HG2  THR  11          HG21      THR  11  17.752  -3.153   0.502
  102   2HG2  THR  11          HG23      THR  11  18.357  -1.501   0.581
  103   3HG2  THR  11          HG22      THR  11  18.679  -2.620   1.901
  104    H    LEU  12           HN       LEU  12  13.270  -2.954   2.279
  105    HA   LEU  12           HA       LEU  12  13.034  -2.673   5.203
  106   1HB   LEU  12           HB2      LEU  12  13.537  -0.353   4.201
  107   2HB   LEU  12           HB1      LEU  12  11.915  -0.436   3.522
  108    HG   LEU  12           HG       LEU  12  11.310  -1.145   6.035
  109   1HD1  LEU  12          HD12      LEU  12  13.696  -1.048   6.758
  110   2HD1  LEU  12          HD11      LEU  12  13.739   0.658   6.325
  111   3HD1  LEU  12          HD13      LEU  12  12.699   0.109   7.635
  112   1HD2  LEU  12          HD22      LEU  12  11.711   1.585   4.816
  113   2HD2  LEU  12          HD21      LEU  12  10.205   0.720   5.104
  114   3HD2  LEU  12          HD23      LEU  12  11.087   1.425   6.454
  115    H    LYS  13           HN       LYS  13  11.557  -4.260   5.443
  116    HA   LYS  13           HA       LYS  13   9.176  -4.277   3.651
  117   1HB   LYS  13           HB2      LYS  13  10.257  -6.360   5.559
  118   2HB   LYS  13           HB1      LYS  13   8.774  -6.545   4.632
  119   1HG   LYS  13           HG2      LYS  13   9.896  -6.840   2.648
  120   2HG   LYS  13           HG1      LYS  13  11.184  -5.726   3.091
  121   1HD   LYS  13           HD2      LYS  13  12.327  -7.358   4.354
  122   2HD   LYS  13           HD1      LYS  13  10.896  -8.369   4.516
  123   1HE   LYS  13           HE2      LYS  13  12.782  -9.015   2.776
  124   2HE   LYS  13           HE1      LYS  13  11.087  -9.221   2.354
  125   1HZ   LYS  13           HZ2      LYS  13  11.319  -6.809   1.499
  126   2HZ   LYS  13           HZ1      LYS  13  12.981  -7.159   1.470
  127   3HZ   LYS  13           HZ3      LYS  13  11.901  -8.095   0.553
  128    H    GLY  14           HN       GLY  14   7.058  -4.401   4.558
  129   1HA   GLY  14           HA2      GLY  14   6.559  -4.249   7.386
  130   2HA   GLY  14           HA1      GLY  14   6.529  -2.632   6.689
  131    H    GLU  15           HN       GLU  15   4.244  -2.815   7.498
  132    HA   GLU  15           HA       GLU  15   2.450  -3.221   5.306
  133   1HB   GLU  15           HB2      GLU  15   1.138  -5.115   6.505
  134   2HB   GLU  15           HB1      GLU  15   2.580  -5.556   5.596
  135   1HG   GLU  15           HG2      GLU  15   3.899  -5.751   7.571
  136   2HG   GLU  15           HG1      GLU  15   2.711  -4.889   8.545
  137    H    THR  16           HN       THR  16   0.665  -2.015   5.679
  138    HA   THR  16           HA       THR  16  -0.283  -1.611   8.450
  139    HB   THR  16           HB       THR  16   1.453   0.193   8.075
  140    HG1  THR  16           HG1      THR  16  -0.412   0.466   9.393
  141   1HG2  THR  16          HG21      THR  16   0.332   0.376   5.530
  142   2HG2  THR  16          HG23      THR  16  -0.405   1.727   6.382
  143   3HG2  THR  16          HG22      THR  16   1.347   1.607   6.269
  144    H    THR  17           HN       THR  17  -2.418  -0.824   8.565
  145    HA   THR  17           HA       THR  17  -3.908  -1.045   5.986
  146    HB   THR  17           HB       THR  17  -5.769  -1.874   7.239
  147    HG1  THR  17           HG1      THR  17  -6.121  -0.858   9.061
  148   1HG2  THR  17          HG23      THR  17  -3.343  -3.147   7.594
  149   2HG2  THR  17          HG22      THR  17  -3.816  -2.816   9.257
  150   3HG2  THR  17          HG21      THR  17  -4.871  -3.762   8.213
  151    H    THR  18           HN       THR  18  -5.152   0.581   5.261
  152    HA   THR  18           HA       THR  18  -5.505   2.970   7.029
  153    HB   THR  18           HB       THR  18  -3.682   3.159   5.132
  154    HG1  THR  18           HG1      THR  18  -5.697   4.746   6.105
  155   1HG2  THR  18          HG21      THR  18  -5.562   2.307   3.434
  156   2HG2  THR  18          HG23      THR  18  -6.088   3.984   3.523
  157   3HG2  THR  18          HG22      THR  18  -4.465   3.598   2.958
  158    H    GLU  19           HN       GLU  19  -7.434   4.074   6.806
  159    HA   GLU  19           HA       GLU  19  -9.570   2.564   5.415
  160   1HB   GLU  19           HB2      GLU  19 -10.153   3.104   7.650
  161   2HB   GLU  19           HB1      GLU  19  -9.563   4.753   7.489
  162   1HG   GLU  19           HG2      GLU  19 -11.433   5.448   6.286
  163   2HG   GLU  19           HG1      GLU  19 -11.749   3.835   5.649
  164    H    ALA  20           HN       ALA  20 -10.275   3.168   3.482
  165    HA   ALA  20           HA       ALA  20 -10.081   6.050   2.712
  166   1HB   ALA  20           HB1      ALA  20  -8.882   3.686   1.399
  167   2HB   ALA  20           HB3      ALA  20  -9.703   4.811   0.322
  168   3HB   ALA  20           HB2      ALA  20  -8.385   5.375   1.344
  169    H    VAL  21           HN       VAL  21 -11.415   6.440   0.662
  170    HA   VAL  21           HA       VAL  21 -14.046   5.120   1.076
  171    HB   VAL  21           HB       VAL  21 -13.721   7.670   1.076
  172   1HG1  VAL  21          HG13      VAL  21 -12.316   7.317  -1.160
  173   2HG1  VAL  21          HG12      VAL  21 -13.904   7.443  -1.909
  174   3HG1  VAL  21          HG11      VAL  21 -13.284   8.768  -0.929
  175   1HG2  VAL  21          HG21      VAL  21 -15.705   6.378  -0.829
  176   2HG2  VAL  21          HG23      VAL  21 -15.930   6.589   0.904
  177   3HG2  VAL  21          HG22      VAL  21 -15.862   7.996  -0.152
  178    H    ASP  22           HN       ASP  22 -11.430   5.224  -1.131
  179    HA   ASP  22           HA       ASP  22 -12.847   3.346  -2.902
  180   1HB   ASP  22           HB2      ASP  22 -12.459   4.654  -4.937
  181   2HB   ASP  22           HB1      ASP  22 -13.446   5.580  -3.810
  182    H    ALA  23           HN       ALA  23 -11.334   2.617  -4.707
  183    HA   ALA  23           HA       ALA  23  -8.811   1.838  -3.501
  184   1HB   ALA  23           HB3      ALA  23 -10.215   1.316  -6.085
  185   2HB   ALA  23           HB2      ALA  23  -8.480   1.020  -6.018
  186   3HB   ALA  23           HB1      ALA  23  -9.562   0.172  -4.917
  187    H    ALA  24           HN       ALA  24  -9.827   4.223  -5.851
  188    HA   ALA  24           HA       ALA  24  -7.290   4.891  -6.941
  189   1HB   ALA  24           HB2      ALA  24  -9.909   5.868  -7.140
  190   2HB   ALA  24           HB1      ALA  24  -8.960   7.233  -6.561
  191   3HB   ALA  24           HB3      ALA  24  -8.513   6.420  -8.058
  192    H    THR  25           HN       THR  25  -9.039   6.509  -4.289
  193    HA   THR  25           HA       THR  25  -6.844   8.178  -3.536
  194    HB   THR  25           HB       THR  25  -9.367   8.341  -2.816
  195    HG1  THR  25           HG1      THR  25  -7.037   9.171  -1.920
  196   1HG2  THR  25          HG22      THR  25  -9.014   5.980  -1.597
  197   2HG2  THR  25          HG21      THR  25  -8.320   7.000  -0.341
  198   3HG2  THR  25          HG23      THR  25  -9.990   7.236  -0.843
  199    H    ALA  26           HN       ALA  26  -7.566   4.850  -2.899
  200    HA   ALA  26           HA       ALA  26  -5.882   4.562  -0.567
  201   1HB   ALA  26           HB3      ALA  26  -7.633   2.903  -1.211
  202   2HB   ALA  26           HB2      ALA  26  -6.650   2.444  -2.597
  203   3HB   ALA  26           HB1      ALA  26  -6.057   2.160  -0.964
  204    H    GLU  27           HN       GLU  27  -5.365   4.366  -4.031
  205    HA   GLU  27           HA       GLU  27  -2.722   3.271  -3.954
  206   1HB   GLU  27           HB2      GLU  27  -4.211   4.966  -5.957
  207   2HB   GLU  27           HB1      GLU  27  -2.551   4.464  -6.231
  208   1HG   GLU  27           HG2      GLU  27  -3.289   2.073  -5.864
  209   2HG   GLU  27           HG1      GLU  27  -4.950   2.655  -5.810
  210    H    LYS  28           HN       LYS  28  -3.952   6.578  -3.884
  211    HA   LYS  28           HA       LYS  28  -1.267   7.739  -3.834
  212   1HB   LYS  28           HB2      LYS  28  -3.801   9.179  -3.068
  213   2HB   LYS  28           HB1      LYS  28  -2.347   9.843  -3.801
  214   1HG   LYS  28           HG2      LYS  28  -2.811   8.506  -5.861
  215   2HG   LYS  28           HG1      LYS  28  -4.306   7.935  -5.128
  216   1HD   LYS  28           HD2      LYS  28  -5.092  10.279  -4.921
  217   2HD   LYS  28           HD1      LYS  28  -3.607  10.837  -5.682
  218   1HE   LYS  28           HE2      LYS  28  -4.816   8.744  -7.277
  219   2HE   LYS  28           HE1      LYS  28  -5.984  10.024  -6.978
  220   1HZ   LYS  28           HZ3      LYS  28  -3.390  11.031  -7.635
  221   2HZ   LYS  28           HZ2      LYS  28  -4.037  10.054  -8.864
  222   3HZ   LYS  28           HZ1      LYS  28  -4.903  11.405  -8.309
  223    H    VAL  29           HN       VAL  29  -3.846   7.155  -1.487
  224    HA   VAL  29           HA       VAL  29  -2.686   8.487   0.731
  225    HB   VAL  29           HB       VAL  29  -4.480   6.064   0.552
  226   1HG1  VAL  29          HG11      VAL  29  -3.304   7.471   2.949
  227   2HG1  VAL  29          HG13      VAL  29  -4.870   6.673   3.052
  228   3HG1  VAL  29          HG12      VAL  29  -3.433   5.741   2.648
  229   1HG2  VAL  29          HG23      VAL  29  -5.087   8.600  -0.013
  230   2HG2  VAL  29          HG22      VAL  29  -6.220   7.576   0.863
  231   3HG2  VAL  29          HG21      VAL  29  -5.206   8.718   1.741
  232    H    PHE  30           HN       PHE  30  -2.550   4.997   0.006
  233    HA   PHE  30           HA       PHE  30  -0.610   4.376   1.980
  234   1HB   PHE  30           HB2      PHE  30  -1.510   3.072  -0.559
  235   2HB   PHE  30           HB1      PHE  30  -0.041   2.479   0.205
  236    HD1  PHE  30           HD1      PHE  30  -0.337   2.286   2.936
  237    HD2  PHE  30           HD2      PHE  30  -3.470   1.959   0.063
  238    HE1  PHE  30           HE1      PHE  30  -1.702   1.034   4.553
  239    HE2  PHE  30           HE2      PHE  30  -4.809   0.693   1.681
  240    HZ   PHE  30           HZ       PHE  30  -3.920   0.199   3.914
  241    H    LYS  31           HN       LYS  31  -0.225   5.387  -1.397
  242    HA   LYS  31           HA       LYS  31   2.590   5.063  -1.567
  243   1HB   LYS  31           HB2      LYS  31   1.134   5.603  -3.502
  244   2HB   LYS  31           HB1      LYS  31   0.906   7.226  -2.863
  245   1HG   LYS  31           HG2      LYS  31   3.359   7.612  -2.992
  246   2HG   LYS  31           HG1      LYS  31   3.576   5.995  -3.647
  247   1HD   LYS  31           HD2      LYS  31   1.894   8.183  -4.924
  248   2HD   LYS  31           HD1      LYS  31   3.517   7.739  -5.434
  249   1HE   LYS  31           HE2      LYS  31   2.432   5.301  -5.551
  250   2HE   LYS  31           HE1      LYS  31   0.949   6.227  -5.749
  251   1HZ   LYS  31           HZ3      LYS  31   2.226   7.487  -7.524
  252   2HZ   LYS  31           HZ2      LYS  31   3.347   6.213  -7.467
  253   3HZ   LYS  31           HZ1      LYS  31   1.732   5.905  -7.892
  254    H    GLN  32           HN       GLN  32   0.634   7.650  -0.215
  255    HA   GLN  32           HA       GLN  32   2.729   9.534   0.221
  256   1HB   GLN  32           HB2      GLN  32   0.270   9.986   0.504
  257   2HB   GLN  32           HB1      GLN  32   0.323   9.066   2.003
  258   1HG   GLN  32           HG2      GLN  32   2.056  10.615   2.881
  259   2HG   GLN  32           HG1      GLN  32   1.971  11.545   1.387
  260   1HE2  GLN  32          HE22      GLN  32  -0.575  13.514   2.788
  261   2HE2  GLN  32          HE21      GLN  32   0.898  13.446   1.947
  262    OH   TYR  33           OH       TYR  33   4.999   2.869   8.437
  263    H    TYR  33           HN       TYR  33   1.719   6.673   1.945
  264    HA   TYR  33           HA       TYR  33   3.365   7.160   4.288
  265   1HB   TYR  33           HB2      TYR  33   1.385   5.661   4.339
  266   2HB   TYR  33           HB1      TYR  33   2.215   4.558   3.247
  267    HD1  TYR  33           HD1      TYR  33   4.380   3.489   3.999
  268    HD2  TYR  33           HD2      TYR  33   1.892   5.657   6.681
  269    HE1  TYR  33           HE1      TYR  33   5.521   2.446   5.895
  270    HE2  TYR  33           HE2      TYR  33   3.035   4.611   8.583
  271    HH   TYR  33           HH       TYR  33   4.960   3.478   9.179
  272    H    ALA  34           HN       ALA  34   3.630   4.656   1.781
  273    HA   ALA  34           HA       ALA  34   6.182   3.719   2.300
  274   1HB   ALA  34           HB2      ALA  34   4.385   3.503   0.182
  275   2HB   ALA  34           HB1      ALA  34   5.843   4.152  -0.562
  276   3HB   ALA  34           HB3      ALA  34   5.910   2.639   0.338
  277    H    ASN  35           HN       ASN  35   5.300   6.737   0.746
  278    HA   ASN  35           HA       ASN  35   7.811   7.495  -0.307
  279   1HB   ASN  35           HB2      ASN  35   5.594   8.718  -0.559
  280   2HB   ASN  35           HB1      ASN  35   5.885   9.398   1.039
  281   1HD2  ASN  35          HD22      ASN  35   8.165  10.635  -2.136
  282   2HD2  ASN  35          HD21      ASN  35   7.233   9.223  -2.265
  283    H    ASP  36           HN       ASP  36   6.521   7.836   2.963
  284    HA   ASP  36           HA       ASP  36   8.778   9.297   4.004
  285   1HB   ASP  36           HB2      ASP  36   6.485   7.779   5.194
  286   2HB   ASP  36           HB1      ASP  36   7.831   8.242   6.234
  287    H    ASN  37           HN       ASN  37   8.720   6.311   2.730
  288    HA   ASN  37           HA       ASN  37  10.869   5.300   4.562
  289   1HB   ASN  37           HB2      ASN  37   8.748   3.793   3.022
  290   2HB   ASN  37           HB1      ASN  37  10.169   3.005   3.705
  291   1HD2  ASN  37          HD22      ASN  37   7.276   4.472   6.226
  292   2HD2  ASN  37          HD21      ASN  37   7.359   5.037   4.627
  293    H    GLY  38           HN       GLY  38   9.886   6.032   1.335
  294   1HA   GLY  38           HA2      GLY  38  11.477   6.488  -0.425
  295   2HA   GLY  38           HA1      GLY  38  12.652   5.479   0.413
  296    H    VAL  39           HN       VAL  39   9.677   3.976   0.425
  297    HA   VAL  39           HA       VAL  39  10.584   2.053  -1.615
  298    HB   VAL  39           HB       VAL  39   8.185   2.066   0.235
  299   1HG1  VAL  39          HG11      VAL  39   9.144   0.115  -1.866
  300   2HG1  VAL  39          HG13      VAL  39   8.179  -0.424  -0.495
  301   3HG1  VAL  39          HG12      VAL  39   7.519   0.752  -1.628
  302   1HG2  VAL  39          HG23      VAL  39  10.569   1.775   1.161
  303   2HG2  VAL  39          HG22      VAL  39   9.428   0.487   1.533
  304   3HG2  VAL  39          HG21      VAL  39  10.621   0.265   0.256
  305    H    ASP  40           HN       ASP  40  10.302   3.032  -3.599
  306    HA   ASP  40           HA       ASP  40   7.476   3.341  -4.452
  307   1HB   ASP  40           HB2      ASP  40   9.501   5.505  -4.304
  308   2HB   ASP  40           HB1      ASP  40   8.541   5.443  -5.780
  309    H    GLY  41           HN       GLY  41   7.314   1.945  -6.086
  310   1HA   GLY  41           HA2      GLY  41   8.988   2.217  -8.442
  311   2HA   GLY  41           HA1      GLY  41   9.345   0.738  -7.553
  312    H    GLU  42           HN       GLU  42   7.599  -0.780  -7.216
  313    HA   GLU  42           HA       GLU  42   5.515  -0.606  -9.363
  314   1HB   GLU  42           HB2      GLU  42   6.342  -3.172  -8.083
  315   2HB   GLU  42           HB1      GLU  42   5.703  -2.900  -9.697
  316   1HG   GLU  42           HG2      GLU  42   7.853  -1.643 -10.221
  317   2HG   GLU  42           HG1      GLU  42   8.480  -2.222  -8.679
  318    CH2  TRP  43           CH2      TRP  43   2.164   2.498  -1.952
  319    H    TRP  43           HN       TRP  43   3.454  -0.595  -8.735
  320    HA   TRP  43           HA       TRP  43   2.840  -1.319  -5.891
  321   1HB   TRP  43           HB2      TRP  43   1.816   0.837  -7.705
  322   2HB   TRP  43           HB1      TRP  43   0.843   0.279  -6.355
  323    HD1  TRP  43           HD1      TRP  43   4.439   1.519  -7.049
  324    HE1  TRP  43           HE1      TRP  43   5.134   2.849  -4.993
  325    HE3  TRP  43           HE3      TRP  43   0.464   0.661  -4.189
  326    HZ2  TRP  43           HZ2      TRP  43   4.071   3.397  -2.278
  327    HZ3  TRP  43           HZ3      TRP  43   0.282   1.493  -1.900
  328    HH2  TRP  43           HH2      TRP  43   2.081   2.862  -0.938
  329    H    THR  44           HN       THR  44   1.217  -2.733  -5.499
  330    HA   THR  44           HA       THR  44  -0.391  -3.665  -7.854
  331    HB   THR  44           HB       THR  44  -0.175  -5.977  -7.048
  332    HG1  THR  44           HG1      THR  44  -0.167  -5.485  -4.853
  333   1HG2  THR  44          HG22      THR  44   1.891  -4.746  -8.217
  334   2HG2  THR  44          HG21      THR  44   2.603  -4.907  -6.615
  335   3HG2  THR  44          HG23      THR  44   2.103  -6.342  -7.505
  336    OH   TYR  45           OH       TYR  45  -8.857  -1.350  -2.951
  337    H    TYR  45           HN       TYR  45  -2.386  -4.806  -7.222
  338    HA   TYR  45           HA       TYR  45  -3.519  -3.891  -4.609
  339   1HB   TYR  45           HB2      TYR  45  -4.080  -2.397  -6.660
  340   2HB   TYR  45           HB1      TYR  45  -5.085  -3.743  -7.199
  341    HD1  TYR  45           HD1      TYR  45  -6.550  -4.706  -4.888
  342    HD2  TYR  45           HD2      TYR  45  -5.360  -0.717  -5.734
  343    HE1  TYR  45           HE1      TYR  45  -8.304  -3.872  -3.415
  344    HE2  TYR  45           HE2      TYR  45  -7.157   0.116  -4.308
  345    HH   TYR  45           HH       TYR  45  -8.488  -1.191  -2.079
  346    H    ASP  46           HN       ASP  46  -4.482  -5.544  -3.587
  347    HA   ASP  46           HA       ASP  46  -5.143  -7.998  -5.155
  348   1HB   ASP  46           HB2      ASP  46  -3.560  -8.027  -3.109
  349   2HB   ASP  46           HB1      ASP  46  -5.022  -7.813  -2.150
  350    H    ASP  47           HN       ASP  47  -7.112  -6.747  -5.853
  351    HA   ASP  47           HA       ASP  47  -9.164  -6.040  -3.980
  352   1HB   ASP  47           HB2      ASP  47  -9.085  -5.247  -6.336
  353   2HB   ASP  47           HB1      ASP  47  -9.486  -6.877  -6.874
  354    H    ALA  48           HN       ALA  48  -7.894  -8.980  -4.391
  355    HA   ALA  48           HA       ALA  48 -10.424 -10.505  -4.406
  356   1HB   ALA  48           HB2      ALA  48  -7.633 -11.077  -4.941
  357   2HB   ALA  48           HB1      ALA  48  -8.307 -12.248  -3.812
  358   3HB   ALA  48           HB3      ALA  48  -9.061 -12.007  -5.386
  359    H    THR  49           HN       THR  49  -8.273  -9.108  -2.149
  360    HA   THR  49           HA       THR  49  -9.819 -10.325   0.061
  361    HB   THR  49           HB       THR  49  -7.737 -11.012   1.279
  362    HG1  THR  49           HG1      THR  49  -6.381 -10.631  -1.146
  363   1HG2  THR  49          HG21      THR  49  -8.862 -12.613  -0.430
  364   2HG2  THR  49          HG23      THR  49  -7.594 -12.111  -1.547
  365   3HG2  THR  49          HG22      THR  49  -7.173 -12.938  -0.049
  366    H    LYS  50           HN       LYS  50  -9.103  -7.620  -1.268
  367    HA   LYS  50           HA       LYS  50  -8.728  -5.415  -0.541
  368   1HB   LYS  50           HB2      LYS  50  -9.676  -6.599   2.083
  369   2HB   LYS  50           HB1      LYS  50  -9.611  -4.882   1.698
  370   1HG   LYS  50           HG2      LYS  50 -11.469  -4.978   0.362
  371   2HG   LYS  50           HG1      LYS  50 -11.053  -6.563  -0.277
  372   1HD   LYS  50           HD2      LYS  50 -13.086  -6.673   1.139
  373   2HD   LYS  50           HD1      LYS  50 -11.775  -7.618   1.837
  374   1HE   LYS  50           HE2      LYS  50 -11.424  -6.105   3.566
  375   2HE   LYS  50           HE1      LYS  50 -12.021  -4.739   2.633
  376   1HZ   LYS  50           HZ1      LYS  50 -13.812  -6.925   3.491
  377   2HZ   LYS  50           HZ3      LYS  50 -13.471  -5.603   4.502
  378   3HZ   LYS  50           HZ2      LYS  50 -14.220  -5.351   2.998
  379    H    THR  51           HN       THR  51  -6.415  -6.491  -0.816
  380    HA   THR  51           HA       THR  51  -4.868  -5.689   1.621
  381    HB   THR  51           HB       THR  51  -4.055  -8.090  -0.052
  382    HG1  THR  51           HG1      THR  51  -5.602  -8.126   2.316
  383   1HG2  THR  51          HG23      THR  51  -2.787  -6.833   2.032
  384   2HG2  THR  51          HG22      THR  51  -3.792  -7.991   2.896
  385   3HG2  THR  51          HG21      THR  51  -2.634  -8.552   1.700
  386    H    PHE  52           HN       PHE  52  -3.671  -3.937   0.892
  387    HA   PHE  52           HA       PHE  52  -2.972  -3.701  -1.935
  388   1HB   PHE  52           HB2      PHE  52  -2.968  -1.979   0.394
  389   2HB   PHE  52           HB1      PHE  52  -1.464  -1.844  -0.505
  390    HD1  PHE  52           HD1      PHE  52  -1.490  -1.159  -2.914
  391    HD2  PHE  52           HD2      PHE  52  -5.042  -1.271  -0.606
  392    HE1  PHE  52           HE1      PHE  52  -2.661   0.175  -4.625
  393    HE2  PHE  52           HE2      PHE  52  -6.160   0.177  -2.217
  394    HZ   PHE  52           HZ       PHE  52  -4.961   0.935  -4.214
  395    H    THR  53           HN       THR  53  -0.684  -3.490  -2.638
  396    HA   THR  53           HA       THR  53   1.379  -4.463  -0.812
  397    HB   THR  53           HB       THR  53   0.436  -6.212  -3.109
  398    HG1  THR  53           HG1      THR  53   0.040  -7.565  -1.349
  399   1HG2  THR  53          HG22      THR  53   2.984  -6.101  -1.532
  400   2HG2  THR  53          HG21      THR  53   2.265  -7.688  -1.789
  401   3HG2  THR  53          HG23      THR  53   2.726  -6.696  -3.169
  402    H    VAL  54           HN       VAL  54   3.262  -3.589  -1.341
  403    HA   VAL  54           HA       VAL  54   3.702  -2.724  -4.174
  404    HB   VAL  54           HB       VAL  54   3.078  -0.796  -2.687
  405   1HG1  VAL  54          HG12      VAL  54   4.138  -1.854  -0.648
  406   2HG1  VAL  54          HG11      VAL  54   5.704  -1.387  -1.300
  407   3HG1  VAL  54          HG13      VAL  54   4.521  -0.154  -0.878
  408   1HG2  VAL  54          HG23      VAL  54   5.916  -0.892  -3.753
  409   2HG2  VAL  54          HG22      VAL  54   4.489  -0.294  -4.582
  410   3HG2  VAL  54          HG21      VAL  54   5.137   0.581  -3.204
  411    H    THR  55           HN       THR  55   5.901  -2.752  -4.818
  412    HA   THR  55           HA       THR  55   7.848  -3.951  -2.919
  413    HB   THR  55           HB       THR  55   7.220  -5.180  -5.638
  414    HG1  THR  55           HG1      THR  55   7.021  -6.526  -3.228
  415   1HG2  THR  55          HG22      THR  55   9.418  -5.491  -3.664
  416   2HG2  THR  55          HG21      THR  55   8.622  -6.995  -4.118
  417   3HG2  THR  55          HG23      THR  55   9.363  -5.985  -5.351
  418    H    GLU  56           HN       GLU  56   9.648  -2.758  -3.040
  419    HA   GLU  56           HA       GLU  56  10.124  -0.827  -5.106
  420   1HB   GLU  56           HB2      GLU  56  11.216  -1.399  -2.612
  421   2HB   GLU  56           HB1      GLU  56  12.542  -1.695  -3.725
  422   1HG   GLU  56           HG2      GLU  56  10.854   0.832  -3.626
  423   2HG   GLU  56           HG1      GLU  56  12.498   0.676  -3.013
   
  Start of MODEL           3
 Raw file had 423 H/Q atoms
  Entry Start of MODEL    3
    1   1H    MET   1           HT1      MET   1 -13.161   2.660   3.297
    2   2H    MET   1           HT3      MET   1 -13.669   1.748   1.957
    3   3H    MET   1           HT2      MET   1 -14.737   2.030   3.246
    4    HA   MET   1           HA       MET   1 -13.838   0.453   4.557
    5   1HB   MET   1           HB2      MET   1 -14.006  -0.303   1.858
    6   2HB   MET   1           HB1      MET   1 -12.472  -0.957   2.421
    7   1HG   MET   1           HG2      MET   1 -13.664  -1.891   4.406
    8   2HG   MET   1           HG1      MET   1 -15.171  -1.327   3.736
    9   1HE   MET   1           HE1      MET   1 -15.974  -3.658   4.403
   10   2HE   MET   1           HE3      MET   1 -16.754  -2.973   2.978
   11   3HE   MET   1           HE2      MET   1 -16.315  -4.681   3.007
   12    H    THR   2           HN       THR   2 -11.680  -1.168   4.494
   13    HA   THR   2           HA       THR   2  -9.295   0.620   4.408
   14    HB   THR   2           HB       THR   2  -9.811  -1.236   6.753
   15    HG1  THR   2           HG1      THR   2 -11.109   0.948   6.006
   16   1HG2  THR   2          HG21      THR   2  -7.516   0.043   6.054
   17   2HG2  THR   2          HG23      THR   2  -8.334   1.353   6.901
   18   3HG2  THR   2          HG22      THR   2  -8.001  -0.161   7.735
   19    OH   TYR   3           OH       TYR   3 -11.494   0.015  -1.173
   20    H    TYR   3           HN       TYR   3  -7.743  -0.323   3.249
   21    HA   TYR   3           HA       TYR   3  -7.816  -3.286   2.920
   22   1HB   TYR   3           HB2      TYR   3  -6.082  -1.361   1.364
   23   2HB   TYR   3           HB1      TYR   3  -6.574  -2.990   0.913
   24    HD1  TYR   3           HD1      TYR   3  -7.944   0.414   1.609
   25    HD2  TYR   3           HD2      TYR   3  -8.564  -3.325  -0.313
   26    HE1  TYR   3           HE1      TYR   3  -9.933   1.317   0.495
   27    HE2  TYR   3           HE2      TYR   3 -10.553  -2.426  -1.427
   28    HH   TYR   3           HH       TYR   3 -11.743  -0.595  -1.872
   29    H    LYS   4           HN       LYS   4  -5.525  -4.247   2.640
   30    HA   LYS   4           HA       LYS   4  -3.821  -3.237   4.895
   31   1HB   LYS   4           HB2      LYS   4  -5.078  -5.603   4.870
   32   2HB   LYS   4           HB1      LYS   4  -3.655  -6.062   3.952
   33   1HG   LYS   4           HG2      LYS   4  -2.341  -4.840   5.874
   34   2HG   LYS   4           HG1      LYS   4  -3.827  -5.072   6.786
   35   1HD   LYS   4           HD2      LYS   4  -3.734  -7.492   6.388
   36   2HD   LYS   4           HD1      LYS   4  -2.299  -7.297   5.387
   37   1HE   LYS   4           HE2      LYS   4  -0.929  -7.104   7.191
   38   2HE   LYS   4           HE1      LYS   4  -2.047  -6.040   8.034
   39   1HZ   LYS   4           HZ3      LYS   4  -3.387  -8.015   8.579
   40   2HZ   LYS   4           HZ2      LYS   4  -2.192  -8.996   7.876
   41   3HZ   LYS   4           HZ1      LYS   4  -1.826  -8.063   9.248
   42    H    LEU   5           HN       LEU   5  -1.942  -2.400   4.193
   43    HA   LEU   5           HA       LEU   5  -0.994  -3.080   1.489
   44   1HB   LEU   5           HB2      LEU   5  -0.883  -0.744   2.053
   45   2HB   LEU   5           HB1      LEU   5  -0.095  -1.080   3.584
   46    HG   LEU   5           HG       LEU   5   1.924  -1.930   2.265
   47   1HD1  LEU   5          HD13      LEU   5   0.423  -0.659  -0.045
   48   2HD1  LEU   5          HD12      LEU   5   2.065  -1.279  -0.105
   49   3HD1  LEU   5          HD11      LEU   5   0.720  -2.384   0.127
   50   1HD2  LEU   5          HD21      LEU   5   1.691   0.395   3.208
   51   2HD2  LEU   5          HD23      LEU   5   2.760   0.276   1.814
   52   3HD2  LEU   5          HD22      LEU   5   1.132   0.910   1.622
   53    H    ILE   6           HN       ILE   6   1.076  -3.916   1.054
   54    HA   ILE   6           HA       ILE   6   2.510  -5.164   3.314
   55    HB   ILE   6           HB       ILE   6   2.068  -6.493   0.637
   56   1HG1  ILE   6          HG12      ILE   6   0.749  -7.132   3.306
   57   2HG1  ILE   6          HG11      ILE   6  -0.039  -6.236   2.017
   58   1HG2  ILE   6          HG22      ILE   6   3.983  -6.913   2.646
   59   2HG2  ILE   6          HG21      ILE   6   2.778  -8.164   2.929
   60   3HG2  ILE   6          HG23      ILE   6   3.563  -8.039   1.360
   61   1HD1  ILE   6           HD3      ILE   6   1.186  -8.913   1.395
   62   2HD1  ILE   6           HD2      ILE   6  -0.391  -8.837   2.167
   63   3HD1  ILE   6           HD1      ILE   6  -0.143  -8.089   0.593
   64    H    LEU   7           HN       LEU   7   4.281  -3.915   3.363
   65    HA   LEU   7           HA       LEU   7   5.478  -2.857   0.928
   66   1HB   LEU   7           HB2      LEU   7   6.207  -2.728   3.842
   67   2HB   LEU   7           HB1      LEU   7   7.260  -2.068   2.596
   68    HG   LEU   7           HG       LEU   7   4.399  -1.312   2.368
   69   1HD1  LEU   7          HD12      LEU   7   6.174  -0.338   4.632
   70   2HD1  LEU   7          HD11      LEU   7   4.688   0.461   4.131
   71   3HD1  LEU   7          HD13      LEU   7   4.631  -1.170   4.792
   72   1HD2  LEU   7          HD22      LEU   7   6.399  -0.492   0.976
   73   2HD2  LEU   7          HD21      LEU   7   5.350   0.760   1.635
   74   3HD2  LEU   7          HD23      LEU   7   6.893   0.407   2.406
   75    H    ASN   8           HN       ASN   8   6.721  -4.020  -0.366
   76    HA   ASN   8           HA       ASN   8   8.354  -6.216   0.821
   77   1HB   ASN   8           HB2      ASN   8   6.827  -5.884  -1.634
   78   2HB   ASN   8           HB1      ASN   8   8.470  -6.378  -1.978
   79   1HD2  ASN   8          HD22      ASN   8   5.962  -9.152  -0.890
   80   2HD2  ASN   8          HD21      ASN   8   5.590  -7.706  -1.686
   81    H    GLY   9           HN       GLY   9   9.188  -3.571   1.190
   82   1HA   GLY   9           HA2      GLY   9  10.941  -2.517  -0.751
   83   2HA   GLY   9           HA1      GLY   9  11.133  -2.265   0.976
   84    H    LYS  10           HN       LYS  10  13.117  -2.771  -1.170
   85    HA   LYS  10           HA       LYS  10  14.162  -5.434  -0.926
   86   1HB   LYS  10           HB2      LYS  10  16.209  -4.497  -1.911
   87   2HB   LYS  10           HB1      LYS  10  14.787  -3.901  -2.759
   88   1HG   LYS  10           HG2      LYS  10  14.906  -1.925  -1.038
   89   2HG   LYS  10           HG1      LYS  10  16.569  -2.450  -0.810
   90   1HD   LYS  10           HD2      LYS  10  16.461  -2.449  -3.517
   91   2HD   LYS  10           HD1      LYS  10  15.289  -1.182  -3.175
   92   1HE   LYS  10           HE2      LYS  10  17.049  -0.196  -1.585
   93   2HE   LYS  10           HE1      LYS  10  18.192  -1.304  -2.333
   94   1HZ   LYS  10           HZ3      LYS  10  16.786  -0.028  -4.370
   95   2HZ   LYS  10           HZ2      LYS  10  17.292   1.170  -3.278
   96   3HZ   LYS  10           HZ1      LYS  10  18.431   0.122  -3.975
   97    H    THR  11           HN       THR  11  14.995  -2.396   0.699
   98    HA   THR  11           HA       THR  11  16.692  -3.922   2.604
   99    HB   THR  11           HB       THR  11  17.140  -1.370   3.328
  100    HG1  THR  11           HG1      THR  11  16.977  -0.445   0.979
  101   1HG2  THR  11          HG22      THR  11  18.166  -2.888   0.925
  102   2HG2  THR  11          HG21      THR  11  18.712  -1.241   1.221
  103   3HG2  THR  11          HG23      THR  11  19.023  -2.499   2.413
  104    H    LEU  12           HN       LEU  12  13.561  -3.268   2.367
  105    HA   LEU  12           HA       LEU  12  13.192  -3.337   5.279
  106   1HB   LEU  12           HB2      LEU  12  13.468  -0.876   4.581
  107   2HB   LEU  12           HB1      LEU  12  11.901  -1.049   3.800
  108    HG   LEU  12           HG       LEU  12  11.339  -2.146   6.220
  109   1HD1  LEU  12          HD11      LEU  12  13.684  -1.609   6.988
  110   2HD1  LEU  12          HD13      LEU  12  13.305   0.099   6.784
  111   3HD1  LEU  12          HD12      LEU  12  12.431  -0.860   7.974
  112   1HD2  LEU  12          HD22      LEU  12  11.321   0.797   5.467
  113   2HD2  LEU  12          HD21      LEU  12  10.045  -0.370   5.139
  114   3HD2  LEU  12          HD23      LEU  12  10.397   0.106   6.796
  115    H    LYS  13           HN       LYS  13  11.182  -4.101   5.876
  116    HA   LYS  13           HA       LYS  13   9.140  -4.483   3.755
  117   1HB   LYS  13           HB2      LYS  13  10.234  -6.727   5.474
  118   2HB   LYS  13           HB1      LYS  13   8.872  -6.868   4.373
  119   1HG   LYS  13           HG2      LYS  13  10.566  -5.932   2.591
  120   2HG   LYS  13           HG1      LYS  13  11.788  -6.480   3.733
  121   1HD   LYS  13           HD2      LYS  13   9.578  -8.187   2.538
  122   2HD   LYS  13           HD1      LYS  13  11.283  -8.261   2.107
  123   1HE   LYS  13           HE2      LYS  13  11.279  -9.933   3.689
  124   2HE   LYS  13           HE1      LYS  13  11.513  -8.568   4.775
  125   1HZ   LYS  13           HZ1      LYS  13   8.793  -9.422   4.055
  126   2HZ   LYS  13           HZ3      LYS  13   9.657 -10.261   5.253
  127   3HZ   LYS  13           HZ2      LYS  13   9.331  -8.605   5.443
  128    H    GLY  14           HN       GLY  14   7.131  -4.114   4.529
  129   1HA   GLY  14           HA2      GLY  14   6.544  -4.577   7.378
  130   2HA   GLY  14           HA1      GLY  14   6.473  -2.897   6.859
  131    H    GLU  15           HN       GLU  15   4.221  -3.004   7.480
  132    HA   GLU  15           HA       GLU  15   2.466  -3.411   5.264
  133   1HB   GLU  15           HB2      GLU  15   1.095  -5.254   6.511
  134   2HB   GLU  15           HB1      GLU  15   2.505  -5.738   5.577
  135   1HG   GLU  15           HG2      GLU  15   3.828  -6.055   7.490
  136   2HG   GLU  15           HG1      GLU  15   2.817  -5.007   8.482
  137    H    THR  16           HN       THR  16   0.775  -2.079   5.587
  138    HA   THR  16           HA       THR  16  -0.213  -1.632   8.345
  139    HB   THR  16           HB       THR  16   1.403   0.167   8.219
  140    HG1  THR  16           HG1      THR  16  -1.096   1.149   7.280
  141   1HG2  THR  16          HG22      THR  16   0.795   0.057   5.402
  142   2HG2  THR  16          HG21      THR  16   0.446   1.676   5.992
  143   3HG2  THR  16          HG23      THR  16   2.055   0.990   6.195
  144    H    THR  17           HN       THR  17  -2.316  -0.732   8.428
  145    HA   THR  17           HA       THR  17  -3.820  -1.066   5.872
  146    HB   THR  17           HB       THR  17  -5.712  -1.692   7.179
  147    HG1  THR  17           HG1      THR  17  -4.255  -0.334   9.217
  148   1HG2  THR  17          HG22      THR  17  -3.331  -3.008   7.748
  149   2HG2  THR  17          HG21      THR  17  -3.879  -2.511   9.344
  150   3HG2  THR  17          HG23      THR  17  -4.911  -3.514   8.330
  151    H    THR  18           HN       THR  18  -5.028   0.563   5.032
  152    HA   THR  18           HA       THR  18  -5.126   3.137   6.561
  153    HB   THR  18           HB       THR  18  -3.449   2.995   4.530
  154    HG1  THR  18           HG1      THR  18  -5.349   4.825   5.378
  155   1HG2  THR  18          HG21      THR  18  -5.492   2.100   3.070
  156   2HG2  THR  18          HG23      THR  18  -5.926   3.804   3.023
  157   3HG2  THR  18          HG22      THR  18  -4.374   3.272   2.383
  158    H    GLU  19           HN       GLU  19  -7.003   4.316   6.384
  159    HA   GLU  19           HA       GLU  19  -9.321   2.823   5.317
  160   1HB   GLU  19           HB2      GLU  19  -9.659   3.666   7.522
  161   2HB   GLU  19           HB1      GLU  19  -9.051   5.258   7.081
  162   1HG   GLU  19           HG2      GLU  19 -11.009   5.859   6.002
  163   2HG   GLU  19           HG1      GLU  19 -11.386   4.201   5.540
  164    H    ALA  20           HN       ALA  20 -10.186   3.276   3.404
  165    HA   ALA  20           HA       ALA  20  -9.960   6.040   2.321
  166   1HB   ALA  20           HB3      ALA  20  -8.776   3.571   1.196
  167   2HB   ALA  20           HB2      ALA  20  -9.641   4.585   0.046
  168   3HB   ALA  20           HB1      ALA  20  -8.297   5.251   0.969
  169    H    VAL  21           HN       VAL  21 -11.540   6.512   0.673
  170    HA   VAL  21           HA       VAL  21 -14.050   5.049   1.134
  171    HB   VAL  21           HB       VAL  21 -13.900   7.571   1.033
  172   1HG1  VAL  21          HG12      VAL  21 -12.313   7.488  -0.973
  173   2HG1  VAL  21          HG11      VAL  21 -13.724   7.130  -1.960
  174   3HG1  VAL  21          HG13      VAL  21 -13.623   8.654  -1.084
  175   1HG2  VAL  21          HG21      VAL  21 -15.809   5.793  -0.294
  176   2HG2  VAL  21          HG23      VAL  21 -16.114   7.177   0.748
  177   3HG2  VAL  21          HG22      VAL  21 -15.829   7.418  -0.972
  178    H    ASP  22           HN       ASP  22 -11.614   5.344  -1.326
  179    HA   ASP  22           HA       ASP  22 -12.992   3.217  -2.867
  180   1HB   ASP  22           HB2      ASP  22 -12.761   4.402  -4.984
  181   2HB   ASP  22           HB1      ASP  22 -13.677   5.408  -3.865
  182    H    ALA  23           HN       ALA  23 -11.479   2.516  -4.749
  183    HA   ALA  23           HA       ALA  23  -8.951   1.769  -3.546
  184   1HB   ALA  23           HB3      ALA  23 -10.440   1.150  -6.008
  185   2HB   ALA  23           HB2      ALA  23  -8.690   1.113  -6.196
  186   3HB   ALA  23           HB1      ALA  23  -9.468   0.095  -4.988
  187    H    ALA  24           HN       ALA  24  -9.966   4.251  -5.781
  188    HA   ALA  24           HA       ALA  24  -7.445   4.896  -6.930
  189   1HB   ALA  24           HB1      ALA  24 -10.052   5.976  -6.965
  190   2HB   ALA  24           HB3      ALA  24  -8.991   7.282  -6.449
  191   3HB   ALA  24           HB2      ALA  24  -8.689   6.453  -7.972
  192    H    THR  25           HN       THR  25  -9.061   6.583  -4.233
  193    HA   THR  25           HA       THR  25  -6.777   8.102  -3.480
  194    HB   THR  25           HB       THR  25  -8.948   8.765  -2.592
  195    HG1  THR  25           HG1      THR  25  -6.847   7.916  -1.010
  196   1HG2  THR  25          HG23      THR  25  -9.032   5.902  -1.797
  197   2HG2  THR  25          HG22      THR  25  -9.592   7.030  -0.571
  198   3HG2  THR  25          HG21      THR  25 -10.363   6.992  -2.152
  199    H    ALA  26           HN       ALA  26  -7.644   4.798  -2.869
  200    HA   ALA  26           HA       ALA  26  -5.908   4.377  -0.607
  201   1HB   ALA  26           HB1      ALA  26  -7.756   2.823  -1.331
  202   2HB   ALA  26           HB3      ALA  26  -6.734   2.328  -2.676
  203   3HB   ALA  26           HB2      ALA  26  -6.222   2.016  -1.020
  204    H    GLU  27           HN       GLU  27  -5.438   4.341  -4.075
  205    HA   GLU  27           HA       GLU  27  -2.831   3.121  -4.050
  206   1HB   GLU  27           HB2      GLU  27  -4.274   4.881  -6.037
  207   2HB   GLU  27           HB1      GLU  27  -2.666   4.243  -6.338
  208   1HG   GLU  27           HG2      GLU  27  -3.581   1.929  -5.912
  209   2HG   GLU  27           HG1      GLU  27  -5.189   2.643  -5.829
  210    H    LYS  28           HN       LYS  28  -3.951   6.477  -4.007
  211    HA   LYS  28           HA       LYS  28  -1.214   7.524  -3.975
  212   1HB   LYS  28           HB2      LYS  28  -3.555   9.211  -3.216
  213   2HB   LYS  28           HB1      LYS  28  -2.174   9.607  -4.234
  214   1HG   LYS  28           HG2      LYS  28  -3.100   7.923  -5.920
  215   2HG   LYS  28           HG1      LYS  28  -4.568   7.893  -4.949
  216   1HD   LYS  28           HD2      LYS  28  -4.768  10.359  -5.211
  217   2HD   LYS  28           HD1      LYS  28  -3.330  10.354  -6.225
  218   1HE   LYS  28           HE2      LYS  28  -5.005   8.354  -7.294
  219   2HE   LYS  28           HE1      LYS  28  -6.069   9.710  -6.940
  220   1HZ   LYS  28           HZ3      LYS  28  -3.530  10.313  -8.238
  221   2HZ   LYS  28           HZ2      LYS  28  -4.712   9.531  -9.175
  222   3HZ   LYS  28           HZ1      LYS  28  -5.057  11.027  -8.447
  223    H    VAL  29           HN       VAL  29  -3.782   6.933  -1.656
  224    HA   VAL  29           HA       VAL  29  -2.701   8.362   0.552
  225    HB   VAL  29           HB       VAL  29  -4.440   5.903   0.379
  226   1HG1  VAL  29          HG13      VAL  29  -3.276   7.310   2.780
  227   2HG1  VAL  29          HG12      VAL  29  -4.840   6.509   2.886
  228   3HG1  VAL  29          HG11      VAL  29  -3.402   5.580   2.476
  229   1HG2  VAL  29          HG23      VAL  29  -5.056   8.469  -0.142
  230   2HG2  VAL  29          HG22      VAL  29  -6.200   7.380   0.636
  231   3HG2  VAL  29          HG21      VAL  29  -5.251   8.500   1.608
  232    H    PHE  30           HN       PHE  30  -2.485   4.854  -0.074
  233    HA   PHE  30           HA       PHE  30  -0.536   4.328   1.908
  234   1HB   PHE  30           HB2      PHE  30  -1.344   2.968  -0.637
  235   2HB   PHE  30           HB1      PHE  30   0.128   2.439   0.162
  236    HD1  PHE  30           HD1      PHE  30  -0.246   2.282   2.908
  237    HD2  PHE  30           HD2      PHE  30  -3.237   1.717  -0.080
  238    HE1  PHE  30           HE1      PHE  30  -1.592   0.975   4.492
  239    HE2  PHE  30           HE2      PHE  30  -4.558   0.395   1.505
  240    HZ   PHE  30           HZ       PHE  30  -3.735  -0.003   3.783
  241    H    LYS  31           HN       LYS  31  -0.163   5.294  -1.474
  242    HA   LYS  31           HA       LYS  31   2.634   5.062  -1.702
  243   1HB   LYS  31           HB2      LYS  31   1.230   5.647  -3.612
  244   2HB   LYS  31           HB1      LYS  31   0.818   7.187  -2.863
  245   1HG   LYS  31           HG2      LYS  31   3.043   8.012  -3.079
  246   2HG   LYS  31           HG1      LYS  31   3.689   6.409  -3.410
  247   1HD   LYS  31           HD2      LYS  31   3.025   6.449  -5.614
  248   2HD   LYS  31           HD1      LYS  31   1.577   7.388  -5.266
  249   1HE   LYS  31           HE2      LYS  31   3.467   8.582  -6.560
  250   2HE   LYS  31           HE1      LYS  31   2.787   9.430  -5.178
  251   1HZ   LYS  31           HZ3      LYS  31   4.870   7.775  -4.293
  252   2HZ   LYS  31           HZ2      LYS  31   5.433   8.694  -5.605
  253   3HZ   LYS  31           HZ1      LYS  31   4.770   9.469  -4.249
  254    H    GLN  32           HN       GLN  32   0.705   7.676  -0.316
  255    HA   GLN  32           HA       GLN  32   2.848   9.483   0.189
  256   1HB   GLN  32           HB2      GLN  32   0.504  10.160   0.418
  257   2HB   GLN  32           HB1      GLN  32   0.296   9.045   1.763
  258   1HG   GLN  32           HG2      GLN  32   2.511  11.060   1.918
  259   2HG   GLN  32           HG1      GLN  32   0.862  11.604   2.210
  260   1HE2  GLN  32          HE22      GLN  32   0.487   9.444   5.123
  261   2HE2  GLN  32          HE21      GLN  32  -0.390   9.937   3.755
  262    OH   TYR  33           OH       TYR  33   4.918   2.586   8.260
  263    H    TYR  33           HN       TYR  33   1.682   6.668   1.923
  264    HA   TYR  33           HA       TYR  33   3.291   7.110   4.292
  265   1HB   TYR  33           HB2      TYR  33   1.311   5.653   4.359
  266   2HB   TYR  33           HB1      TYR  33   2.071   4.558   3.209
  267    HD1  TYR  33           HD1      TYR  33   4.180   3.355   3.861
  268    HD2  TYR  33           HD2      TYR  33   1.907   5.578   6.685
  269    HE1  TYR  33           HE1      TYR  33   5.330   2.203   5.691
  270    HE2  TYR  33           HE2      TYR  33   3.057   4.424   8.518
  271    HH   TYR  33           HH       TYR  33   4.254   2.280   8.882
  272    H    ALA  34           HN       ALA  34   3.590   4.708   1.686
  273    HA   ALA  34           HA       ALA  34   6.132   3.719   2.321
  274   1HB   ALA  34           HB1      ALA  34   4.371   3.423   0.204
  275   2HB   ALA  34           HB3      ALA  34   5.791   4.133  -0.558
  276   3HB   ALA  34           HB2      ALA  34   5.936   2.629   0.346
  277    H    ASN  35           HN       ASN  35   5.247   6.720   0.762
  278    HA   ASN  35           HA       ASN  35   7.820   7.461  -0.223
  279   1HB   ASN  35           HB2      ASN  35   5.860   8.702  -0.914
  280   2HB   ASN  35           HB1      ASN  35   5.504   9.155   0.751
  281   1HD2  ASN  35          HD22      ASN  35   7.311  12.127   0.216
  282   2HD2  ASN  35          HD21      ASN  35   5.848  11.403   0.686
  283    H    ASP  36           HN       ASP  36   6.315   7.796   2.936
  284    HA   ASP  36           HA       ASP  36   8.374   9.453   4.083
  285   1HB   ASP  36           HB2      ASP  36   6.372   7.576   5.367
  286   2HB   ASP  36           HB1      ASP  36   7.402   8.688   6.267
  287    H    ASN  37           HN       ASN  37   8.399   6.284   3.040
  288    HA   ASN  37           HA       ASN  37  10.589   5.525   4.935
  289   1HB   ASN  37           HB2      ASN  37   8.908   3.747   3.147
  290   2HB   ASN  37           HB1      ASN  37  10.113   3.202   4.311
  291   1HD2  ASN  37          HD22      ASN  37   6.689   4.923   5.831
  292   2HD2  ASN  37          HD21      ASN  37   7.333   5.513   4.375
  293    H    GLY  38           HN       GLY  38   9.789   6.191   1.649
  294   1HA   GLY  38           HA2      GLY  38  11.497   6.793   0.034
  295   2HA   GLY  38           HA1      GLY  38  12.644   5.789   0.916
  296    H    VAL  39           HN       VAL  39   9.656   4.267   0.591
  297    HA   VAL  39           HA       VAL  39  10.792   2.443  -1.444
  298    HB   VAL  39           HB       VAL  39   8.268   2.259   0.226
  299   1HG1  VAL  39          HG13      VAL  39   9.495   0.498  -1.884
  300   2HG1  VAL  39          HG12      VAL  39   8.583  -0.228  -0.567
  301   3HG1  VAL  39          HG11      VAL  39   7.805   0.923  -1.650
  302   1HG2  VAL  39          HG22      VAL  39  10.593   2.098   1.339
  303   2HG2  VAL  39          HG21      VAL  39   9.495   0.746   1.604
  304   3HG2  VAL  39          HG23      VAL  39  10.796   0.605   0.426
  305    H    ASP  40           HN       ASP  40  10.450   2.983  -3.511
  306    HA   ASP  40           HA       ASP  40   7.687   3.587  -4.374
  307   1HB   ASP  40           HB2      ASP  40  10.025   5.470  -4.682
  308   2HB   ASP  40           HB1      ASP  40   8.656   5.521  -5.792
  309    H    GLY  41           HN       GLY  41   7.322   2.202  -5.987
  310   1HA   GLY  41           HA2      GLY  41   9.064   2.070  -8.299
  311   2HA   GLY  41           HA1      GLY  41   9.196   0.616  -7.315
  312    H    GLU  42           HN       GLU  42   7.652  -0.924  -7.495
  313    HA   GLU  42           HA       GLU  42   5.448  -0.389  -9.431
  314   1HB   GLU  42           HB2      GLU  42   6.231  -3.071  -8.329
  315   2HB   GLU  42           HB1      GLU  42   5.388  -2.717  -9.831
  316   1HG   GLU  42           HG2      GLU  42   7.536  -1.430 -10.504
  317   2HG   GLU  42           HG1      GLU  42   8.309  -2.288  -9.173
  318    CH2  TRP  43           CH2      TRP  43   2.212   2.508  -2.071
  319    H    TRP  43           HN       TRP  43   3.331  -0.637  -8.881
  320    HA   TRP  43           HA       TRP  43   2.752  -1.279  -6.010
  321   1HB   TRP  43           HB2      TRP  43   1.700   0.866  -7.827
  322   2HB   TRP  43           HB1      TRP  43   0.755   0.323  -6.452
  323    HD1  TRP  43           HD1      TRP  43   4.322   1.585  -7.246
  324    HE1  TRP  43           HE1      TRP  43   5.088   2.883  -5.199
  325    HE3  TRP  43           HE3      TRP  43   0.434   0.705  -4.274
  326    HZ2  TRP  43           HZ2      TRP  43   4.112   3.405  -2.446
  327    HZ3  TRP  43           HZ3      TRP  43   0.329   1.506  -1.973
  328    HH2  TRP  43           HH2      TRP  43   2.161   2.861  -1.051
  329    H    THR  44           HN       THR  44   1.223  -2.770  -5.623
  330    HA   THR  44           HA       THR  44  -0.421  -3.711  -7.952
  331    HB   THR  44           HB       THR  44  -0.267  -6.008  -6.950
  332    HG1  THR  44           HG1      THR  44   0.575  -6.124  -5.000
  333   1HG2  THR  44          HG23      THR  44   1.840  -4.592  -8.223
  334   2HG2  THR  44          HG22      THR  44   2.577  -5.422  -6.856
  335   3HG2  THR  44          HG21      THR  44   1.696  -6.340  -8.072
  336    OH   TYR  45           OH       TYR  45  -8.912  -1.323  -3.126
  337    H    TYR  45           HN       TYR  45  -2.406  -4.899  -7.259
  338    HA   TYR  45           HA       TYR  45  -3.551  -3.901  -4.689
  339   1HB   TYR  45           HB2      TYR  45  -4.083  -2.418  -6.746
  340   2HB   TYR  45           HB1      TYR  45  -5.086  -3.761  -7.299
  341    HD1  TYR  45           HD1      TYR  45  -6.611  -4.703  -5.020
  342    HD2  TYR  45           HD2      TYR  45  -5.363  -0.730  -5.848
  343    HE1  TYR  45           HE1      TYR  45  -8.378  -3.848  -3.579
  344    HE2  TYR  45           HE2      TYR  45  -7.176   0.125  -4.455
  345    HH   TYR  45           HH       TYR  45  -8.526  -1.024  -2.299
  346    H    ASP  46           HN       ASP  46  -4.566  -5.510  -3.649
  347    HA   ASP  46           HA       ASP  46  -5.342  -7.948  -5.208
  348   1HB   ASP  46           HB2      ASP  46  -3.567  -8.031  -3.301
  349   2HB   ASP  46           HB1      ASP  46  -4.955  -7.898  -2.227
  350    H    ASP  47           HN       ASP  47  -7.407  -7.042  -5.743
  351    HA   ASP  47           HA       ASP  47  -9.240  -6.178  -3.656
  352   1HB   ASP  47           HB2      ASP  47  -9.505  -5.299  -5.904
  353   2HB   ASP  47           HB1      ASP  47  -9.696  -6.924  -6.557
  354    H    ALA  48           HN       ALA  48  -8.088  -9.166  -4.467
  355    HA   ALA  48           HA       ALA  48 -10.532 -10.722  -4.265
  356   1HB   ALA  48           HB1      ALA  48  -8.369 -11.486  -5.353
  357   2HB   ALA  48           HB3      ALA  48  -7.714 -11.681  -3.730
  358   3HB   ALA  48           HB2      ALA  48  -9.095 -12.645  -4.244
  359    H    THR  49           HN       THR  49  -8.131  -9.525  -2.018
  360    HA   THR  49           HA       THR  49  -9.840 -10.500   0.227
  361    HB   THR  49           HB       THR  49  -7.590 -10.915   1.480
  362    HG1  THR  49           HG1      THR  49  -6.935 -10.231  -1.124
  363   1HG2  THR  49          HG22      THR  49  -8.970 -12.565  -0.513
  364   2HG2  THR  49          HG21      THR  49  -7.250 -12.937  -0.440
  365   3HG2  THR  49          HG23      THR  49  -8.240 -13.061   1.011
  366    H    LYS  50           HN       LYS  50  -9.054  -7.874  -1.246
  367    HA   LYS  50           HA       LYS  50  -8.752  -5.632  -0.622
  368   1HB   LYS  50           HB2      LYS  50  -9.599  -6.603   2.117
  369   2HB   LYS  50           HB1      LYS  50  -9.733  -4.966   1.487
  370   1HG   LYS  50           HG2      LYS  50 -11.769  -5.487   0.665
  371   2HG   LYS  50           HG1      LYS  50 -11.008  -6.661  -0.402
  372   1HD   LYS  50           HD2      LYS  50 -11.080  -8.331   1.476
  373   2HD   LYS  50           HD1      LYS  50 -11.973  -7.158   2.434
  374   1HE   LYS  50           HE2      LYS  50 -13.821  -7.177   0.904
  375   2HE   LYS  50           HE1      LYS  50 -12.895  -8.052  -0.309
  376   1HZ   LYS  50           HZ1      LYS  50 -13.367  -9.240   2.344
  377   2HZ   LYS  50           HZ3      LYS  50 -14.562  -9.326   1.139
  378   3HZ   LYS  50           HZ2      LYS  50 -13.031 -10.011   0.867
  379    H    THR  51           HN       THR  51  -6.421  -6.508  -0.898
  380    HA   THR  51           HA       THR  51  -4.901  -5.643   1.514
  381    HB   THR  51           HB       THR  51  -4.452  -8.267   0.016
  382    HG1  THR  51           HG1      THR  51  -4.823  -7.838   2.765
  383   1HG2  THR  51          HG22      THR  51  -2.455  -6.732   1.247
  384   2HG2  THR  51          HG21      THR  51  -3.010  -7.796   2.531
  385   3HG2  THR  51          HG23      THR  51  -2.407  -8.474   1.025
  386    H    PHE  52           HN       PHE  52  -3.674  -3.966   0.800
  387    HA   PHE  52           HA       PHE  52  -2.970  -3.715  -2.025
  388   1HB   PHE  52           HB2      PHE  52  -3.012  -2.015   0.311
  389   2HB   PHE  52           HB1      PHE  52  -1.488  -1.859  -0.550
  390    HD1  PHE  52           HD1      PHE  52  -1.477  -1.148  -2.959
  391    HD2  PHE  52           HD2      PHE  52  -5.070  -1.334  -0.715
  392    HE1  PHE  52           HE1      PHE  52  -2.646   0.165  -4.689
  393    HE2  PHE  52           HE2      PHE  52  -6.185   0.089  -2.342
  394    HZ   PHE  52           HZ       PHE  52  -4.963   0.887  -4.308
  395    H    THR  53           HN       THR  53  -0.678  -3.435  -2.703
  396    HA   THR  53           HA       THR  53   1.396  -4.416  -0.896
  397    HB   THR  53           HB       THR  53   0.449  -6.141  -3.208
  398    HG1  THR  53           HG1      THR  53  -0.600  -6.462  -1.259
  399   1HG2  THR  53          HG23      THR  53   3.051  -5.991  -1.722
  400   2HG2  THR  53          HG22      THR  53   2.370  -7.591  -2.001
  401   3HG2  THR  53          HG21      THR  53   2.751  -6.546  -3.365
  402    H    VAL  54           HN       VAL  54   3.314  -3.583  -1.449
  403    HA   VAL  54           HA       VAL  54   3.690  -2.622  -4.259
  404    HB   VAL  54           HB       VAL  54   3.080  -0.739  -2.689
  405   1HG1  VAL  54          HG13      VAL  54   4.257  -1.837  -0.733
  406   2HG1  VAL  54          HG12      VAL  54   5.778  -1.308  -1.441
  407   3HG1  VAL  54          HG11      VAL  54   4.583  -0.123  -0.928
  408   1HG2  VAL  54          HG21      VAL  54   5.847  -0.791  -3.921
  409   2HG2  VAL  54          HG23      VAL  54   4.375  -0.143  -4.620
  410   3HG2  VAL  54          HG22      VAL  54   5.128   0.664  -3.256
  411    H    THR  55           HN       THR  55   5.873  -2.629  -4.949
  412    HA   THR  55           HA       THR  55   7.851  -3.877  -3.108
  413    HB   THR  55           HB       THR  55   7.297  -4.973  -5.900
  414    HG1  THR  55           HG1      THR  55   6.839  -6.244  -3.433
  415   1HG2  THR  55          HG23      THR  55   9.391  -5.401  -3.880
  416   2HG2  THR  55          HG22      THR  55   8.500  -6.876  -4.243
  417   3HG2  THR  55          HG21      THR  55   9.311  -5.998  -5.531
  418    H    GLU  56           HN       GLU  56   9.571  -2.567  -3.146
  419    HA   GLU  56           HA       GLU  56  10.038  -0.547  -5.093
  420   1HB   GLU  56           HB2      GLU  56  11.132  -1.201  -2.661
  421   2HB   GLU  56           HB1      GLU  56  12.452  -1.573  -3.760
  422   1HG   GLU  56           HG2      GLU  56  10.932   1.056  -3.636
  423   2HG   GLU  56           HG1      GLU  56  12.571   0.786  -3.050
   
  Start of MODEL           4
 Raw file had 423 H/Q atoms
  Entry Start of MODEL    4
    1   1H    MET   1           HT1      MET   1 -13.672   2.182   5.138
    2   2H    MET   1           HT3      MET   1 -15.082   1.577   4.410
    3   3H    MET   1           HT2      MET   1 -14.416   0.787   5.758
    4    HA   MET   1           HA       MET   1 -13.625  -0.562   4.135
    5   1HB   MET   1           HB2      MET   1 -14.015   1.849   2.468
    6   2HB   MET   1           HB1      MET   1 -12.684   0.807   1.976
    7   1HG   MET   1           HG2      MET   1 -14.965   0.271   0.981
    8   2HG   MET   1           HG1      MET   1 -14.084  -1.056   1.689
    9   1HE   MET   1           HE1      MET   1 -16.273  -1.707   0.802
   10   2HE   MET   1           HE3      MET   1 -16.621  -2.782   2.155
   11   3HE   MET   1           HE2      MET   1 -17.822  -1.598   1.638
   12    H    THR   2           HN       THR   2 -11.637  -1.286   4.537
   13    HA   THR   2           HA       THR   2  -9.355   0.615   4.483
   14    HB   THR   2           HB       THR   2  -9.896  -1.212   6.862
   15    HG1  THR   2           HG1      THR   2 -10.832   0.532   7.658
   16   1HG2  THR   2          HG21      THR   2  -7.482  -0.111   5.982
   17   2HG2  THR   2          HG23      THR   2  -8.092   1.094   7.113
   18   3HG2  THR   2          HG22      THR   2  -7.841  -0.566   7.644
   19    OH   TYR   3           OH       TYR   3 -11.585   0.198  -1.053
   20    H    TYR   3           HN       TYR   3  -7.827  -0.267   3.242
   21    HA   TYR   3           HA       TYR   3  -7.803  -3.225   2.897
   22   1HB   TYR   3           HB2      TYR   3  -6.130  -1.263   1.339
   23   2HB   TYR   3           HB1      TYR   3  -6.638  -2.876   0.868
   24    HD1  TYR   3           HD1      TYR   3  -7.945   0.536   1.618
   25    HD2  TYR   3           HD2      TYR   3  -8.688  -3.190  -0.288
   26    HE1  TYR   3           HE1      TYR   3  -9.951   1.473   0.564
   27    HE2  TYR   3           HE2      TYR   3 -10.693  -2.256  -1.340
   28    HH   TYR   3           HH       TYR   3 -11.360   0.443  -1.954
   29    H    LYS   4           HN       LYS   4  -5.691  -4.313   2.848
   30    HA   LYS   4           HA       LYS   4  -3.903  -3.192   4.968
   31   1HB   LYS   4           HB2      LYS   4  -5.136  -5.573   4.974
   32   2HB   LYS   4           HB1      LYS   4  -3.710  -6.029   4.059
   33   1HG   LYS   4           HG2      LYS   4  -2.475  -4.680   6.022
   34   2HG   LYS   4           HG1      LYS   4  -3.924  -5.148   6.904
   35   1HD   LYS   4           HD2      LYS   4  -3.542  -7.513   6.267
   36   2HD   LYS   4           HD1      LYS   4  -2.082  -7.039   5.405
   37   1HE   LYS   4           HE2      LYS   4  -1.730  -7.905   7.787
   38   2HE   LYS   4           HE1      LYS   4  -0.996  -6.349   7.424
   39   1HZ   LYS   4           HZ3      LYS   4  -3.642  -6.691   8.719
   40   2HZ   LYS   4           HZ2      LYS   4  -2.192  -6.399   9.554
   41   3HZ   LYS   4           HZ1      LYS   4  -2.805  -5.231   8.483
   42    H    LEU   5           HN       LEU   5  -1.957  -2.462   4.330
   43    HA   LEU   5           HA       LEU   5  -1.047  -3.092   1.591
   44   1HB   LEU   5           HB2      LEU   5  -0.897  -0.769   2.191
   45   2HB   LEU   5           HB1      LEU   5  -0.118  -1.138   3.719
   46    HG   LEU   5           HG       LEU   5   1.894  -1.992   2.393
   47   1HD1  LEU   5          HD11      LEU   5   0.386  -0.700   0.098
   48   2HD1  LEU   5          HD13      LEU   5   2.037  -1.297   0.024
   49   3HD1  LEU   5          HD12      LEU   5   0.707  -2.422   0.252
   50   1HD2  LEU   5          HD21      LEU   5   1.629   0.360   3.343
   51   2HD2  LEU   5          HD23      LEU   5   2.776   0.192   2.019
   52   3HD2  LEU   5          HD22      LEU   5   1.178   0.859   1.718
   53    H    ILE   6           HN       ILE   6   1.021  -3.945   1.144
   54    HA   ILE   6           HA       ILE   6   2.437  -5.259   3.376
   55    HB   ILE   6           HB       ILE   6   1.561  -6.458   0.756
   56   1HG1  ILE   6          HG12      ILE   6   1.431  -7.455   3.629
   57   2HG1  ILE   6          HG11      ILE   6   0.112  -6.625   2.819
   58   1HG2  ILE   6          HG21      ILE   6   3.851  -7.235   2.574
   59   2HG2  ILE   6          HG23      ILE   6   3.045  -8.432   1.570
   60   3HG2  ILE   6          HG22      ILE   6   3.860  -7.067   0.822
   61   1HD1  ILE   6           HD3      ILE   6   0.628  -8.561   0.979
   62   2HD1  ILE   6           HD2      ILE   6   1.108  -9.404   2.447
   63   3HD1  ILE   6           HD1      ILE   6  -0.525  -8.769   2.292
   64    H    LEU   7           HN       LEU   7   4.235  -4.014   3.441
   65    HA   LEU   7           HA       LEU   7   5.437  -2.943   1.012
   66   1HB   LEU   7           HB2      LEU   7   6.238  -2.876   3.910
   67   2HB   LEU   7           HB1      LEU   7   7.217  -2.150   2.642
   68    HG   LEU   7           HG       LEU   7   4.329  -1.471   2.576
   69   1HD1  LEU   7          HD12      LEU   7   6.192  -0.544   4.784
   70   2HD1  LEU   7          HD11      LEU   7   4.692   0.280   4.366
   71   3HD1  LEU   7          HD13      LEU   7   4.650  -1.371   4.978
   72   1HD2  LEU   7          HD23      LEU   7   6.107  -0.531   1.060
   73   2HD2  LEU   7          HD22      LEU   7   5.230   0.705   1.956
   74   3HD2  LEU   7          HD21      LEU   7   6.845   0.226   2.469
   75    H    ASN   8           HN       ASN   8   6.684  -4.077  -0.298
   76    HA   ASN   8           HA       ASN   8   8.339  -6.275   0.853
   77   1HB   ASN   8           HB2      ASN   8   6.710  -5.992  -1.556
   78   2HB   ASN   8           HB1      ASN   8   8.328  -6.552  -1.920
   79   1HD2  ASN   8          HD22      ASN   8   5.789  -9.225  -0.703
   80   2HD2  ASN   8          HD21      ASN   8   5.458  -7.820  -1.584
   81    H    GLY   9           HN       GLY   9   9.087  -3.550   1.029
   82   1HA   GLY   9           HA2      GLY   9  10.762  -2.606  -1.035
   83   2HA   GLY   9           HA1      GLY   9  10.987  -2.215   0.664
   84    H    LYS  10           HN       LYS  10  12.905  -2.880  -1.529
   85    HA   LYS  10           HA       LYS  10  14.032  -5.479  -0.960
   86   1HB   LYS  10           HB2      LYS  10  14.484  -4.335  -3.081
   87   2HB   LYS  10           HB1      LYS  10  15.284  -3.023  -2.220
   88   1HG   LYS  10           HG2      LYS  10  17.200  -4.217  -1.966
   89   2HG   LYS  10           HG1      LYS  10  16.326  -5.671  -1.493
   90   1HD   LYS  10           HD2      LYS  10  17.530  -6.008  -3.633
   91   2HD   LYS  10           HD1      LYS  10  15.789  -6.130  -3.860
   92   1HE   LYS  10           HE2      LYS  10  16.707  -3.375  -4.118
   93   2HE   LYS  10           HE1      LYS  10  17.529  -4.434  -5.257
   94   1HZ   LYS  10           HZ3      LYS  10  14.884  -5.194  -5.301
   95   2HZ   LYS  10           HZ2      LYS  10  14.860  -3.496  -5.298
   96   3HZ   LYS  10           HZ1      LYS  10  15.724  -4.331  -6.499
   97    H    THR  11           HN       THR  11  14.535  -2.236   0.255
   98    HA   THR  11           HA       THR  11  16.638  -3.238   2.106
   99    HB   THR  11           HB       THR  11  16.678  -0.591   2.560
  100    HG1  THR  11           HG1      THR  11  15.249   0.265   1.253
  101   1HG2  THR  11          HG22      THR  11  17.833  -2.240   0.347
  102   2HG2  THR  11          HG21      THR  11  17.912  -0.492   0.152
  103   3HG2  THR  11          HG23      THR  11  18.669  -1.257   1.545
  104    H    LEU  12           HN       LEU  12  13.374  -2.930   2.037
  105    HA   LEU  12           HA       LEU  12  13.190  -3.015   4.956
  106   1HB   LEU  12           HB2      LEU  12  13.279  -0.517   4.231
  107   2HB   LEU  12           HB1      LEU  12  11.650  -0.794   3.632
  108    HG   LEU  12           HG       LEU  12  11.065  -1.720   5.933
  109   1HD1  LEU  12          HD13      LEU  12  13.909  -1.261   6.306
  110   2HD1  LEU  12          HD12      LEU  12  12.987  -0.306   7.459
  111   3HD1  LEU  12          HD11      LEU  12  12.769  -2.050   7.388
  112   1HD2  LEU  12          HD23      LEU  12  10.507   0.598   5.149
  113   2HD2  LEU  12          HD22      LEU  12  10.753   0.504   6.890
  114   3HD2  LEU  12          HD21      LEU  12  12.018   1.163   5.856
  115    H    LYS  13           HN       LYS  13  11.180  -3.754   5.695
  116    HA   LYS  13           HA       LYS  13   9.090  -4.314   3.659
  117   1HB   LYS  13           HB2      LYS  13  10.332  -6.451   5.427
  118   2HB   LYS  13           HB1      LYS  13   8.930  -6.677   4.395
  119   1HG   LYS  13           HG2      LYS  13  10.623  -7.439   2.981
  120   2HG   LYS  13           HG1      LYS  13  10.517  -5.757   2.494
  121   1HD   LYS  13           HD2      LYS  13  12.740  -5.623   2.934
  122   2HD   LYS  13           HD1      LYS  13  12.330  -5.715   4.638
  123   1HE   LYS  13           HE2      LYS  13  13.942  -7.468   4.133
  124   2HE   LYS  13           HE1      LYS  13  12.384  -8.219   4.460
  125   1HZ   LYS  13           HZ2      LYS  13  12.361  -7.699   1.775
  126   2HZ   LYS  13           HZ1      LYS  13  13.938  -8.251   2.077
  127   3HZ   LYS  13           HZ3      LYS  13  12.604  -9.210   2.511
  128    H    GLY  14           HN       GLY  14   7.011  -4.502   4.545
  129   1HA   GLY  14           HA2      GLY  14   6.494  -4.785   7.356
  130   2HA   GLY  14           HA1      GLY  14   6.476  -3.078   6.927
  131    H    GLU  15           HN       GLU  15   4.224  -3.095   7.531
  132    HA   GLU  15           HA       GLU  15   2.445  -3.372   5.307
  133   1HB   GLU  15           HB2      GLU  15   1.008  -5.201   6.258
  134   2HB   GLU  15           HB1      GLU  15   2.585  -5.760   5.717
  135   1HG   GLU  15           HG2      GLU  15   2.848  -4.897   8.435
  136   2HG   GLU  15           HG1      GLU  15   1.451  -5.964   8.338
  137    H    THR  16           HN       THR  16   0.585  -2.226   5.689
  138    HA   THR  16           HA       THR  16  -0.294  -1.711   8.448
  139    HB   THR  16           HB       THR  16   1.411   0.041   8.245
  140    HG1  THR  16           HG1      THR  16  -0.069   1.322   9.049
  141   1HG2  THR  16          HG22      THR  16   0.795   0.025   5.524
  142   2HG2  THR  16          HG21      THR  16   0.033   1.503   6.097
  143   3HG2  THR  16          HG23      THR  16   1.760   1.255   6.330
  144    H    THR  17           HN       THR  17  -2.396  -0.828   8.563
  145    HA   THR  17           HA       THR  17  -3.915  -1.091   6.007
  146    HB   THR  17           HB       THR  17  -5.795  -1.759   7.312
  147    HG1  THR  17           HG1      THR  17  -5.676  -1.219   9.618
  148   1HG2  THR  17          HG22      THR  17  -3.416  -3.082   7.831
  149   2HG2  THR  17          HG21      THR  17  -3.925  -2.598   9.444
  150   3HG2  THR  17          HG23      THR  17  -4.984  -3.591   8.448
  151    H    THR  18           HN       THR  18  -5.108   0.559   5.206
  152    HA   THR  18           HA       THR  18  -5.296   3.068   6.826
  153    HB   THR  18           HB       THR  18  -3.494   3.041   4.898
  154    HG1  THR  18           HG1      THR  18  -4.554   5.228   4.369
  155   1HG2  THR  18          HG22      THR  18  -5.445   2.196   3.278
  156   2HG2  THR  18          HG21      THR  18  -5.877   3.902   3.275
  157   3HG2  THR  18          HG23      THR  18  -4.288   3.396   2.712
  158    H    GLU  19           HN       GLU  19  -7.165   4.271   6.537
  159    HA   GLU  19           HA       GLU  19  -9.430   2.777   5.393
  160   1HB   GLU  19           HB2      GLU  19  -9.524   5.521   6.650
  161   2HB   GLU  19           HB1      GLU  19 -10.824   4.341   6.525
  162   1HG   GLU  19           HG2      GLU  19  -9.478   2.792   7.984
  163   2HG   GLU  19           HG1      GLU  19  -8.303   4.088   8.199
  164    H    ALA  20           HN       ALA  20 -10.231   3.120   3.421
  165    HA   ALA  20           HA       ALA  20  -9.825   5.772   2.129
  166   1HB   ALA  20           HB3      ALA  20  -8.607   3.230   1.339
  167   2HB   ALA  20           HB2      ALA  20  -9.506   3.993   0.031
  168   3HB   ALA  20           HB1      ALA  20  -8.205   4.867   0.833
  169    H    VAL  21           HN       VAL  21 -11.452   6.361   0.705
  170    HA   VAL  21           HA       VAL  21 -13.938   4.800   0.952
  171    HB   VAL  21           HB       VAL  21 -13.709   7.379   1.102
  172   1HG1  VAL  21          HG11      VAL  21 -12.463   7.252  -1.230
  173   2HG1  VAL  21          HG13      VAL  21 -14.098   7.256  -1.876
  174   3HG1  VAL  21          HG12      VAL  21 -13.540   8.599  -0.885
  175   1HG2  VAL  21          HG21      VAL  21 -15.763   5.747  -0.340
  176   2HG2  VAL  21          HG23      VAL  21 -15.918   6.672   1.150
  177   3HG2  VAL  21          HG22      VAL  21 -15.920   7.500  -0.404
  178    H    ASP  22           HN       ASP  22 -11.398   5.197  -1.299
  179    HA   ASP  22           HA       ASP  22 -12.816   3.423  -3.188
  180   1HB   ASP  22           HB2      ASP  22 -12.604   4.836  -5.085
  181   2HB   ASP  22           HB1      ASP  22 -13.239   5.882  -3.818
  182    H    ALA  23           HN       ALA  23 -11.217   2.999  -5.128
  183    HA   ALA  23           HA       ALA  23  -8.774   1.982  -3.890
  184   1HB   ALA  23           HB3      ALA  23 -10.207   1.635  -6.445
  185   2HB   ALA  23           HB2      ALA  23  -8.455   1.502  -6.556
  186   3HB   ALA  23           HB1      ALA  23  -9.351   0.448  -5.467
  187    H    ALA  24           HN       ALA  24  -9.570   4.413  -6.342
  188    HA   ALA  24           HA       ALA  24  -6.987   5.127  -7.166
  189   1HB   ALA  24           HB3      ALA  24  -9.284   6.055  -7.929
  190   2HB   ALA  24           HB2      ALA  24  -9.084   7.219  -6.623
  191   3HB   ALA  24           HB1      ALA  24  -7.910   7.157  -7.934
  192    H    THR  25           HN       THR  25  -8.816   6.557  -4.465
  193    HA   THR  25           HA       THR  25  -6.613   8.161  -3.555
  194    HB   THR  25           HB       THR  25  -8.985   8.628  -2.890
  195    HG1  THR  25           HG1      THR  25  -7.822   8.082  -0.478
  196   1HG2  THR  25          HG21      THR  25  -9.363   6.050  -2.395
  197   2HG2  THR  25          HG23      THR  25  -8.649   6.449  -0.836
  198   3HG2  THR  25          HG22      THR  25 -10.129   7.245  -1.356
  199    H    ALA  26           HN       ALA  26  -7.593   4.861  -2.956
  200    HA   ALA  26           HA       ALA  26  -5.928   4.429  -0.654
  201   1HB   ALA  26           HB1      ALA  26  -7.783   2.906  -1.387
  202   2HB   ALA  26           HB3      ALA  26  -6.762   2.385  -2.724
  203   3HB   ALA  26           HB2      ALA  26  -6.271   2.065  -1.062
  204    H    GLU  27           HN       GLU  27  -5.357   4.399  -4.098
  205    HA   GLU  27           HA       GLU  27  -2.785   3.109  -4.021
  206   1HB   GLU  27           HB2      GLU  27  -4.113   4.942  -6.022
  207   2HB   GLU  27           HB1      GLU  27  -2.526   4.238  -6.287
  208   1HG   GLU  27           HG2      GLU  27  -3.526   1.966  -5.941
  209   2HG   GLU  27           HG1      GLU  27  -5.110   2.721  -5.823
  210    H    LYS  28           HN       LYS  28  -3.717   6.542  -4.299
  211    HA   LYS  28           HA       LYS  28  -0.972   7.450  -4.034
  212   1HB   LYS  28           HB2      LYS  28  -1.846   9.653  -4.176
  213   2HB   LYS  28           HB1      LYS  28  -2.889   8.678  -5.203
  214   1HG   LYS  28           HG2      LYS  28  -4.232   8.375  -2.911
  215   2HG   LYS  28           HG1      LYS  28  -3.469   9.914  -2.544
  216   1HD   LYS  28           HD2      LYS  28  -5.159   9.293  -4.990
  217   2HD   LYS  28           HD1      LYS  28  -5.643  10.296  -3.628
  218   1HE   LYS  28           HE2      LYS  28  -3.617  10.867  -5.776
  219   2HE   LYS  28           HE1      LYS  28  -4.908  11.897  -5.172
  220   1HZ   LYS  28           HZ2      LYS  28  -3.501  11.686  -2.976
  221   2HZ   LYS  28           HZ1      LYS  28  -2.242  11.428  -4.087
  222   3HZ   LYS  28           HZ3      LYS  28  -3.155  12.859  -4.154
  223    H    VAL  29           HN       VAL  29  -3.558   6.769  -1.810
  224    HA   VAL  29           HA       VAL  29  -2.565   8.322   0.405
  225    HB   VAL  29           HB       VAL  29  -4.357   5.911   0.197
  226   1HG1  VAL  29          HG11      VAL  29  -3.194   7.235   2.643
  227   2HG1  VAL  29          HG13      VAL  29  -4.781   6.476   2.705
  228   3HG1  VAL  29          HG12      VAL  29  -3.361   5.516   2.301
  229   1HG2  VAL  29          HG22      VAL  29  -4.867   8.521  -0.270
  230   2HG2  VAL  29          HG21      VAL  29  -6.070   7.438   0.425
  231   3HG2  VAL  29          HG23      VAL  29  -5.124   8.492   1.471
  232    H    PHE  30           HN       PHE  30  -2.440   4.786  -0.057
  233    HA   PHE  30           HA       PHE  30  -0.541   4.259   1.956
  234   1HB   PHE  30           HB2      PHE  30  -1.332   2.875  -0.578
  235   2HB   PHE  30           HB1      PHE  30   0.121   2.325   0.244
  236    HD1  PHE  30           HD1      PHE  30  -0.264   2.198   2.974
  237    HD2  PHE  30           HD2      PHE  30  -3.284   1.732   0.003
  238    HE1  PHE  30           HE1      PHE  30  -1.657   0.954   4.573
  239    HE2  PHE  30           HE2      PHE  30  -4.653   0.486   1.607
  240    HZ   PHE  30           HZ       PHE  30  -3.835   0.056   3.879
  241    H    LYS  31           HN       LYS  31  -0.078   5.278  -1.390
  242    HA   LYS  31           HA       LYS  31   2.751   4.969  -1.500
  243   1HB   LYS  31           HB2      LYS  31   1.392   5.436  -3.495
  244   2HB   LYS  31           HB1      LYS  31   1.006   7.034  -2.862
  245   1HG   LYS  31           HG2      LYS  31   3.136   7.860  -3.253
  246   2HG   LYS  31           HG1      LYS  31   3.896   6.284  -3.065
  247   1HD   LYS  31           HD2      LYS  31   3.250   5.588  -5.240
  248   2HD   LYS  31           HD1      LYS  31   2.046   6.865  -5.383
  249   1HE   LYS  31           HE2      LYS  31   4.892   7.681  -4.950
  250   2HE   LYS  31           HE1      LYS  31   4.450   7.078  -6.542
  251   1HZ   LYS  31           HZ1      LYS  31   2.595   8.984  -5.434
  252   2HZ   LYS  31           HZ3      LYS  31   4.145   9.612  -5.729
  253   3HZ   LYS  31           HZ2      LYS  31   3.266   8.894  -6.992
  254    H    GLN  32           HN       GLN  32   0.711   7.420  -0.091
  255    HA   GLN  32           HA       GLN  32   2.787   9.377   0.343
  256   1HB   GLN  32           HB2      GLN  32   0.289   9.802   0.447
  257   2HB   GLN  32           HB1      GLN  32   0.281   8.979   2.001
  258   1HG   GLN  32           HG2      GLN  32   2.138  10.628   2.699
  259   2HG   GLN  32           HG1      GLN  32   1.707  11.546   1.258
  260   1HE2  GLN  32          HE22      GLN  32  -0.372  12.385   4.430
  261   2HE2  GLN  32          HE21      GLN  32   1.267  11.955   4.333
  262    OH   TYR  33           OH       TYR  33   4.910   2.464   8.366
  263    H    TYR  33           HN       TYR  33   1.737   6.506   1.992
  264    HA   TYR  33           HA       TYR  33   3.166   7.059   4.465
  265   1HB   TYR  33           HB2      TYR  33   1.273   5.508   4.477
  266   2HB   TYR  33           HB1      TYR  33   2.090   4.471   3.314
  267    HD1  TYR  33           HD1      TYR  33   4.243   3.340   3.977
  268    HD2  TYR  33           HD2      TYR  33   1.815   5.379   6.811
  269    HE1  TYR  33           HE1      TYR  33   5.397   2.181   5.798
  270    HE2  TYR  33           HE2      TYR  33   2.969   4.216   8.635
  271    HH   TYR  33           HH       TYR  33   5.527   3.080   8.768
  272    H    ALA  34           HN       ALA  34   3.710   4.759   1.816
  273    HA   ALA  34           HA       ALA  34   6.280   3.890   2.566
  274   1HB   ALA  34           HB2      ALA  34   4.685   3.939   0.100
  275   2HB   ALA  34           HB1      ALA  34   6.422   3.963  -0.189
  276   3HB   ALA  34           HB3      ALA  34   5.704   2.658   0.749
  277    H    ASN  35           HN       ASN  35   5.248   6.841   1.022
  278    HA   ASN  35           HA       ASN  35   7.720   7.783   0.014
  279   1HB   ASN  35           HB2      ASN  35   5.980   9.171  -0.611
  280   2HB   ASN  35           HB1      ASN  35   5.195   9.063   0.959
  281   1HD2  ASN  35          HD22      ASN  35   6.577  12.114   1.984
  282   2HD2  ASN  35          HD21      ASN  35   5.289  11.010   2.051
  283    H    ASP  36           HN       ASP  36   6.412   7.783   3.272
  284    HA   ASP  36           HA       ASP  36   8.468   9.491   4.392
  285   1HB   ASP  36           HB2      ASP  36   6.231   7.852   5.407
  286   2HB   ASP  36           HB1      ASP  36   7.582   8.037   6.519
  287    H    ASN  37           HN       ASN  37   8.893   6.709   2.906
  288    HA   ASN  37           HA       ASN  37  11.160   5.917   4.680
  289   1HB   ASN  37           HB2      ASN  37   9.292   3.977   3.289
  290   2HB   ASN  37           HB1      ASN  37  10.675   3.551   4.294
  291   1HD2  ASN  37          HD22      ASN  37   7.231   4.906   6.064
  292   2HD2  ASN  37          HD21      ASN  37   7.477   5.150   4.401
  293    H    GLY  38           HN       GLY  38   9.755   6.085   1.483
  294   1HA   GLY  38           HA2      GLY  38  11.136   6.677  -0.440
  295   2HA   GLY  38           HA1      GLY  38  12.503   5.892   0.343
  296    H    VAL  39           HN       VAL  39   9.390   4.358   0.331
  297    HA   VAL  39           HA       VAL  39  10.513   2.211  -1.389
  298    HB   VAL  39           HB       VAL  39   7.952   2.232   0.232
  299   1HG1  VAL  39          HG13      VAL  39   9.556   0.011  -1.083
  300   2HG1  VAL  39          HG12      VAL  39   8.157  -0.240  -0.044
  301   3HG1  VAL  39          HG11      VAL  39   7.970   0.581  -1.590
  302   1HG2  VAL  39          HG23      VAL  39  10.671   2.135   1.089
  303   2HG2  VAL  39          HG22      VAL  39   9.228   1.861   2.060
  304   3HG2  VAL  39          HG21      VAL  39  10.017   0.509   1.255
  305    H    ASP  40           HN       ASP  40  10.289   3.487  -3.348
  306    HA   ASP  40           HA       ASP  40   7.465   3.544  -4.354
  307   1HB   ASP  40           HB2      ASP  40   9.583   5.364  -5.451
  308   2HB   ASP  40           HB1      ASP  40   7.835   5.579  -5.434
  309    H    GLY  41           HN       GLY  41   7.138   2.174  -5.976
  310   1HA   GLY  41           HA2      GLY  41   8.946   1.924  -8.208
  311   2HA   GLY  41           HA1      GLY  41   9.078   0.522  -7.150
  312    H    GLU  42           HN       GLU  42   7.645  -1.084  -7.427
  313    HA   GLU  42           HA       GLU  42   5.426  -0.636  -9.355
  314   1HB   GLU  42           HB2      GLU  42   6.559  -3.184  -8.193
  315   2HB   GLU  42           HB1      GLU  42   5.301  -3.106  -9.416
  316   1HG   GLU  42           HG2      GLU  42   6.767  -2.366 -11.071
  317   2HG   GLU  42           HG1      GLU  42   7.874  -1.639  -9.910
  318    CH2  TRP  43           CH2      TRP  43   2.240   2.371  -2.080
  319    H    TRP  43           HN       TRP  43   3.293  -0.981  -8.816
  320    HA   TRP  43           HA       TRP  43   2.730  -1.531  -5.923
  321   1HB   TRP  43           HB2      TRP  43   1.619   0.554  -7.779
  322   2HB   TRP  43           HB1      TRP  43   0.716   0.034  -6.366
  323    HD1  TRP  43           HD1      TRP  43   4.250   1.320  -7.272
  324    HE1  TRP  43           HE1      TRP  43   5.048   2.677  -5.278
  325    HE3  TRP  43           HE3      TRP  43   0.429   0.502  -4.197
  326    HZ2  TRP  43           HZ2      TRP  43   4.123   3.273  -2.518
  327    HZ3  TRP  43           HZ3      TRP  43   0.367   1.368  -1.914
  328    HH2  TRP  43           HH2      TRP  43   2.211   2.746  -1.068
  329    H    THR  44           HN       THR  44   1.321  -3.108  -5.530
  330    HA   THR  44           HA       THR  44  -0.362  -4.107  -7.799
  331    HB   THR  44           HB       THR  44  -0.132  -6.374  -6.494
  332    HG1  THR  44           HG1      THR  44   1.362  -6.304  -4.949
  333   1HG2  THR  44          HG23      THR  44   1.965  -4.964  -8.121
  334   2HG2  THR  44          HG22      THR  44   2.423  -6.458  -7.308
  335   3HG2  THR  44          HG21      THR  44   1.111  -6.461  -8.483
  336    OH   TYR  45           OH       TYR  45  -8.925  -1.373  -3.105
  337    H    TYR  45           HN       TYR  45  -2.463  -4.534  -7.414
  338    HA   TYR  45           HA       TYR  45  -3.535  -3.892  -4.685
  339   1HB   TYR  45           HB2      TYR  45  -4.103  -2.428  -6.753
  340   2HB   TYR  45           HB1      TYR  45  -5.090  -3.789  -7.285
  341    HD1  TYR  45           HD1      TYR  45  -6.574  -4.734  -4.975
  342    HD2  TYR  45           HD2      TYR  45  -5.411  -0.749  -5.867
  343    HE1  TYR  45           HE1      TYR  45  -8.345  -3.896  -3.526
  344    HE2  TYR  45           HE2      TYR  45  -7.230   0.090  -4.472
  345    HH   TYR  45           HH       TYR  45  -9.078  -0.453  -3.334
  346    H    ASP  46           HN       ASP  46  -4.522  -5.527  -3.638
  347    HA   ASP  46           HA       ASP  46  -5.173  -8.006  -5.177
  348   1HB   ASP  46           HB2      ASP  46  -3.572  -7.999  -3.134
  349   2HB   ASP  46           HB1      ASP  46  -5.039  -7.822  -2.177
  350    H    ASP  47           HN       ASP  47  -7.154  -6.786  -5.874
  351    HA   ASP  47           HA       ASP  47  -9.197  -6.076  -3.986
  352   1HB   ASP  47           HB2      ASP  47  -9.111  -5.308  -6.371
  353   2HB   ASP  47           HB1      ASP  47  -9.568  -6.935  -6.867
  354    H    ALA  48           HN       ALA  48  -7.904  -9.004  -4.397
  355    HA   ALA  48           HA       ALA  48 -10.403 -10.567  -4.448
  356   1HB   ALA  48           HB2      ALA  48  -7.858 -11.119  -5.289
  357   2HB   ALA  48           HB1      ALA  48  -7.901 -11.952  -3.741
  358   3HB   ALA  48           HB3      ALA  48  -9.087 -12.341  -4.981
  359    H    THR  49           HN       THR  49  -8.220  -9.234  -2.125
  360    HA   THR  49           HA       THR  49  -9.887 -10.402   0.042
  361    HB   THR  49           HB       THR  49  -8.031 -11.311   1.260
  362    HG1  THR  49           HG1      THR  49  -6.399  -9.983  -0.653
  363   1HG2  THR  49          HG23      THR  49  -8.491 -12.518  -1.011
  364   2HG2  THR  49          HG22      THR  49  -7.051 -11.681  -1.581
  365   3HG2  THR  49          HG21      THR  49  -6.936 -12.817  -0.241
  366    H    LYS  50           HN       LYS  50  -9.084  -7.710  -1.307
  367    HA   LYS  50           HA       LYS  50  -8.814  -5.494  -0.585
  368   1HB   LYS  50           HB2      LYS  50  -9.640  -6.527   2.131
  369   2HB   LYS  50           HB1      LYS  50  -9.859  -4.904   1.486
  370   1HG   LYS  50           HG2      LYS  50 -11.223  -6.095  -0.399
  371   2HG   LYS  50           HG1      LYS  50 -11.303  -7.442   0.731
  372   1HD   LYS  50           HD2      LYS  50 -12.079  -5.660   2.463
  373   2HD   LYS  50           HD1      LYS  50 -12.397  -4.647   1.059
  374   1HE   LYS  50           HE2      LYS  50 -14.453  -5.747   1.365
  375   2HE   LYS  50           HE1      LYS  50 -13.670  -6.742   0.143
  376   1HZ   LYS  50           HZ3      LYS  50 -13.448  -7.319   3.034
  377   2HZ   LYS  50           HZ2      LYS  50 -14.703  -7.942   2.075
  378   3HZ   LYS  50           HZ1      LYS  50 -13.090  -8.343   1.728
  379    H    THR  51           HN       THR  51  -6.478  -6.411  -0.862
  380    HA   THR  51           HA       THR  51  -4.970  -5.560   1.563
  381    HB   THR  51           HB       THR  51  -4.531  -8.190   0.066
  382    HG1  THR  51           HG1      THR  51  -5.210  -7.419   2.719
  383   1HG2  THR  51          HG23      THR  51  -2.531  -6.658   1.300
  384   2HG2  THR  51          HG22      THR  51  -3.084  -7.728   2.578
  385   3HG2  THR  51          HG21      THR  51  -2.482  -8.397   1.067
  386    H    PHE  52           HN       PHE  52  -3.746  -3.882   0.824
  387    HA   PHE  52           HA       PHE  52  -3.045  -3.676  -2.003
  388   1HB   PHE  52           HB2      PHE  52  -3.065  -1.941   0.307
  389   2HB   PHE  52           HB1      PHE  52  -1.542  -1.811  -0.561
  390    HD1  PHE  52           HD1      PHE  52  -1.533  -1.147  -2.981
  391    HD2  PHE  52           HD2      PHE  52  -5.118  -1.258  -0.728
  392    HE1  PHE  52           HE1      PHE  52  -2.687   0.157  -4.724
  393    HE2  PHE  52           HE2      PHE  52  -6.226   0.141  -2.378
  394    HZ   PHE  52           HZ       PHE  52  -5.000   0.903  -4.358
  395    H    THR  53           HN       THR  53  -0.734  -3.348  -2.648
  396    HA   THR  53           HA       THR  53   1.300  -4.428  -0.845
  397    HB   THR  53           HB       THR  53   0.454  -5.989  -3.314
  398    HG1  THR  53           HG1      THR  53   0.288  -6.160  -0.514
  399   1HG2  THR  53          HG22      THR  53   2.825  -6.200  -1.432
  400   2HG2  THR  53          HG21      THR  53   2.209  -7.605  -2.295
  401   3HG2  THR  53          HG23      THR  53   2.849  -6.233  -3.193
  402    H    VAL  54           HN       VAL  54   3.359  -3.904  -1.489
  403    HA   VAL  54           HA       VAL  54   3.739  -2.738  -4.184
  404    HB   VAL  54           HB       VAL  54   3.050  -0.875  -2.631
  405   1HG1  VAL  54          HG13      VAL  54   4.185  -1.960  -0.646
  406   2HG1  VAL  54          HG12      VAL  54   5.717  -1.399  -1.305
  407   3HG1  VAL  54          HG11      VAL  54   4.484  -0.239  -0.825
  408   1HG2  VAL  54          HG22      VAL  54   5.846  -0.891  -3.797
  409   2HG2  VAL  54          HG21      VAL  54   4.384  -0.236  -4.514
  410   3HG2  VAL  54          HG23      VAL  54   5.110   0.555  -3.125
  411    H    THR  55           HN       THR  55   5.903  -2.763  -4.839
  412    HA   THR  55           HA       THR  55   7.890  -3.933  -2.957
  413    HB   THR  55           HB       THR  55   7.276  -5.153  -5.685
  414    HG1  THR  55           HG1      THR  55   6.032  -5.313  -3.422
  415   1HG2  THR  55          HG22      THR  55   9.436  -5.494  -3.668
  416   2HG2  THR  55          HG21      THR  55   8.652  -6.986  -4.179
  417   3HG2  THR  55          HG23      THR  55   9.422  -5.945  -5.367
  418    H    GLU  56           HN       GLU  56   9.559  -2.526  -3.062
  419    HA   GLU  56           HA       GLU  56   9.995  -0.714  -5.247
  420   1HB   GLU  56           HB2      GLU  56  10.982  -0.974  -2.676
  421   2HB   GLU  56           HB1      GLU  56  12.386  -1.332  -3.672
  422   1HG   GLU  56           HG2      GLU  56  10.616   1.126  -3.926
  423   2HG   GLU  56           HG1      GLU  56  12.236   1.094  -3.233
   
  Start of MODEL           5
 Raw file had 423 H/Q atoms
  Entry Start of MODEL    5
    1   1H    MET   1           HT3      MET   1 -13.455   2.410   5.017
    2   2H    MET   1           HT2      MET   1 -14.239   2.303   3.515
    3   3H    MET   1           HT1      MET   1 -14.930   1.579   4.887
    4    HA   MET   1           HA       MET   1 -13.669  -0.243   4.752
    5   1HB   MET   1           HB2      MET   1 -12.755   0.613   2.034
    6   2HB   MET   1           HB1      MET   1 -13.394  -0.941   2.558
    7   1HG   MET   1           HG2      MET   1 -14.865   1.601   1.943
    8   2HG   MET   1           HG1      MET   1 -15.140   0.002   1.303
    9   1HE   MET   1           HE2      MET   1 -17.322   1.457   1.557
   10   2HE   MET   1           HE1      MET   1 -18.412   1.259   2.930
   11   3HE   MET   1           HE3      MET   1 -17.157   2.499   2.971
   12    H    THR   2           HN       THR   2 -11.567  -1.207   4.677
   13    HA   THR   2           HA       THR   2  -9.276   0.678   4.485
   14    HB   THR   2           HB       THR   2  -9.697  -1.127   6.904
   15    HG1  THR   2           HG1      THR   2 -10.456   0.703   7.829
   16   1HG2  THR   2          HG21      THR   2  -7.356   0.025   5.931
   17   2HG2  THR   2          HG23      THR   2  -7.966   1.252   7.034
   18   3HG2  THR   2          HG22      THR   2  -7.649  -0.376   7.620
   19    OH   TYR   3           OH       TYR   3 -11.509   0.227  -1.024
   20    H    TYR   3           HN       TYR   3  -7.709  -0.230   3.305
   21    HA   TYR   3           HA       TYR   3  -7.771  -3.187   2.933
   22   1HB   TYR   3           HB2      TYR   3  -6.058  -1.249   1.378
   23   2HB   TYR   3           HB1      TYR   3  -6.574  -2.864   0.909
   24    HD1  TYR   3           HD1      TYR   3  -7.890   0.548   1.678
   25    HD2  TYR   3           HD2      TYR   3  -8.604  -3.162  -0.272
   26    HE1  TYR   3           HE1      TYR   3  -9.891   1.488   0.620
   27    HE2  TYR   3           HE2      TYR   3 -10.602  -2.220  -1.335
   28    HH   TYR   3           HH       TYR   3 -12.277  -0.106  -0.554
   29    H    LYS   4           HN       LYS   4  -5.441  -4.098   2.567
   30    HA   LYS   4           HA       LYS   4  -3.756  -3.157   4.869
   31   1HB   LYS   4           HB2      LYS   4  -4.984  -5.427   5.000
   32   2HB   LYS   4           HB1      LYS   4  -3.832  -5.976   3.797
   33   1HG   LYS   4           HG2      LYS   4  -1.963  -5.385   5.267
   34   2HG   LYS   4           HG1      LYS   4  -3.082  -4.755   6.465
   35   1HD   LYS   4           HD2      LYS   4  -3.479  -6.822   7.289
   36   2HD   LYS   4           HD1      LYS   4  -3.839  -7.444   5.683
   37   1HE   LYS   4           HE2      LYS   4  -1.839  -8.521   6.837
   38   2HE   LYS   4           HE1      LYS   4  -1.518  -7.876   5.233
   39   1HZ   LYS   4           HZ2      LYS   4  -1.004  -6.384   7.742
   40   2HZ   LYS   4           HZ1      LYS   4   0.169  -7.303   6.928
   41   3HZ   LYS   4           HZ3      LYS   4  -0.524  -5.952   6.171
   42    H    LEU   5           HN       LEU   5  -1.930  -2.239   4.121
   43    HA   LEU   5           HA       LEU   5  -0.906  -2.932   1.464
   44   1HB   LEU   5           HB2      LEU   5  -0.763  -0.607   2.082
   45   2HB   LEU   5           HB1      LEU   5  -0.003  -0.992   3.616
   46    HG   LEU   5           HG       LEU   5   2.024  -1.837   2.311
   47   1HD1  LEU   5          HD13      LEU   5   0.516  -0.600  -0.018
   48   2HD1  LEU   5          HD12      LEU   5   2.183  -1.154  -0.072
   49   3HD1  LEU   5          HD11      LEU   5   0.881  -2.308   0.163
   50   1HD2  LEU   5          HD23      LEU   5   1.472   0.684   3.092
   51   2HD2  LEU   5          HD22      LEU   5   2.951   0.267   2.236
   52   3HD2  LEU   5          HD21      LEU   5   1.589   0.953   1.357
   53    H    ILE   6           HN       ILE   6   1.182  -3.795   1.082
   54    HA   ILE   6           HA       ILE   6   2.573  -5.026   3.364
   55    HB   ILE   6           HB       ILE   6   1.941  -6.503   0.797
   56   1HG1  ILE   6          HG12      ILE   6   0.680  -6.556   3.554
   57   2HG1  ILE   6          HG11      ILE   6  -0.121  -6.296   2.010
   58   1HG2  ILE   6          HG22      ILE   6   4.080  -7.058   2.134
   59   2HG2  ILE   6          HG21      ILE   6   3.003  -7.608   3.411
   60   3HG2  ILE   6          HG23      ILE   6   2.979  -8.395   1.836
   61   1HD1  ILE   6           HD1      ILE   6   0.689  -8.664   1.380
   62   2HD1  ILE   6           HD3      ILE   6   1.052  -8.869   3.091
   63   3HD1  ILE   6           HD2      ILE   6  -0.600  -8.563   2.574
   64    H    LEU   7           HN       LEU   7   4.434  -3.908   3.286
   65    HA   LEU   7           HA       LEU   7   5.579  -3.027   0.756
   66   1HB   LEU   7           HB2      LEU   7   6.692  -2.925   3.561
   67   2HB   LEU   7           HB1      LEU   7   7.389  -2.111   2.167
   68    HG   LEU   7           HG       LEU   7   4.514  -1.584   2.510
   69   1HD1  LEU   7          HD13      LEU   7   6.506  -0.640   4.603
   70   2HD1  LEU   7          HD12      LEU   7   4.854  -0.053   4.440
   71   3HD1  LEU   7          HD11      LEU   7   5.151  -1.729   4.888
   72   1HD2  LEU   7          HD23      LEU   7   6.058  -0.399   0.939
   73   2HD2  LEU   7          HD22      LEU   7   5.275   0.704   2.065
   74   3HD2  LEU   7          HD21      LEU   7   6.948   0.223   2.325
   75    H    ASN   8           HN       ASN   8   6.855  -4.162  -0.514
   76    HA   ASN   8           HA       ASN   8   8.272  -6.522   0.635
   77   1HB   ASN   8           HB2      ASN   8   6.756  -6.076  -1.774
   78   2HB   ASN   8           HB1      ASN   8   8.391  -6.542  -2.202
   79   1HD2  ASN   8          HD22      ASN   8   5.963  -9.416  -1.249
   80   2HD2  ASN   8          HD21      ASN   8   5.579  -7.948  -1.996
   81    H    GLY   9           HN       GLY   9   9.208  -3.845   0.951
   82   1HA   GLY   9           HA2      GLY   9  11.111  -2.977  -0.913
   83   2HA   GLY   9           HA1      GLY   9  11.261  -2.708   0.812
   84    H    LYS  10           HN       LYS  10  13.089  -3.611  -1.514
   85    HA   LYS  10           HA       LYS  10  13.996  -6.260  -0.825
   86   1HB   LYS  10           HB2      LYS  10  15.484  -3.987  -2.174
   87   2HB   LYS  10           HB1      LYS  10  16.017  -5.664  -2.131
   88   1HG   LYS  10           HG2      LYS  10  13.703  -6.221  -3.160
   89   2HG   LYS  10           HG1      LYS  10  13.599  -4.503  -3.524
   90   1HD   LYS  10           HD2      LYS  10  14.719  -5.052  -5.433
   91   2HD   LYS  10           HD1      LYS  10  16.141  -5.096  -4.396
   92   1HE   LYS  10           HE2      LYS  10  14.385  -7.423  -5.223
   93   2HE   LYS  10           HE1      LYS  10  16.092  -7.193  -5.575
   94   1HZ   LYS  10           HZ2      LYS  10  16.391  -7.212  -3.067
   95   2HZ   LYS  10           HZ1      LYS  10  14.823  -7.860  -2.996
   96   3HZ   LYS  10           HZ3      LYS  10  16.049  -8.693  -3.826
   97    H    THR  11           HN       THR  11  14.256  -3.250   0.656
   98    HA   THR  11           HA       THR  11  16.336  -4.297   2.513
   99    HB   THR  11           HB       THR  11  16.821  -1.659   2.687
  100    HG1  THR  11           HG1      THR  11  15.248  -1.055   1.243
  101   1HG2  THR  11          HG22      THR  11  17.713  -3.375   0.338
  102   2HG2  THR  11          HG21      THR  11  18.501  -1.890   0.859
  103   3HG2  THR  11          HG23      THR  11  18.520  -3.309   1.901
  104    H    LEU  12           HN       LEU  12  13.197  -3.226   2.103
  105    HA   LEU  12           HA       LEU  12  12.890  -2.935   5.032
  106   1HB   LEU  12           HB2      LEU  12  13.366  -0.636   4.128
  107   2HB   LEU  12           HB1      LEU  12  11.906  -0.771   3.159
  108    HG   LEU  12           HG       LEU  12  10.591  -1.158   5.265
  109   1HD1  LEU  12          HD13      LEU  12  13.344  -0.956   6.418
  110   2HD1  LEU  12          HD12      LEU  12  12.038  -0.205   7.327
  111   3HD1  LEU  12          HD11      LEU  12  11.976  -1.923   6.953
  112   1HD2  LEU  12          HD22      LEU  12  10.962   1.121   4.193
  113   2HD2  LEU  12          HD21      LEU  12  10.548   1.159   5.904
  114   3HD2  LEU  12          HD23      LEU  12  12.217   1.393   5.397
  115    H    LYS  13           HN       LYS  13  11.473  -4.596   5.249
  116    HA   LYS  13           HA       LYS  13   9.051  -4.622   3.497
  117   1HB   LYS  13           HB2      LYS  13  10.212  -6.783   5.274
  118   2HB   LYS  13           HB1      LYS  13   8.757  -6.954   4.303
  119   1HG   LYS  13           HG2      LYS  13  10.058  -7.562   2.560
  120   2HG   LYS  13           HG1      LYS  13  10.736  -5.940   2.556
  121   1HD   LYS  13           HD2      LYS  13  12.570  -7.508   2.789
  122   2HD   LYS  13           HD1      LYS  13  12.361  -6.692   4.333
  123   1HE   LYS  13           HE2      LYS  13  10.619  -8.920   4.391
  124   2HE   LYS  13           HE1      LYS  13  12.135  -9.514   3.729
  125   1HZ   LYS  13           HZ3      LYS  13  11.860  -7.960   6.241
  126   2HZ   LYS  13           HZ2      LYS  13  12.072  -9.642   6.145
  127   3HZ   LYS  13           HZ1      LYS  13  13.303  -8.599   5.611
  128    H    GLY  14           HN       GLY  14   7.001  -4.546   4.402
  129   1HA   GLY  14           HA2      GLY  14   6.561  -4.716   7.264
  130   2HA   GLY  14           HA1      GLY  14   6.545  -3.045   6.707
  131    H    GLU  15           HN       GLU  15   4.293  -3.077   7.442
  132    HA   GLU  15           HA       GLU  15   2.457  -3.456   5.273
  133   1HB   GLU  15           HB2      GLU  15   1.192  -5.334   5.970
  134   2HB   GLU  15           HB1      GLU  15   2.862  -5.855   6.136
  135   1HG   GLU  15           HG2      GLU  15   2.679  -4.969   8.576
  136   2HG   GLU  15           HG1      GLU  15   0.938  -5.011   8.304
  137    H    THR  16           HN       THR  16   0.751  -2.141   5.596
  138    HA   THR  16           HA       THR  16  -0.161  -1.547   8.339
  139    HB   THR  16           HB       THR  16   1.529   0.185   8.130
  140    HG1  THR  16           HG1      THR  16  -0.321   1.886   7.402
  141   1HG2  THR  16          HG21      THR  16   1.178  -0.022   5.387
  142   2HG2  THR  16          HG23      THR  16   0.325   1.470   5.756
  143   3HG2  THR  16          HG22      THR  16   2.024   1.300   6.178
  144    H    THR  17           HN       THR  17  -2.245  -0.598   8.409
  145    HA   THR  17           HA       THR  17  -3.760  -0.943   5.858
  146    HB   THR  17           HB       THR  17  -5.654  -1.533   7.165
  147    HG1  THR  17           HG1      THR  17  -5.992  -0.346   8.893
  148   1HG2  THR  17          HG21      THR  17  -3.305  -2.866   7.780
  149   2HG2  THR  17          HG23      THR  17  -3.829  -2.305   9.361
  150   3HG2  THR  17          HG22      THR  17  -4.887  -3.324   8.392
  151    H    THR  18           HN       THR  18  -5.079   0.661   5.076
  152    HA   THR  18           HA       THR  18  -5.069   3.270   6.544
  153    HB   THR  18           HB       THR  18  -3.457   3.093   4.475
  154    HG1  THR  18           HG1      THR  18  -5.545   5.021   4.691
  155   1HG2  THR  18          HG23      THR  18  -5.523   2.137   3.093
  156   2HG2  THR  18          HG22      THR  18  -5.985   3.834   3.012
  157   3HG2  THR  18          HG21      THR  18  -4.443   3.308   2.345
  158    H    GLU  19           HN       GLU  19  -6.944   4.443   6.452
  159    HA   GLU  19           HA       GLU  19  -9.337   2.981   5.563
  160   1HB   GLU  19           HB2      GLU  19  -8.756   5.329   7.283
  161   2HB   GLU  19           HB1      GLU  19 -10.302   5.348   6.445
  162   1HG   GLU  19           HG2      GLU  19  -9.415   2.864   7.900
  163   2HG   GLU  19           HG1      GLU  19 -10.155   4.189   8.791
  164    H    ALA  20           HN       ALA  20 -10.096   3.182   3.561
  165    HA   ALA  20           HA       ALA  20  -9.989   5.850   2.243
  166   1HB   ALA  20           HB3      ALA  20  -8.671   3.351   1.349
  167   2HB   ALA  20           HB2      ALA  20  -9.537   4.245   0.106
  168   3HB   ALA  20           HB1      ALA  20  -8.246   5.025   1.013
  169    H    VAL  21           HN       VAL  21 -11.630   6.178   0.677
  170    HA   VAL  21           HA       VAL  21 -13.985   4.447   1.120
  171    HB   VAL  21           HB       VAL  21 -14.338   6.848   1.288
  172   1HG1  VAL  21          HG11      VAL  21 -12.630   6.853  -1.066
  173   2HG1  VAL  21          HG13      VAL  21 -14.099   7.775  -1.356
  174   3HG1  VAL  21          HG12      VAL  21 -13.053   8.189  -0.002
  175   1HG2  VAL  21          HG23      VAL  21 -16.097   5.351   0.219
  176   2HG2  VAL  21          HG22      VAL  21 -16.216   7.055  -0.208
  177   3HG2  VAL  21          HG21      VAL  21 -15.515   5.911  -1.347
  178    H    ASP  22           HN       ASP  22 -11.574   5.006  -1.263
  179    HA   ASP  22           HA       ASP  22 -12.909   3.024  -3.020
  180   1HB   ASP  22           HB2      ASP  22 -12.814   4.357  -4.974
  181   2HB   ASP  22           HB1      ASP  22 -13.438   5.446  -3.739
  182    H    ALA  23           HN       ALA  23 -11.283   2.700  -5.020
  183    HA   ALA  23           HA       ALA  23  -8.783   1.819  -3.756
  184   1HB   ALA  23           HB1      ALA  23 -10.117   1.379  -6.400
  185   2HB   ALA  23           HB3      ALA  23  -8.392   1.058  -6.255
  186   3HB   ALA  23           HB2      ALA  23  -9.538   0.194  -5.234
  187    H    ALA  24           HN       ALA  24  -9.757   4.060  -6.324
  188    HA   ALA  24           HA       ALA  24  -7.220   4.880  -7.210
  189   1HB   ALA  24           HB1      ALA  24  -9.893   5.812  -7.460
  190   2HB   ALA  24           HB3      ALA  24  -8.906   7.194  -6.989
  191   3HB   ALA  24           HB2      ALA  24  -8.499   6.272  -8.434
  192    H    THR  25           HN       THR  25  -9.141   6.303  -4.576
  193    HA   THR  25           HA       THR  25  -7.096   8.130  -3.751
  194    HB   THR  25           HB       THR  25  -9.551   8.258  -3.057
  195    HG1  THR  25           HG1      THR  25  -7.597   9.228  -2.032
  196   1HG2  THR  25          HG23      THR  25  -9.552   5.763  -2.291
  197   2HG2  THR  25          HG22      THR  25  -8.678   6.343  -0.879
  198   3HG2  THR  25          HG21      THR  25 -10.300   6.933  -1.212
  199    H    ALA  26           HN       ALA  26  -7.846   4.801  -2.873
  200    HA   ALA  26           HA       ALA  26  -6.078   4.553  -0.663
  201   1HB   ALA  26           HB1      ALA  26  -7.765   2.838  -1.347
  202   2HB   ALA  26           HB3      ALA  26  -6.727   2.413  -2.704
  203   3HB   ALA  26           HB2      ALA  26  -6.170   2.153  -1.053
  204    H    GLU  27           HN       GLU  27  -5.495   4.316  -4.136
  205    HA   GLU  27           HA       GLU  27  -2.826   3.319  -4.010
  206   1HB   GLU  27           HB2      GLU  27  -4.362   4.947  -6.014
  207   2HB   GLU  27           HB1      GLU  27  -2.643   4.690  -6.241
  208   1HG   GLU  27           HG2      GLU  27  -3.042   2.211  -6.032
  209   2HG   GLU  27           HG1      GLU  27  -4.771   2.546  -5.979
  210    H    LYS  28           HN       LYS  28  -4.090   6.619  -4.047
  211    HA   LYS  28           HA       LYS  28  -1.461   7.831  -3.854
  212   1HB   LYS  28           HB2      LYS  28  -4.071   9.146  -3.102
  213   2HB   LYS  28           HB1      LYS  28  -2.612   9.908  -3.726
  214   1HG   LYS  28           HG2      LYS  28  -2.912   8.661  -5.869
  215   2HG   LYS  28           HG1      LYS  28  -4.413   7.986  -5.244
  216   1HD   LYS  28           HD2      LYS  28  -5.208  10.376  -4.879
  217   2HD   LYS  28           HD1      LYS  28  -3.798  10.902  -5.792
  218   1HE   LYS  28           HE2      LYS  28  -4.564   9.335  -7.651
  219   2HE   LYS  28           HE1      LYS  28  -6.066   9.138  -6.757
  220   1HZ   LYS  28           HZ2      LYS  28  -4.983  11.755  -7.632
  221   2HZ   LYS  28           HZ1      LYS  28  -6.153  10.869  -8.487
  222   3HZ   LYS  28           HZ3      LYS  28  -6.501  11.459  -6.932
  223    H    VAL  29           HN       VAL  29  -3.937   6.866  -1.563
  224    HA   VAL  29           HA       VAL  29  -2.926   8.239   0.725
  225    HB   VAL  29           HB       VAL  29  -4.382   5.589   0.571
  226   1HG1  VAL  29          HG13      VAL  29  -3.795   7.494   2.855
  227   2HG1  VAL  29          HG12      VAL  29  -5.059   6.271   2.934
  228   3HG1  VAL  29          HG11      VAL  29  -3.378   5.786   2.751
  229   1HG2  VAL  29          HG21      VAL  29  -5.223   8.163  -0.141
  230   2HG2  VAL  29          HG23      VAL  29  -6.272   6.797   0.224
  231   3HG2  VAL  29          HG22      VAL  29  -5.846   7.944   1.490
  232    H    PHE  30           HN       PHE  30  -2.492   4.787  -0.113
  233    HA   PHE  30           HA       PHE  30  -0.455   4.347   1.839
  234   1HB   PHE  30           HB2      PHE  30  -1.256   2.915  -0.681
  235   2HB   PHE  30           HB1      PHE  30   0.197   2.425   0.181
  236    HD1  PHE  30           HD1      PHE  30  -0.217   2.301   2.895
  237    HD2  PHE  30           HD2      PHE  30  -3.200   1.754  -0.101
  238    HE1  PHE  30           HE1      PHE  30  -1.608   1.051   4.494
  239    HE2  PHE  30           HE2      PHE  30  -4.562   0.501   1.499
  240    HZ   PHE  30           HZ       PHE  30  -3.765   0.115   3.784
  241    H    LYS  31           HN       LYS  31  -0.290   5.382  -1.538
  242    HA   LYS  31           HA       LYS  31   2.529   5.241  -1.853
  243   1HB   LYS  31           HB2      LYS  31   0.949   5.721  -3.707
  244   2HB   LYS  31           HB1      LYS  31   0.651   7.311  -3.012
  245   1HG   LYS  31           HG2      LYS  31   3.013   7.910  -3.280
  246   2HG   LYS  31           HG1      LYS  31   3.378   6.294  -3.875
  247   1HD   LYS  31           HD2      LYS  31   2.788   6.908  -5.964
  248   2HD   LYS  31           HD1      LYS  31   1.184   7.361  -5.397
  249   1HE   LYS  31           HE2      LYS  31   2.105   9.568  -4.665
  250   2HE   LYS  31           HE1      LYS  31   3.666   9.112  -5.338
  251   1HZ   LYS  31           HZ1      LYS  31   1.711   8.677  -7.285
  252   2HZ   LYS  31           HZ3      LYS  31   1.473  10.233  -6.651
  253   3HZ   LYS  31           HZ2      LYS  31   2.982   9.803  -7.301
  254    H    GLN  32           HN       GLN  32   0.473   7.597  -0.297
  255    HA   GLN  32           HA       GLN  32   2.498   9.607   0.090
  256   1HB   GLN  32           HB2      GLN  32  -0.006   9.935   0.316
  257   2HB   GLN  32           HB1      GLN  32   0.090   9.084   1.853
  258   1HG   GLN  32           HG2      GLN  32   0.269  11.393   2.426
  259   2HG   GLN  32           HG1      GLN  32   1.925  10.796   2.482
  260   1HE2  GLN  32          HE22      GLN  32   0.919  12.904  -0.910
  261   2HE2  GLN  32          HE21      GLN  32  -0.179  11.773  -0.280
  262    OH   TYR  33           OH       TYR  33   5.155   2.512   7.813
  263    H    TYR  33           HN       TYR  33   1.606   6.683   1.744
  264    HA   TYR  33           HA       TYR  33   3.174   7.248   4.137
  265   1HB   TYR  33           HB2      TYR  33   1.279   5.743   4.324
  266   2HB   TYR  33           HB1      TYR  33   1.941   4.696   3.073
  267    HD1  TYR  33           HD1      TYR  33   4.050   3.418   3.519
  268    HD2  TYR  33           HD2      TYR  33   2.093   5.616   6.591
  269    HE1  TYR  33           HE1      TYR  33   5.327   2.189   5.210
  270    HE2  TYR  33           HE2      TYR  33   3.374   4.388   8.284
  271    HH   TYR  33           HH       TYR  33   4.755   1.645   7.914
  272    H    ALA  34           HN       ALA  34   3.525   4.963   1.439
  273    HA   ALA  34           HA       ALA  34   6.054   3.926   2.032
  274   1HB   ALA  34           HB1      ALA  34   4.666   3.173   0.128
  275   2HB   ALA  34           HB3      ALA  34   5.012   4.681  -0.714
  276   3HB   ALA  34           HB2      ALA  34   6.310   3.537  -0.385
  277    H    ASN  35           HN       ASN  35   5.204   7.094   0.905
  278    HA   ASN  35           HA       ASN  35   7.827   7.866  -0.023
  279   1HB   ASN  35           HB2      ASN  35   5.681   9.047  -0.602
  280   2HB   ASN  35           HB1      ASN  35   5.640   9.667   1.046
  281   1HD2  ASN  35          HD22      ASN  35   8.696  11.636   0.494
  282   2HD2  ASN  35          HD21      ASN  35   8.093  10.539   1.641
  283    H    ASP  36           HN       ASP  36   6.169   8.002   3.074
  284    HA   ASP  36           HA       ASP  36   8.202   9.584   4.395
  285   1HB   ASP  36           HB2      ASP  36   6.070   7.746   5.516
  286   2HB   ASP  36           HB1      ASP  36   7.059   8.836   6.483
  287    H    ASN  37           HN       ASN  37   8.588   6.747   3.002
  288    HA   ASN  37           HA       ASN  37  10.512   5.779   5.078
  289   1HB   ASN  37           HB2      ASN  37   8.482   4.239   3.494
  290   2HB   ASN  37           HB1      ASN  37   9.972   3.451   4.004
  291   1HD2  ASN  37          HD22      ASN  37   7.295   4.680   6.877
  292   2HD2  ASN  37          HD21      ASN  37   7.283   5.430   5.354
  293    H    GLY  38           HN       GLY  38   9.616   5.404   1.663
  294   1HA   GLY  38           HA2      GLY  38  11.359   6.268   0.019
  295   2HA   GLY  38           HA1      GLY  38  12.538   5.395   0.990
  296    H    VAL  39           HN       VAL  39   9.352   4.130   0.352
  297    HA   VAL  39           HA       VAL  39  10.607   1.950  -1.266
  298    HB   VAL  39           HB       VAL  39   7.916   1.902   0.118
  299   1HG1  VAL  39          HG11      VAL  39   9.768  -0.267  -0.940
  300   2HG1  VAL  39          HG13      VAL  39   8.238  -0.552  -0.116
  301   3HG1  VAL  39          HG12      VAL  39   8.258   0.244  -1.686
  302   1HG2  VAL  39          HG21      VAL  39  10.692   1.206   1.096
  303   2HG2  VAL  39          HG23      VAL  39   9.467   2.183   1.898
  304   3HG2  VAL  39          HG22      VAL  39   9.263   0.438   1.779
  305    H    ASP  40           HN       ASP  40  10.423   3.750  -2.991
  306    HA   ASP  40           HA       ASP  40   7.689   3.760  -4.202
  307   1HB   ASP  40           HB2      ASP  40  10.080   5.575  -4.523
  308   2HB   ASP  40           HB1      ASP  40   8.723   5.612  -5.645
  309    H    GLY  41           HN       GLY  41   7.368   2.346  -5.800
  310   1HA   GLY  41           HA2      GLY  41   9.239   2.061  -7.992
  311   2HA   GLY  41           HA1      GLY  41   9.264   0.643  -6.948
  312    H    GLU  42           HN       GLU  42   7.808  -0.902  -7.352
  313    HA   GLU  42           HA       GLU  42   5.660  -0.316  -9.323
  314   1HB   GLU  42           HB2      GLU  42   6.217  -3.043  -8.237
  315   2HB   GLU  42           HB1      GLU  42   5.670  -2.583  -9.843
  316   1HG   GLU  42           HG2      GLU  42   8.034  -1.352  -9.917
  317   2HG   GLU  42           HG1      GLU  42   8.446  -2.567  -8.708
  318    CH2  TRP  43           CH2      TRP  43   2.136   2.665  -2.200
  319    H    TRP  43           HN       TRP  43   3.490  -0.699  -8.876
  320    HA   TRP  43           HA       TRP  43   2.844  -1.229  -5.995
  321   1HB   TRP  43           HB2      TRP  43   1.767   0.816  -7.913
  322   2HB   TRP  43           HB1      TRP  43   0.814   0.293  -6.534
  323    HD1  TRP  43           HD1      TRP  43   4.350   1.642  -7.314
  324    HE1  TRP  43           HE1      TRP  43   5.052   3.009  -5.291
  325    HE3  TRP  43           HE3      TRP  43   0.439   0.748  -4.372
  326    HZ2  TRP  43           HZ2      TRP  43   4.021   3.591  -2.574
  327    HZ3  TRP  43           HZ3      TRP  43   0.274   1.630  -2.099
  328    HH2  TRP  43           HH2      TRP  43   2.062   3.047  -1.194
  329    H    THR  44           HN       THR  44   1.254  -2.639  -5.562
  330    HA   THR  44           HA       THR  44  -0.292  -3.765  -7.869
  331    HB   THR  44           HB       THR  44  -0.132  -5.985  -6.476
  332    HG1  THR  44           HG1      THR  44   2.257  -5.263  -5.535
  333   1HG2  THR  44          HG21      THR  44   2.032  -4.653  -8.074
  334   2HG2  THR  44          HG23      THR  44   2.466  -6.100  -7.168
  335   3HG2  THR  44          HG22      THR  44   1.202  -6.173  -8.392
  336    OH   TYR  45           OH       TYR  45  -8.840  -1.387  -3.040
  337    H    TYR  45           HN       TYR  45  -2.304  -4.830  -7.237
  338    HA   TYR  45           HA       TYR  45  -3.457  -3.875  -4.646
  339   1HB   TYR  45           HB2      TYR  45  -4.024  -2.410  -6.713
  340   2HB   TYR  45           HB1      TYR  45  -5.008  -3.773  -7.247
  341    HD1  TYR  45           HD1      TYR  45  -6.484  -4.732  -4.935
  342    HD2  TYR  45           HD2      TYR  45  -5.339  -0.737  -5.816
  343    HE1  TYR  45           HE1      TYR  45  -8.251  -3.905  -3.477
  344    HE2  TYR  45           HE2      TYR  45  -7.156   0.087  -4.408
  345    HH   TYR  45           HH       TYR  45  -9.298  -2.145  -2.671
  346    H    ASP  46           HN       ASP  46  -4.400  -5.511  -3.599
  347    HA   ASP  46           HA       ASP  46  -5.069  -7.990  -5.128
  348   1HB   ASP  46           HB2      ASP  46  -3.412  -7.955  -3.122
  349   2HB   ASP  46           HB1      ASP  46  -4.862  -7.820  -2.133
  350    H    ASP  47           HN       ASP  47  -7.080  -6.794  -5.766
  351    HA   ASP  47           HA       ASP  47  -9.073  -6.082  -3.832
  352   1HB   ASP  47           HB2      ASP  47  -8.975  -5.441  -6.314
  353   2HB   ASP  47           HB1      ASP  47  -9.664  -7.029  -6.637
  354    H    ALA  48           HN       ALA  48  -7.775  -9.015  -4.239
  355    HA   ALA  48           HA       ALA  48 -10.215 -10.634  -4.290
  356   1HB   ALA  48           HB1      ALA  48  -7.820 -11.291  -5.093
  357   2HB   ALA  48           HB3      ALA  48  -7.533 -11.657  -3.395
  358   3HB   ALA  48           HB2      ALA  48  -8.801 -12.502  -4.276
  359    H    THR  49           HN       THR  49  -7.958  -9.451  -1.852
  360    HA   THR  49           HA       THR  49  -9.900 -10.322   0.244
  361    HB   THR  49           HB       THR  49  -7.806 -10.874   1.683
  362    HG1  THR  49           HG1      THR  49  -6.701 -11.092  -0.916
  363   1HG2  THR  49          HG22      THR  49  -9.055 -12.431  -0.468
  364   2HG2  THR  49          HG21      THR  49  -7.375 -12.893  -0.213
  365   3HG2  THR  49          HG23      THR  49  -8.523 -12.976   1.119
  366    H    LYS  50           HN       LYS  50  -8.959  -7.723  -1.118
  367    HA   LYS  50           HA       LYS  50  -8.662  -5.495  -0.440
  368   1HB   LYS  50           HB2      LYS  50  -9.397  -6.417   2.338
  369   2HB   LYS  50           HB1      LYS  50  -9.670  -4.839   1.609
  370   1HG   LYS  50           HG2      LYS  50 -11.163  -5.991  -0.089
  371   2HG   LYS  50           HG1      LYS  50 -11.025  -7.451   0.883
  372   1HD   LYS  50           HD2      LYS  50 -11.992  -6.320   2.813
  373   2HD   LYS  50           HD1      LYS  50 -11.996  -4.784   1.955
  374   1HE   LYS  50           HE2      LYS  50 -14.224  -6.056   2.008
  375   2HE   LYS  50           HE1      LYS  50 -13.670  -5.525   0.425
  376   1HZ   LYS  50           HZ2      LYS  50 -13.212  -8.232   1.544
  377   2HZ   LYS  50           HZ1      LYS  50 -14.456  -7.834   0.459
  378   3HZ   LYS  50           HZ3      LYS  50 -12.834  -7.703  -0.026
  379    H    THR  51           HN       THR  51  -6.349  -6.335  -0.784
  380    HA   THR  51           HA       THR  51  -4.780  -5.509   1.604
  381    HB   THR  51           HB       THR  51  -4.417  -8.156   0.121
  382    HG1  THR  51           HG1      THR  51  -4.657  -8.761   2.406
  383   1HG2  THR  51          HG23      THR  51  -2.310  -6.642   1.183
  384   2HG2  THR  51          HG22      THR  51  -2.806  -7.653   2.530
  385   3HG2  THR  51          HG21      THR  51  -2.317  -8.387   1.009
  386    H    PHE  52           HN       PHE  52  -3.586  -3.829   0.845
  387    HA   PHE  52           HA       PHE  52  -2.940  -3.617  -1.993
  388   1HB   PHE  52           HB2      PHE  52  -2.924  -1.879   0.317
  389   2HB   PHE  52           HB1      PHE  52  -1.422  -1.741  -0.584
  390    HD1  PHE  52           HD1      PHE  52  -1.465  -1.070  -2.997
  391    HD2  PHE  52           HD2      PHE  52  -5.012  -1.222  -0.683
  392    HE1  PHE  52           HE1      PHE  52  -2.662   0.226  -4.719
  393    HE2  PHE  52           HE2      PHE  52  -6.161   0.175  -2.311
  394    HZ   PHE  52           HZ       PHE  52  -4.977   0.939  -4.312
  395    H    THR  53           HN       THR  53  -0.632  -3.272  -2.669
  396    HA   THR  53           HA       THR  53   1.436  -4.351  -0.908
  397    HB   THR  53           HB       THR  53   0.523  -5.935  -3.338
  398    HG1  THR  53           HG1      THR  53   0.657  -6.318  -0.519
  399   1HG2  THR  53          HG22      THR  53   3.079  -5.835  -1.862
  400   2HG2  THR  53          HG21      THR  53   2.339  -7.433  -1.863
  401   3HG2  THR  53          HG23      THR  53   2.715  -6.636  -3.387
  402    H    VAL  54           HN       VAL  54   3.437  -3.677  -1.514
  403    HA   VAL  54           HA       VAL  54   3.794  -2.613  -4.272
  404    HB   VAL  54           HB       VAL  54   3.152  -0.730  -2.699
  405   1HG1  VAL  54          HG11      VAL  54   4.370  -1.782  -0.747
  406   2HG1  VAL  54          HG13      VAL  54   5.876  -1.249  -1.484
  407   3HG1  VAL  54          HG12      VAL  54   4.677  -0.069  -0.972
  408   1HG2  VAL  54          HG22      VAL  54   5.808  -0.832  -4.115
  409   2HG2  VAL  54          HG21      VAL  54   4.346   0.022  -4.571
  410   3HG2  VAL  54          HG23      VAL  54   5.331   0.618  -3.247
  411    H    THR  55           HN       THR  55   5.941  -2.719  -4.976
  412    HA   THR  55           HA       THR  55   7.917  -3.947  -3.099
  413    HB   THR  55           HB       THR  55   7.286  -5.029  -5.880
  414    HG1  THR  55           HG1      THR  55   5.796  -5.881  -4.596
  415   1HG2  THR  55          HG22      THR  55   9.496  -5.444  -3.937
  416   2HG2  THR  55          HG21      THR  55   8.706  -6.921  -4.481
  417   3HG2  THR  55          HG23      THR  55   9.440  -5.832  -5.651
  418    H    GLU  56           HN       GLU  56   9.747  -2.797  -3.162
  419    HA   GLU  56           HA       GLU  56  10.231  -0.701  -5.042
  420   1HB   GLU  56           HB2      GLU  56  11.361  -1.491  -2.658
  421   2HB   GLU  56           HB1      GLU  56  12.641  -1.843  -3.807
  422   1HG   GLU  56           HG2      GLU  56  11.184   0.813  -3.541
  423   2HG   GLU  56           HG1      GLU  56  12.819   0.480  -2.974
   
  Start of MODEL           6
 Raw file had 423 H/Q atoms
  Entry Start of MODEL    6
    1   1H    MET   1           HT1      MET   1 -13.788  -0.086   5.970
    2   2H    MET   1           HT3      MET   1 -14.304   1.431   5.407
    3   3H    MET   1           HT2      MET   1 -15.203   0.037   5.037
    4    HA   MET   1           HA       MET   1 -13.564  -0.782   3.588
    5   1HB   MET   1           HB2      MET   1 -13.533   2.193   3.070
    6   2HB   MET   1           HB1      MET   1 -13.507   0.884   1.894
    7   1HG   MET   1           HG2      MET   1 -15.790   0.317   3.275
    8   2HG   MET   1           HG1      MET   1 -15.776   2.058   3.380
    9   1HE   MET   1           HE2      MET   1 -15.975  -1.055   1.384
   10   2HE   MET   1           HE1      MET   1 -16.370  -0.591  -0.271
   11   3HE   MET   1           HE3      MET   1 -14.729  -0.377   0.337
   12    H    THR   2           HN       THR   2 -11.653  -1.471   4.488
   13    HA   THR   2           HA       THR   2  -9.430   0.500   4.394
   14    HB   THR   2           HB       THR   2  -9.867  -1.348   6.777
   15    HG1  THR   2           HG1      THR   2 -11.136   0.264   7.309
   16   1HG2  THR   2          HG23      THR   2  -7.506  -0.195   5.881
   17   2HG2  THR   2          HG22      THR   2  -8.147   1.043   6.957
   18   3HG2  THR   2          HG21      THR   2  -7.849  -0.582   7.564
   19    OH   TYR   3           OH       TYR   3 -11.369   0.464  -1.094
   20    H    TYR   3           HN       TYR   3  -7.812  -0.327   3.231
   21    HA   TYR   3           HA       TYR   3  -7.763  -3.267   2.778
   22   1HB   TYR   3           HB2      TYR   3  -6.014  -1.267   1.356
   23   2HB   TYR   3           HB1      TYR   3  -6.561  -2.844   0.795
   24    HD1  TYR   3           HD1      TYR   3  -7.778   0.577   1.660
   25    HD2  TYR   3           HD2      TYR   3  -8.599  -3.044  -0.406
   26    HE1  TYR   3           HE1      TYR   3  -9.733   1.618   0.608
   27    HE2  TYR   3           HE2      TYR   3 -10.550  -2.005  -1.461
   28    HH   TYR   3           HH       TYR   3 -11.990  -0.232  -1.320
   29    H    LYS   4           HN       LYS   4  -5.414  -4.112   2.469
   30    HA   LYS   4           HA       LYS   4  -3.774  -3.155   4.786
   31   1HB   LYS   4           HB2      LYS   4  -4.960  -5.422   5.010
   32   2HB   LYS   4           HB1      LYS   4  -3.888  -5.996   3.758
   33   1HG   LYS   4           HG2      LYS   4  -2.140  -6.183   5.187
   34   2HG   LYS   4           HG1      LYS   4  -2.427  -4.597   5.885
   35   1HD   LYS   4           HD2      LYS   4  -4.185  -5.491   7.317
   36   2HD   LYS   4           HD1      LYS   4  -4.060  -7.066   6.543
   37   1HE   LYS   4           HE2      LYS   4  -2.179  -7.628   7.707
   38   2HE   LYS   4           HE1      LYS   4  -1.508  -6.007   7.591
   39   1HZ   LYS   4           HZ2      LYS   4  -3.192  -5.336   9.284
   40   2HZ   LYS   4           HZ1      LYS   4  -3.551  -6.982   9.497
   41   3HZ   LYS   4           HZ3      LYS   4  -1.994  -6.400   9.847
   42    H    LEU   5           HN       LEU   5  -1.941  -2.252   4.040
   43    HA   LEU   5           HA       LEU   5  -0.928  -2.986   1.392
   44   1HB   LEU   5           HB2      LEU   5  -0.819  -0.650   1.965
   45   2HB   LEU   5           HB1      LEU   5  -0.036  -0.993   3.497
   46    HG   LEU   5           HG       LEU   5   1.979  -1.849   2.175
   47   1HD1  LEU   5          HD13      LEU   5   0.427  -0.605  -0.117
   48   2HD1  LEU   5          HD12      LEU   5   2.099  -1.134  -0.201
   49   3HD1  LEU   5          HD11      LEU   5   0.819  -2.313   0.041
   50   1HD2  LEU   5          HD22      LEU   5   1.711   0.503   3.111
   51   2HD2  LEU   5          HD21      LEU   5   2.845   0.339   1.777
   52   3HD2  LEU   5          HD23      LEU   5   1.240   0.994   1.490
   53    H    ILE   6           HN       ILE   6   1.149  -3.826   0.986
   54    HA   ILE   6           HA       ILE   6   2.556  -5.068   3.266
   55    HB   ILE   6           HB       ILE   6   2.059  -6.399   0.597
   56   1HG1  ILE   6          HG12      ILE   6   0.930  -7.021   3.350
   57   2HG1  ILE   6          HG11      ILE   6   0.028  -6.268   2.039
   58   1HG2  ILE   6          HG23      ILE   6   4.026  -6.810   2.645
   59   2HG2  ILE   6          HG22      ILE   6   2.919  -8.177   2.666
   60   3HG2  ILE   6          HG21      ILE   6   3.766  -7.755   1.183
   61   1HD1  ILE   6           HD2      ILE   6   1.287  -8.616   0.991
   62   2HD1  ILE   6           HD1      ILE   6   0.480  -9.063   2.492
   63   3HD1  ILE   6           HD3      ILE   6  -0.432  -8.309   1.190
   64    H    LEU   7           HN       LEU   7   4.357  -3.847   3.319
   65    HA   LEU   7           HA       LEU   7   5.566  -2.814   0.879
   66   1HB   LEU   7           HB2      LEU   7   6.410  -2.718   3.770
   67   2HB   LEU   7           HB1      LEU   7   7.326  -1.962   2.471
   68    HG   LEU   7           HG       LEU   7   4.444  -1.341   2.413
   69   1HD1  LEU   7          HD13      LEU   7   6.190  -0.414   4.721
   70   2HD1  LEU   7          HD12      LEU   7   4.625   0.281   4.310
   71   3HD1  LEU   7          HD11      LEU   7   4.731  -1.393   4.847
   72   1HD2  LEU   7          HD21      LEU   7   6.218  -0.266   1.010
   73   2HD2  LEU   7          HD23      LEU   7   5.324   0.902   1.978
   74   3HD2  LEU   7          HD22      LEU   7   6.936   0.396   2.474
   75    H    ASN   8           HN       ASN   8   6.788  -3.994  -0.413
   76    HA   ASN   8           HA       ASN   8   8.390  -6.214   0.774
   77   1HB   ASN   8           HB2      ASN   8   6.801  -5.914  -1.642
   78   2HB   ASN   8           HB1      ASN   8   8.431  -6.422  -2.031
   79   1HD2  ASN   8          HD22      ASN   8   5.966  -9.188  -0.865
   80   2HD2  ASN   8          HD21      ASN   8   5.588  -7.766  -1.699
   81    H    GLY   9           HN       GLY   9   9.231  -3.552   1.046
   82   1HA   GLY   9           HA2      GLY   9  10.975  -2.591  -0.952
   83   2HA   GLY   9           HA1      GLY   9  11.183  -2.269   0.762
   84    H    LYS  10           HN       LYS  10  13.120  -2.909  -1.412
   85    HA   LYS  10           HA       LYS  10  14.149  -5.562  -1.024
   86   1HB   LYS  10           HB2      LYS  10  15.020  -3.081  -2.343
   87   2HB   LYS  10           HB1      LYS  10  16.347  -4.062  -1.732
   88   1HG   LYS  10           HG2      LYS  10  14.092  -5.279  -3.343
   89   2HG   LYS  10           HG1      LYS  10  15.507  -4.579  -4.122
   90   1HD   LYS  10           HD2      LYS  10  16.847  -6.314  -3.507
   91   2HD   LYS  10           HD1      LYS  10  16.160  -6.389  -1.889
   92   1HE   LYS  10           HE2      LYS  10  14.301  -7.692  -2.629
   93   2HE   LYS  10           HE1      LYS  10  14.635  -7.344  -4.320
   94   1HZ   LYS  10           HZ2      LYS  10  16.908  -8.483  -3.664
   95   2HZ   LYS  10           HZ1      LYS  10  15.908  -9.254  -2.528
   96   3HZ   LYS  10           HZ3      LYS  10  15.563  -9.378  -4.186
   97    H    THR  11           HN       THR  11  14.965  -2.443   0.431
   98    HA   THR  11           HA       THR  11  16.737  -3.839   2.368
   99    HB   THR  11           HB       THR  11  17.124  -1.246   2.976
  100    HG1  THR  11           HG1      THR  11  15.454  -0.611   1.560
  101   1HG2  THR  11          HG21      THR  11  18.199  -2.939   0.747
  102   2HG2  THR  11          HG23      THR  11  18.580  -1.221   0.710
  103   3HG2  THR  11          HG22      THR  11  19.067  -2.201   2.090
  104    H    LEU  12           HN       LEU  12  13.564  -3.177   2.160
  105    HA   LEU  12           HA       LEU  12  13.257  -3.212   5.084
  106   1HB   LEU  12           HB2      LEU  12  13.534  -0.760   4.347
  107   2HB   LEU  12           HB1      LEU  12  11.946  -0.932   3.609
  108    HG   LEU  12           HG       LEU  12  11.470  -2.005   6.075
  109   1HD1  LEU  12          HD12      LEU  12  13.860  -1.336   6.695
  110   2HD1  LEU  12          HD11      LEU  12  13.328   0.337   6.568
  111   3HD1  LEU  12          HD13      LEU  12  12.602  -0.728   7.768
  112   1HD2  LEU  12          HD21      LEU  12  11.335   0.895   5.188
  113   2HD2  LEU  12          HD23      LEU  12  10.067  -0.317   5.037
  114   3HD2  LEU  12          HD22      LEU  12  10.531   0.278   6.628
  115    H    LYS  13           HN       LYS  13  11.223  -3.904   5.748
  116    HA   LYS  13           HA       LYS  13   9.150  -4.331   3.664
  117   1HB   LYS  13           HB2      LYS  13  10.232  -6.530   5.450
  118   2HB   LYS  13           HB1      LYS  13   8.844  -6.687   4.382
  119   1HG   LYS  13           HG2      LYS  13  10.535  -5.841   2.540
  120   2HG   LYS  13           HG1      LYS  13  11.753  -6.407   3.676
  121   1HD   LYS  13           HD2      LYS  13   9.468  -8.047   2.527
  122   2HD   LYS  13           HD1      LYS  13  11.174  -8.216   2.123
  123   1HE   LYS  13           HE2      LYS  13  11.475  -8.545   4.714
  124   2HE   LYS  13           HE1      LYS  13   9.758  -8.925   4.685
  125   1HZ   LYS  13           HZ2      LYS  13  10.362 -10.516   2.819
  126   2HZ   LYS  13           HZ1      LYS  13  11.971 -10.326   3.328
  127   3HZ   LYS  13           HZ3      LYS  13  10.811 -10.955   4.397
  128    H    GLY  14           HN       GLY  14   7.058  -4.292   4.478
  129   1HA   GLY  14           HA2      GLY  14   6.514  -4.527   7.325
  130   2HA   GLY  14           HA1      GLY  14   6.466  -2.854   6.780
  131    H    GLU  15           HN       GLU  15   4.193  -2.989   7.449
  132    HA   GLU  15           HA       GLU  15   2.440  -3.343   5.225
  133   1HB   GLU  15           HB2      GLU  15   1.075  -5.236   6.312
  134   2HB   GLU  15           HB1      GLU  15   2.575  -5.695   5.516
  135   1HG   GLU  15           HG2      GLU  15   3.550  -6.329   7.471
  136   2HG   GLU  15           HG1      GLU  15   2.935  -4.922   8.333
  137    H    THR  16           HN       THR  16   0.713  -2.060   5.574
  138    HA   THR  16           HA       THR  16  -0.282  -1.683   8.340
  139    HB   THR  16           HB       THR  16   1.414   0.120   8.098
  140    HG1  THR  16           HG1      THR  16  -0.733   0.400   9.070
  141   1HG2  THR  16          HG23      THR  16   0.510   0.204   5.421
  142   2HG2  THR  16          HG22      THR  16  -0.106   1.676   6.160
  143   3HG2  THR  16          HG21      THR  16   1.621   1.339   6.177
  144    H    THR  17           HN       THR  17  -2.394  -0.779   8.432
  145    HA   THR  17           HA       THR  17  -3.884  -1.074   5.861
  146    HB   THR  17           HB       THR  17  -5.751  -1.824   7.135
  147    HG1  THR  17           HG1      THR  17  -4.359  -0.352   9.116
  148   1HG2  THR  17          HG22      THR  17  -3.494  -3.222   7.504
  149   2HG2  THR  17          HG21      THR  17  -3.649  -2.596   9.141
  150   3HG2  THR  17          HG23      THR  17  -4.933  -3.586   8.453
  151    H    THR  18           HN       THR  18  -5.024   0.589   5.040
  152    HA   THR  18           HA       THR  18  -5.300   3.058   6.721
  153    HB   THR  18           HB       THR  18  -3.519   3.099   4.780
  154    HG1  THR  18           HG1      THR  18  -4.848   4.799   6.035
  155   1HG2  THR  18          HG23      THR  18  -5.491   2.237   3.172
  156   2HG2  THR  18          HG22      THR  18  -5.913   3.946   3.173
  157   3HG2  THR  18          HG21      THR  18  -4.329   3.430   2.603
  158    H    GLU  19           HN       GLU  19  -7.158   4.313   6.367
  159    HA   GLU  19           HA       GLU  19  -9.404   2.775   5.188
  160   1HB   GLU  19           HB2      GLU  19  -9.767   3.615   7.435
  161   2HB   GLU  19           HB1      GLU  19  -9.340   5.247   6.933
  162   1HG   GLU  19           HG2      GLU  19 -11.353   5.589   5.856
  163   2HG   GLU  19           HG1      GLU  19 -11.511   3.896   5.395
  164    H    ALA  20           HN       ALA  20 -10.242   3.279   3.268
  165    HA   ALA  20           HA       ALA  20  -9.956   6.059   2.243
  166   1HB   ALA  20           HB1      ALA  20  -8.690   3.635   1.163
  167   2HB   ALA  20           HB3      ALA  20  -9.571   4.577  -0.035
  168   3HB   ALA  20           HB2      ALA  20  -8.281   5.325   0.901
  169    H    VAL  21           HN       VAL  21 -11.412   6.492   0.403
  170    HA   VAL  21           HA       VAL  21 -13.960   5.035   0.792
  171    HB   VAL  21           HB       VAL  21 -13.809   7.570   0.831
  172   1HG1  VAL  21          HG12      VAL  21 -12.233   7.577  -1.195
  173   2HG1  VAL  21          HG11      VAL  21 -13.661   7.282  -2.179
  174   3HG1  VAL  21          HG13      VAL  21 -13.536   8.756  -1.224
  175   1HG2  VAL  21          HG22      VAL  21 -15.698   5.845  -0.617
  176   2HG2  VAL  21          HG21      VAL  21 -16.020   7.121   0.552
  177   3HG2  VAL  21          HG23      VAL  21 -15.753   7.524  -1.141
  178    H    ASP  22           HN       ASP  22 -11.459   5.478  -1.585
  179    HA   ASP  22           HA       ASP  22 -12.850   3.493  -3.314
  180   1HB   ASP  22           HB2      ASP  22 -12.265   4.790  -5.342
  181   2HB   ASP  22           HB1      ASP  22 -13.355   5.690  -4.291
  182    H    ALA  23           HN       ALA  23 -11.144   3.109  -5.292
  183    HA   ALA  23           HA       ALA  23  -8.803   1.989  -3.909
  184   1HB   ALA  23           HB1      ALA  23 -10.230   1.517  -6.417
  185   2HB   ALA  23           HB3      ALA  23  -8.480   1.451  -6.602
  186   3HB   ALA  23           HB2      ALA  23  -9.283   0.400  -5.440
  187    H    ALA  24           HN       ALA  24  -9.339   4.168  -6.678
  188    HA   ALA  24           HA       ALA  24  -6.706   4.780  -7.329
  189   1HB   ALA  24           HB3      ALA  24  -9.078   6.657  -7.176
  190   2HB   ALA  24           HB2      ALA  24  -7.554   7.064  -7.958
  191   3HB   ALA  24           HB1      ALA  24  -8.541   5.747  -8.585
  192    H    THR  25           HN       THR  25  -8.653   6.360  -4.811
  193    HA   THR  25           HA       THR  25  -6.503   8.023  -3.893
  194    HB   THR  25           HB       THR  25  -8.909   8.447  -3.284
  195    HG1  THR  25           HG1      THR  25  -8.086   9.346  -1.535
  196   1HG2  THR  25          HG21      THR  25  -9.316   5.932  -2.727
  197   2HG2  THR  25          HG23      THR  25  -8.480   6.279  -1.220
  198   3HG2  THR  25          HG22      THR  25  -9.977   7.117  -1.607
  199    H    ALA  26           HN       ALA  26  -7.681   4.824  -2.872
  200    HA   ALA  26           HA       ALA  26  -6.023   4.414  -0.646
  201   1HB   ALA  26           HB3      ALA  26  -7.735   2.784  -1.496
  202   2HB   ALA  26           HB2      ALA  26  -6.612   2.337  -2.774
  203   3HB   ALA  26           HB1      ALA  26  -6.197   2.028  -1.092
  204    H    GLU  27           HN       GLU  27  -5.249   4.144  -4.091
  205    HA   GLU  27           HA       GLU  27  -2.594   3.133  -3.768
  206   1HB   GLU  27           HB2      GLU  27  -3.692   4.953  -5.932
  207   2HB   GLU  27           HB1      GLU  27  -2.216   4.010  -6.039
  208   1HG   GLU  27           HG2      GLU  27  -3.469   1.930  -5.854
  209   2HG   GLU  27           HG1      GLU  27  -4.964   2.820  -5.585
  210    H    LYS  28           HN       LYS  28  -3.988   6.324  -3.629
  211    HA   LYS  28           HA       LYS  28  -1.429   7.721  -3.534
  212   1HB   LYS  28           HB2      LYS  28  -3.693   8.643  -4.325
  213   2HB   LYS  28           HB1      LYS  28  -4.097   8.788  -2.620
  214   1HG   LYS  28           HG2      LYS  28  -2.023  10.162  -2.294
  215   2HG   LYS  28           HG1      LYS  28  -1.738  10.090  -4.028
  216   1HD   LYS  28           HD2      LYS  28  -4.423  11.034  -3.044
  217   2HD   LYS  28           HD1      LYS  28  -3.058  12.139  -2.974
  218   1HE   LYS  28           HE2      LYS  28  -3.455  10.634  -5.522
  219   2HE   LYS  28           HE1      LYS  28  -4.598  11.921  -5.164
  220   1HZ   LYS  28           HZ2      LYS  28  -2.537  13.312  -4.697
  221   2HZ   LYS  28           HZ1      LYS  28  -1.677  12.101  -5.521
  222   3HZ   LYS  28           HZ3      LYS  28  -2.905  12.963  -6.317
  223    H    VAL  29           HN       VAL  29  -4.028   7.265  -1.145
  224    HA   VAL  29           HA       VAL  29  -2.850   8.336   1.112
  225    HB   VAL  29           HB       VAL  29  -4.493   5.804   0.884
  226   1HG1  VAL  29          HG12      VAL  29  -3.482   7.367   3.255
  227   2HG1  VAL  29          HG11      VAL  29  -5.022   6.516   3.351
  228   3HG1  VAL  29          HG13      VAL  29  -3.540   5.621   3.029
  229   1HG2  VAL  29          HG21      VAL  29  -5.490   7.979   0.079
  230   2HG2  VAL  29          HG23      VAL  29  -6.353   7.266   1.440
  231   3HG2  VAL  29          HG22      VAL  29  -5.262   8.624   1.702
  232    H    PHE  30           HN       PHE  30  -2.402   5.023  -0.093
  233    HA   PHE  30           HA       PHE  30  -0.492   4.330   1.957
  234   1HB   PHE  30           HB2      PHE  30  -1.380   3.099  -0.626
  235   2HB   PHE  30           HB1      PHE  30   0.097   2.506   0.123
  236    HD1  PHE  30           HD1      PHE  30  -0.205   2.230   2.853
  237    HD2  PHE  30           HD2      PHE  30  -3.320   1.928  -0.044
  238    HE1  PHE  30           HE1      PHE  30  -1.558   0.920   4.433
  239    HE2  PHE  30           HE2      PHE  30  -4.644   0.602   1.536
  240    HZ   PHE  30           HZ       PHE  30  -3.765   0.078   3.765
  241    H    LYS  31           HN       LYS  31  -0.094   5.198  -1.482
  242    HA   LYS  31           HA       LYS  31   2.706   5.100  -1.614
  243   1HB   LYS  31           HB2      LYS  31   1.164   5.624  -3.527
  244   2HB   LYS  31           HB1      LYS  31   0.990   7.253  -2.880
  245   1HG   LYS  31           HG2      LYS  31   3.547   7.420  -2.984
  246   2HG   LYS  31           HG1      LYS  31   3.514   5.927  -3.916
  247   1HD   LYS  31           HD2      LYS  31   2.094   8.515  -4.636
  248   2HD   LYS  31           HD1      LYS  31   3.527   7.867  -5.430
  249   1HE   LYS  31           HE2      LYS  31   1.859   7.069  -6.847
  250   2HE   LYS  31           HE1      LYS  31   2.003   5.719  -5.727
  251   1HZ   LYS  31           HZ3      LYS  31   0.224   7.475  -4.569
  252   2HZ   LYS  31           HZ2      LYS  31  -0.212   7.409  -6.210
  253   3HZ   LYS  31           HZ1      LYS  31  -0.131   5.981  -5.294
  254    H    GLN  32           HN       GLN  32   0.629   7.567  -0.226
  255    HA   GLN  32           HA       GLN  32   2.661   9.521   0.267
  256   1HB   GLN  32           HB2      GLN  32   0.137   9.838   0.456
  257   2HB   GLN  32           HB1      GLN  32   0.239   9.018   2.011
  258   1HG   GLN  32           HG2      GLN  32   2.242  10.831   2.308
  259   2HG   GLN  32           HG1      GLN  32   1.174  11.734   1.239
  260   1HE2  GLN  32          HE22      GLN  32  -1.590  11.360   3.716
  261   2HE2  GLN  32          HE21      GLN  32  -1.354  10.914   2.096
  262    OH   TYR  33           OH       TYR  33   4.847   2.651   8.343
  263    H    TYR  33           HN       TYR  33   1.564   6.689   2.016
  264    HA   TYR  33           HA       TYR  33   3.150   7.193   4.387
  265   1HB   TYR  33           HB2      TYR  33   1.199   5.713   4.477
  266   2HB   TYR  33           HB1      TYR  33   1.953   4.625   3.315
  267    HD1  TYR  33           HD1      TYR  33   3.979   3.334   3.953
  268    HD2  TYR  33           HD2      TYR  33   1.912   5.731   6.793
  269    HE1  TYR  33           HE1      TYR  33   5.147   2.184   5.772
  270    HE2  TYR  33           HE2      TYR  33   3.081   4.580   8.616
  271    HH   TYR  33           HH       TYR  33   5.582   3.202   8.622
  272    H    ALA  34           HN       ALA  34   3.496   4.786   1.797
  273    HA   ALA  34           HA       ALA  34   6.023   3.790   2.427
  274   1HB   ALA  34           HB3      ALA  34   4.310   3.777   0.152
  275   2HB   ALA  34           HB2      ALA  34   5.931   4.174  -0.410
  276   3HB   ALA  34           HB1      ALA  34   5.652   2.692   0.499
  277    H    ASN  35           HN       ASN  35   5.190   6.865   0.996
  278    HA   ASN  35           HA       ASN  35   7.771   7.609   0.034
  279   1HB   ASN  35           HB2      ASN  35   5.607   8.814  -0.436
  280   2HB   ASN  35           HB1      ASN  35   5.689   9.475   1.195
  281   1HD2  ASN  35          HD22      ASN  35   8.760  10.573  -1.319
  282   2HD2  ASN  35          HD21      ASN  35   8.219   8.965  -1.325
  283    H    ASP  36           HN       ASP  36   6.310   7.794   3.227
  284    HA   ASP  36           HA       ASP  36   8.373   9.416   4.419
  285   1HB   ASP  36           HB2      ASP  36   6.199   7.637   5.463
  286   2HB   ASP  36           HB1      ASP  36   7.450   8.196   6.569
  287    H    ASN  37           HN       ASN  37   8.791   6.605   2.956
  288    HA   ASN  37           HA       ASN  37  10.957   5.756   4.836
  289   1HB   ASN  37           HB2      ASN  37   9.098   3.951   3.270
  290   2HB   ASN  37           HB1      ASN  37  10.492   3.400   4.197
  291   1HD2  ASN  37          HD22      ASN  37   7.105   4.619   6.152
  292   2HD2  ASN  37          HD21      ASN  37   7.304   4.968   4.503
  293    H    GLY  38           HN       GLY  38   9.721   5.502   1.527
  294   1HA   GLY  38           HA2      GLY  38  11.337   6.405  -0.229
  295   2HA   GLY  38           HA1      GLY  38  12.558   5.415   0.561
  296    H    VAL  39           HN       VAL  39   9.424   4.067   0.466
  297    HA   VAL  39           HA       VAL  39  10.371   2.060  -1.495
  298    HB   VAL  39           HB       VAL  39   7.907   2.100   0.266
  299   1HG1  VAL  39          HG12      VAL  39   8.998   0.173  -1.768
  300   2HG1  VAL  39          HG11      VAL  39   8.133  -0.454  -0.368
  301   3HG1  VAL  39          HG13      VAL  39   7.328   0.651  -1.479
  302   1HG2  VAL  39          HG22      VAL  39  10.148   1.934   1.426
  303   2HG2  VAL  39          HG21      VAL  39   9.127   0.516   1.646
  304   3HG2  VAL  39          HG23      VAL  39  10.459   0.471   0.496
  305    H    ASP  40           HN       ASP  40  10.089   2.879  -3.525
  306    HA   ASP  40           HA       ASP  40   7.290   3.286  -4.391
  307   1HB   ASP  40           HB2      ASP  40   9.453   5.385  -4.590
  308   2HB   ASP  40           HB1      ASP  40   8.046   5.391  -5.651
  309    H    GLY  41           HN       GLY  41   6.993   2.197  -6.227
  310   1HA   GLY  41           HA2      GLY  41   8.668   2.324  -8.514
  311   2HA   GLY  41           HA1      GLY  41   9.114   0.877  -7.615
  312    H    GLU  42           HN       GLU  42   7.620  -0.816  -7.423
  313    HA   GLU  42           HA       GLU  42   5.452  -0.741  -9.471
  314   1HB   GLU  42           HB2      GLU  42   6.488  -3.170  -8.030
  315   2HB   GLU  42           HB1      GLU  42   5.612  -3.111  -9.554
  316   1HG   GLU  42           HG2      GLU  42   7.584  -1.753 -10.472
  317   2HG   GLU  42           HG1      GLU  42   8.457  -2.214  -9.013
  318    CH2  TRP  43           CH2      TRP  43   2.127   2.527  -2.167
  319    H    TRP  43           HN       TRP  43   3.374  -0.794  -8.864
  320    HA   TRP  43           HA       TRP  43   2.773  -1.367  -5.982
  321   1HB   TRP  43           HB2      TRP  43   1.719   0.703  -7.881
  322   2HB   TRP  43           HB1      TRP  43   0.759   0.193  -6.504
  323    HD1  TRP  43           HD1      TRP  43   4.331   1.453  -7.274
  324    HE1  TRP  43           HE1      TRP  43   5.058   2.809  -5.252
  325    HE3  TRP  43           HE3      TRP  43   0.388   0.666  -4.349
  326    HZ2  TRP  43           HZ2      TRP  43   4.034   3.409  -2.534
  327    HZ3  TRP  43           HZ3      TRP  43   0.240   1.538  -2.074
  328    HH2  TRP  43           HH2      TRP  43   2.061   2.905  -1.158
  329    H    THR  44           HN       THR  44   1.266  -2.847  -5.547
  330    HA   THR  44           HA       THR  44  -0.335  -3.934  -7.835
  331    HB   THR  44           HB       THR  44  -0.240  -6.123  -6.390
  332    HG1  THR  44           HG1      THR  44   1.880  -4.487  -5.416
  333   1HG2  THR  44          HG22      THR  44   1.156  -5.620  -8.526
  334   2HG2  THR  44          HG21      THR  44   2.440  -5.146  -7.418
  335   3HG2  THR  44          HG23      THR  44   1.830  -6.798  -7.403
  336    OH   TYR  45           OH       TYR  45  -8.868  -1.328  -3.170
  337    H    TYR  45           HN       TYR  45  -2.335  -5.049  -7.140
  338    HA   TYR  45           HA       TYR  45  -3.520  -3.977  -4.623
  339   1HB   TYR  45           HB2      TYR  45  -4.016  -2.544  -6.729
  340   2HB   TYR  45           HB1      TYR  45  -5.022  -3.896  -7.251
  341    HD1  TYR  45           HD1      TYR  45  -6.557  -4.770  -4.948
  342    HD2  TYR  45           HD2      TYR  45  -5.297  -0.822  -5.885
  343    HE1  TYR  45           HE1      TYR  45  -8.337  -3.870  -3.547
  344    HE2  TYR  45           HE2      TYR  45  -7.114   0.079  -4.519
  345    HH   TYR  45           HH       TYR  45  -9.326  -0.661  -3.687
  346    H    ASP  46           HN       ASP  46  -4.529  -5.578  -3.560
  347    HA   ASP  46           HA       ASP  46  -5.241  -8.057  -5.078
  348   1HB   ASP  46           HB2      ASP  46  -3.542  -8.054  -3.105
  349   2HB   ASP  46           HB1      ASP  46  -4.972  -7.914  -2.087
  350    H    ASP  47           HN       ASP  47  -7.256  -6.874  -5.685
  351    HA   ASP  47           HA       ASP  47  -9.200  -6.111  -3.718
  352   1HB   ASP  47           HB2      ASP  47  -9.148  -5.553  -6.237
  353   2HB   ASP  47           HB1      ASP  47  -9.895  -7.132  -6.470
  354    H    ALA  48           HN       ALA  48  -7.949  -9.089  -4.314
  355    HA   ALA  48           HA       ALA  48 -10.353 -10.713  -4.193
  356   1HB   ALA  48           HB1      ALA  48  -7.714 -11.203  -4.791
  357   2HB   ALA  48           HB3      ALA  48  -7.873 -11.938  -3.199
  358   3HB   ALA  48           HB2      ALA  48  -8.927 -12.448  -4.512
  359    H    THR  49           HN       THR  49  -8.241  -9.230  -1.858
  360    HA   THR  49           HA       THR  49 -10.087 -10.099   0.294
  361    HB   THR  49           HB       THR  49  -7.997 -10.653   1.731
  362    HG1  THR  49           HG1      THR  49  -6.612  -9.627   0.168
  363   1HG2  THR  49          HG22      THR  49  -9.515 -12.386   0.462
  364   2HG2  THR  49          HG21      THR  49  -8.194 -12.437  -0.703
  365   3HG2  THR  49          HG23      THR  49  -7.911 -12.908   0.971
  366    H    LYS  50           HN       LYS  50  -9.183  -7.595  -1.178
  367    HA   LYS  50           HA       LYS  50  -8.740  -5.358  -0.647
  368   1HB   LYS  50           HB2      LYS  50  -9.823  -6.297   2.020
  369   2HB   LYS  50           HB1      LYS  50  -9.597  -4.614   1.570
  370   1HG   LYS  50           HG2      LYS  50 -11.537  -4.600   0.411
  371   2HG   LYS  50           HG1      LYS  50 -11.028  -5.992  -0.533
  372   1HD   LYS  50           HD2      LYS  50 -13.046  -6.627   0.626
  373   2HD   LYS  50           HD1      LYS  50 -11.722  -7.458   1.428
  374   1HE   LYS  50           HE2      LYS  50 -11.715  -5.212   2.901
  375   2HE   LYS  50           HE1      LYS  50 -13.396  -5.172   2.391
  376   1HZ   LYS  50           HZ3      LYS  50 -13.062  -7.743   3.120
  377   2HZ   LYS  50           HZ2      LYS  50 -12.083  -6.928   4.244
  378   3HZ   LYS  50           HZ1      LYS  50 -13.727  -6.527   4.102
  379    H    THR  51           HN       THR  51  -6.464  -6.478  -0.811
  380    HA   THR  51           HA       THR  51  -4.932  -5.554   1.582
  381    HB   THR  51           HB       THR  51  -4.759  -8.256   0.212
  382    HG1  THR  51           HG1      THR  51  -4.426  -7.757   2.916
  383   1HG2  THR  51          HG21      THR  51  -2.693  -6.915   1.992
  384   2HG2  THR  51          HG23      THR  51  -2.709  -8.623   1.594
  385   3HG2  THR  51          HG22      THR  51  -2.423  -7.428   0.335
  386    H    PHE  52           HN       PHE  52  -3.671  -3.910   0.837
  387    HA   PHE  52           HA       PHE  52  -2.961  -3.732  -1.989
  388   1HB   PHE  52           HB2      PHE  52  -2.973  -1.979   0.309
  389   2HB   PHE  52           HB1      PHE  52  -1.457  -1.863  -0.572
  390    HD1  PHE  52           HD1      PHE  52  -1.440  -1.198  -2.969
  391    HD2  PHE  52           HD2      PHE  52  -5.040  -1.311  -0.736
  392    HE1  PHE  52           HE1      PHE  52  -2.591   0.077  -4.731
  393    HE2  PHE  52           HE2      PHE  52  -6.139   0.085  -2.397
  394    HZ   PHE  52           HZ       PHE  52  -4.904   0.828  -4.375
  395    H    THR  53           HN       THR  53  -0.663  -3.419  -2.641
  396    HA   THR  53           HA       THR  53   1.404  -4.444  -0.848
  397    HB   THR  53           HB       THR  53   0.488  -6.094  -3.232
  398    HG1  THR  53           HG1      THR  53   1.003  -7.107  -0.717
  399   1HG2  THR  53          HG23      THR  53   3.002  -6.142  -1.539
  400   2HG2  THR  53          HG22      THR  53   2.358  -7.628  -2.233
  401   3HG2  THR  53          HG21      THR  53   2.872  -6.315  -3.287
  402    H    VAL  54           HN       VAL  54   3.405  -3.772  -1.474
  403    HA   VAL  54           HA       VAL  54   3.741  -2.732  -4.242
  404    HB   VAL  54           HB       VAL  54   3.052  -0.839  -2.719
  405   1HG1  VAL  54          HG13      VAL  54   4.253  -1.854  -0.732
  406   2HG1  VAL  54          HG12      VAL  54   5.759  -1.284  -1.441
  407   3HG1  VAL  54          HG11      VAL  54   4.516  -0.132  -0.962
  408   1HG2  VAL  54          HG23      VAL  54   5.830  -0.833  -3.930
  409   2HG2  VAL  54          HG22      VAL  54   4.344  -0.246  -4.654
  410   3HG2  VAL  54          HG21      VAL  54   5.062   0.614  -3.303
  411    H    THR  55           HN       THR  55   5.924  -2.687  -4.916
  412    HA   THR  55           HA       THR  55   7.928  -3.835  -3.033
  413    HB   THR  55           HB       THR  55   7.336  -5.036  -5.773
  414    HG1  THR  55           HG1      THR  55   6.084  -6.294  -4.615
  415   1HG2  THR  55          HG21      THR  55   9.524  -5.335  -3.781
  416   2HG2  THR  55          HG23      THR  55   8.776  -6.845  -4.295
  417   3HG2  THR  55          HG22      THR  55   9.506  -5.774  -5.483
  418    H    GLU  56           HN       GLU  56   9.676  -2.547  -3.139
  419    HA   GLU  56           HA       GLU  56  10.073  -0.605  -5.218
  420   1HB   GLU  56           HB2      GLU  56  11.172  -1.092  -2.708
  421   2HB   GLU  56           HB1      GLU  56  12.519  -1.335  -3.809
  422   1HG   GLU  56           HG2      GLU  56  11.901   0.867  -4.904
  423   2HG   GLU  56           HG1      GLU  56  10.742   1.116  -3.603
   
  Start of MODEL           7
 Raw file had 423 H/Q atoms
  Entry Start of MODEL    7
    1   1H    MET   1           HT1      MET   1 -12.993   1.528   1.858
    2   2H    MET   1           HT3      MET   1 -13.392  -0.025   1.299
    3   3H    MET   1           HT2      MET   1 -14.572   0.937   2.052
    4    HA   MET   1           HA       MET   1 -13.719   0.629   4.144
    5   1HB   MET   1           HB2      MET   1 -13.121  -1.890   2.574
    6   2HB   MET   1           HB1      MET   1 -13.135  -1.814   4.332
    7   1HG   MET   1           HG2      MET   1 -15.434  -1.176   2.476
    8   2HG   MET   1           HG1      MET   1 -15.294  -2.589   3.485
    9   1HE   MET   1           HE2      MET   1 -15.993   1.118   3.162
   10   2HE   MET   1           HE1      MET   1 -17.417   0.094   2.973
   11   3HE   MET   1           HE3      MET   1 -17.329   1.247   4.304
   12    H    THR   2           HN       THR   2 -11.748  -0.917   5.177
   13    HA   THR   2           HA       THR   2  -9.337   0.666   4.473
   14    HB   THR   2           HB       THR   2  -9.821  -1.160   6.864
   15    HG1  THR   2           HG1      THR   2 -11.173   0.676   6.753
   16   1HG2  THR   2          HG23      THR   2  -7.412  -0.095   5.903
   17   2HG2  THR   2          HG22      THR   2  -7.956   1.085   7.088
   18   3HG2  THR   2          HG21      THR   2  -7.720  -0.591   7.563
   19    OH   TYR   3           OH       TYR   3 -11.426   0.444  -1.069
   20    H    TYR   3           HN       TYR   3  -7.763  -0.196   3.275
   21    HA   TYR   3           HA       TYR   3  -7.776  -3.143   2.841
   22   1HB   TYR   3           HB2      TYR   3  -6.034  -1.158   1.385
   23   2HB   TYR   3           HB1      TYR   3  -6.555  -2.753   0.850
   24    HD1  TYR   3           HD1      TYR   3  -7.754   0.696   1.568
   25    HD2  TYR   3           HD2      TYR   3  -8.668  -3.041  -0.235
   26    HE1  TYR   3           HE1      TYR   3  -9.730   1.686   0.504
   27    HE2  TYR   3           HE2      TYR   3 -10.638  -2.052  -1.300
   28    HH   TYR   3           HH       TYR   3 -11.824  -0.223  -1.635
   29    H    LYS   4           HN       LYS   4  -5.391  -3.977   2.455
   30    HA   LYS   4           HA       LYS   4  -3.738  -3.035   4.771
   31   1HB   LYS   4           HB2      LYS   4  -4.888  -5.243   5.123
   32   2HB   LYS   4           HB1      LYS   4  -3.994  -5.872   3.760
   33   1HG   LYS   4           HG2      LYS   4  -2.044  -6.041   4.931
   34   2HG   LYS   4           HG1      LYS   4  -2.286  -4.510   5.753
   35   1HD   LYS   4           HD2      LYS   4  -2.375  -6.262   7.420
   36   2HD   LYS   4           HD1      LYS   4  -4.010  -5.651   7.215
   37   1HE   LYS   4           HE2      LYS   4  -3.862  -7.644   5.291
   38   2HE   LYS   4           HE1      LYS   4  -2.913  -8.314   6.610
   39   1HZ   LYS   4           HZ3      LYS   4  -5.577  -7.124   7.063
   40   2HZ   LYS   4           HZ2      LYS   4  -5.386  -8.753   6.623
   41   3HZ   LYS   4           HZ1      LYS   4  -4.703  -8.179   8.067
   42    H    LEU   5           HN       LEU   5  -1.929  -2.132   4.003
   43    HA   LEU   5           HA       LEU   5  -0.913  -2.843   1.364
   44   1HB   LEU   5           HB2      LEU   5  -0.756  -0.524   2.026
   45   2HB   LEU   5           HB1      LEU   5   0.048  -0.942   3.531
   46    HG   LEU   5           HG       LEU   5   2.017  -1.792   2.156
   47   1HD1  LEU   5          HD12      LEU   5   0.434  -0.495  -0.086
   48   2HD1  LEU   5          HD11      LEU   5   2.113  -1.000  -0.211
   49   3HD1  LEU   5          HD13      LEU   5   0.853  -2.200   0.025
   50   1HD2  LEU   5          HD22      LEU   5   1.827   0.532   3.149
   51   2HD2  LEU   5          HD21      LEU   5   2.907   0.400   1.764
   52   3HD2  LEU   5          HD23      LEU   5   1.296   1.081   1.563
   53    H    ILE   6           HN       ILE   6   1.143  -3.726   0.942
   54    HA   ILE   6           HA       ILE   6   2.499  -5.072   3.191
   55    HB   ILE   6           HB       ILE   6   1.630  -6.249   0.562
   56   1HG1  ILE   6          HG12      ILE   6   1.534  -7.251   3.433
   57   2HG1  ILE   6          HG11      ILE   6   0.200  -6.446   2.624
   58   1HG2  ILE   6          HG21      ILE   6   3.940  -7.061   2.348
   59   2HG2  ILE   6          HG23      ILE   6   3.134  -8.229   1.310
   60   3HG2  ILE   6          HG22      ILE   6   3.946  -6.845   0.601
   61   1HD1  ILE   6           HD1      ILE   6   0.721  -8.376   0.793
   62   2HD1  ILE   6           HD3      ILE   6   1.242  -9.210   2.253
   63   3HD1  ILE   6           HD2      ILE   6  -0.403  -8.607   2.125
   64    H    LEU   7           HN       LEU   7   4.275  -3.815   3.311
   65    HA   LEU   7           HA       LEU   7   5.567  -2.757   0.921
   66   1HB   LEU   7           HB2      LEU   7   6.250  -2.676   3.853
   67   2HB   LEU   7           HB1      LEU   7   7.286  -1.964   2.623
   68    HG   LEU   7           HG       LEU   7   4.397  -1.272   2.466
   69   1HD1  LEU   7          HD12      LEU   7   6.237  -0.366   4.697
   70   2HD1  LEU   7          HD11      LEU   7   4.825   0.560   4.203
   71   3HD1  LEU   7          HD13      LEU   7   4.630  -1.067   4.847
   72   1HD2  LEU   7          HD21      LEU   7   6.157  -0.376   0.930
   73   2HD2  LEU   7          HD23      LEU   7   5.345   0.899   1.831
   74   3HD2  LEU   7          HD22      LEU   7   6.951   0.365   2.315
   75    H    ASN   8           HN       ASN   8   6.751  -4.019  -0.352
   76    HA   ASN   8           HA       ASN   8   8.396  -6.166   0.909
   77   1HB   ASN   8           HB2      ASN   8   6.844  -5.943  -1.543
   78   2HB   ASN   8           HB1      ASN   8   8.486  -6.448  -1.882
   79   1HD2  ASN   8          HD22      ASN   8   6.025  -9.208  -0.721
   80   2HD2  ASN   8          HD21      ASN   8   5.663  -7.815  -1.609
   81    H    GLY   9           HN       GLY   9   9.191  -3.479   1.125
   82   1HA   GLY   9           HA2      GLY   9  10.950  -2.546  -0.884
   83   2HA   GLY   9           HA1      GLY   9  11.108  -2.150   0.821
   84    H    LYS  10           HN       LYS  10  13.119  -2.823  -1.275
   85    HA   LYS  10           HA       LYS  10  14.214  -5.417  -0.836
   86   1HB   LYS  10           HB2      LYS  10  14.915  -3.929  -2.684
   87   2HB   LYS  10           HB1      LYS  10  15.672  -2.850  -1.518
   88   1HG   LYS  10           HG2      LYS  10  17.234  -4.575  -0.836
   89   2HG   LYS  10           HG1      LYS  10  16.392  -5.784  -1.798
   90   1HD   LYS  10           HD2      LYS  10  17.233  -3.387  -3.312
   91   2HD   LYS  10           HD1      LYS  10  18.562  -4.351  -2.677
   92   1HE   LYS  10           HE2      LYS  10  16.238  -5.538  -4.224
   93   2HE   LYS  10           HE1      LYS  10  17.750  -5.050  -4.980
   94   1HZ   LYS  10           HZ1      LYS  10  17.747  -6.885  -2.675
   95   2HZ   LYS  10           HZ3      LYS  10  17.471  -7.466  -4.247
   96   3HZ   LYS  10           HZ2      LYS  10  18.929  -6.679  -3.876
   97    H    THR  11           HN       THR  11  15.282  -2.313   0.545
   98    HA   THR  11           HA       THR  11  16.736  -3.765   2.648
   99    HB   THR  11           HB       THR  11  17.726  -1.607   3.156
  100    HG1  THR  11           HG1      THR  11  16.488   0.093   2.897
  101   1HG2  THR  11          HG22      THR  11  17.996  -2.668   0.661
  102   2HG2  THR  11          HG21      THR  11  17.255  -1.124   0.257
  103   3HG2  THR  11          HG23      THR  11  18.779  -1.164   1.138
  104    H    LEU  12           HN       LEU  12  13.603  -3.001   2.268
  105    HA   LEU  12           HA       LEU  12  13.178  -2.919   5.190
  106   1HB   LEU  12           HB2      LEU  12  13.413  -0.517   4.346
  107   2HB   LEU  12           HB1      LEU  12  11.898  -0.779   3.489
  108    HG   LEU  12           HG       LEU  12  11.261  -1.730   5.979
  109   1HD1  LEU  12          HD13      LEU  12  13.477  -0.985   6.851
  110   2HD1  LEU  12          HD12      LEU  12  13.089   0.664   6.371
  111   3HD1  LEU  12          HD11      LEU  12  12.143  -0.133   7.625
  112   1HD2  LEU  12          HD22      LEU  12  11.077   1.123   4.953
  113   2HD2  LEU  12          HD21      LEU  12   9.913  -0.164   4.655
  114   3HD2  LEU  12          HD23      LEU  12  10.122   0.475   6.282
  115    H    LYS  13           HN       LYS  13  11.214  -3.737   5.815
  116    HA   LYS  13           HA       LYS  13   9.185  -4.290   3.722
  117   1HB   LYS  13           HB2      LYS  13  10.260  -6.425   5.584
  118   2HB   LYS  13           HB1      LYS  13   8.989  -6.635   4.389
  119   1HG   LYS  13           HG2      LYS  13  10.635  -5.981   2.602
  120   2HG   LYS  13           HG1      LYS  13  11.887  -5.919   3.832
  121   1HD   LYS  13           HD2      LYS  13  11.971  -8.101   2.736
  122   2HD   LYS  13           HD1      LYS  13  11.424  -8.311   4.393
  123   1HE   LYS  13           HE2      LYS  13   9.299  -8.924   3.758
  124   2HE   LYS  13           HE1      LYS  13   9.292  -7.856   2.363
  125   1HZ   LYS  13           HZ3      LYS  13  10.829  -9.405   1.265
  126   2HZ   LYS  13           HZ2      LYS  13  10.689 -10.459   2.589
  127   3HZ   LYS  13           HZ1      LYS  13   9.329 -10.112   1.634
  128    H    GLY  14           HN       GLY  14   7.117  -4.140   4.483
  129   1HA   GLY  14           HA2      GLY  14   6.550  -4.399   7.347
  130   2HA   GLY  14           HA1      GLY  14   6.414  -2.752   6.740
  131    H    GLU  15           HN       GLU  15   4.149  -3.128   7.499
  132    HA   GLU  15           HA       GLU  15   2.405  -3.525   5.277
  133   1HB   GLU  15           HB2      GLU  15   1.213  -5.568   6.395
  134   2HB   GLU  15           HB1      GLU  15   2.636  -5.853   5.400
  135   1HG   GLU  15           HG2      GLU  15   4.023  -6.218   7.260
  136   2HG   GLU  15           HG1      GLU  15   2.961  -5.330   8.348
  137    H    THR  16           HN       THR  16   0.714  -2.246   5.710
  138    HA   THR  16           HA       THR  16  -0.347  -2.138   8.488
  139    HB   THR  16           HB       THR  16   1.242  -0.243   8.381
  140    HG1  THR  16           HG1      THR  16  -0.993  -0.124   9.252
  141   1HG2  THR  16          HG22      THR  16   0.436  -0.088   5.681
  142   2HG2  THR  16          HG21      THR  16  -0.289   1.319   6.450
  143   3HG2  THR  16          HG23      THR  16   1.452   1.075   6.526
  144    H    THR  17           HN       THR  17  -2.294  -0.363   8.328
  145    HA   THR  17           HA       THR  17  -3.835  -0.969   5.843
  146    HB   THR  17           HB       THR  17  -5.735  -1.718   7.069
  147    HG1  THR  17           HG1      THR  17  -5.854  -0.074   8.545
  148   1HG2  THR  17          HG21      THR  17  -3.617  -3.223   7.414
  149   2HG2  THR  17          HG23      THR  17  -3.566  -2.508   9.023
  150   3HG2  THR  17          HG22      THR  17  -4.969  -3.446   8.520
  151    H    THR  18           HN       THR  18  -5.033   0.674   5.054
  152    HA   THR  18           HA       THR  18  -5.169   3.186   6.690
  153    HB   THR  18           HB       THR  18  -3.538   3.126   4.619
  154    HG1  THR  18           HG1      THR  18  -5.027   4.878   5.864
  155   1HG2  THR  18          HG23      THR  18  -5.592   2.243   3.177
  156   2HG2  THR  18          HG22      THR  18  -6.072   3.937   3.203
  157   3HG2  THR  18          HG21      THR  18  -4.526   3.470   2.502
  158    H    GLU  19           HN       GLU  19  -7.049   4.384   6.559
  159    HA   GLU  19           HA       GLU  19  -9.417   2.897   5.648
  160   1HB   GLU  19           HB2      GLU  19  -9.345   5.677   6.832
  161   2HB   GLU  19           HB1      GLU  19 -10.695   4.549   6.817
  162   1HG   GLU  19           HG2      GLU  19  -9.985   3.852   8.854
  163   2HG   GLU  19           HG1      GLU  19  -8.615   3.118   8.029
  164    H    ALA  20           HN       ALA  20 -10.095   3.060   3.611
  165    HA   ALA  20           HA       ALA  20 -10.056   5.735   2.303
  166   1HB   ALA  20           HB2      ALA  20  -8.494   3.388   1.523
  167   2HB   ALA  20           HB1      ALA  20  -9.501   4.000   0.214
  168   3HB   ALA  20           HB3      ALA  20  -8.337   5.059   0.999
  169    H    VAL  21           HN       VAL  21 -11.816   6.132   1.028
  170    HA   VAL  21           HA       VAL  21 -14.025   4.204   1.223
  171    HB   VAL  21           HB       VAL  21 -14.292   6.702   1.535
  172   1HG1  VAL  21          HG12      VAL  21 -12.806   6.959  -0.688
  173   2HG1  VAL  21          HG11      VAL  21 -14.397   6.955  -1.442
  174   3HG1  VAL  21          HG13      VAL  21 -14.000   8.170  -0.230
  175   1HG2  VAL  21          HG23      VAL  21 -15.924   5.356  -0.648
  176   2HG2  VAL  21          HG22      VAL  21 -16.222   5.232   1.083
  177   3HG2  VAL  21          HG21      VAL  21 -16.428   6.776   0.263
  178    H    ASP  22           HN       ASP  22 -11.687   5.193  -1.117
  179    HA   ASP  22           HA       ASP  22 -12.918   3.315  -3.077
  180   1HB   ASP  22           HB2      ASP  22 -12.073   5.086  -4.839
  181   2HB   ASP  22           HB1      ASP  22 -13.640   5.295  -4.061
  182    H    ALA  23           HN       ALA  23 -11.402   2.549  -4.696
  183    HA   ALA  23           HA       ALA  23  -8.842   1.890  -3.560
  184   1HB   ALA  23           HB1      ALA  23 -10.200   1.437  -6.183
  185   2HB   ALA  23           HB3      ALA  23  -8.461   1.177  -6.092
  186   3HB   ALA  23           HB2      ALA  23  -9.544   0.263  -5.048
  187    H    ALA  24           HN       ALA  24  -9.922   4.340  -5.820
  188    HA   ALA  24           HA       ALA  24  -7.407   5.120  -6.881
  189   1HB   ALA  24           HB2      ALA  24  -9.944   5.958  -7.274
  190   2HB   ALA  24           HB1      ALA  24  -9.353   7.278  -6.271
  191   3HB   ALA  24           HB3      ALA  24  -8.542   6.893  -7.786
  192    H    THR  25           HN       THR  25  -9.173   6.611  -4.166
  193    HA   THR  25           HA       THR  25  -6.976   8.261  -3.353
  194    HB   THR  25           HB       THR  25  -9.534   8.369  -2.662
  195    HG1  THR  25           HG1      THR  25  -8.605   9.321  -0.629
  196   1HG2  THR  25          HG21      THR  25  -9.159   6.052  -1.404
  197   2HG2  THR  25          HG23      THR  25  -8.393   7.074  -0.192
  198   3HG2  THR  25          HG22      THR  25 -10.082   7.328  -0.615
  199    H    ALA  26           HN       ALA  26  -7.585   4.920  -2.974
  200    HA   ALA  26           HA       ALA  26  -5.976   4.573  -0.565
  201   1HB   ALA  26           HB2      ALA  26  -7.777   2.976  -1.248
  202   2HB   ALA  26           HB1      ALA  26  -6.780   2.497  -2.615
  203   3HB   ALA  26           HB3      ALA  26  -6.226   2.189  -0.973
  204    H    GLU  27           HN       GLU  27  -5.460   4.385  -4.037
  205    HA   GLU  27           HA       GLU  27  -2.851   3.220  -3.976
  206   1HB   GLU  27           HB2      GLU  27  -4.233   5.037  -5.956
  207   2HB   GLU  27           HB1      GLU  27  -2.628   4.380  -6.235
  208   1HG   GLU  27           HG2      GLU  27  -3.577   2.074  -5.889
  209   2HG   GLU  27           HG1      GLU  27  -5.178   2.802  -5.801
  210    H    LYS  28           HN       LYS  28  -3.907   6.611  -4.089
  211    HA   LYS  28           HA       LYS  28  -1.186   7.622  -3.927
  212   1HB   LYS  28           HB2      LYS  28  -2.305   9.833  -3.602
  213   2HB   LYS  28           HB1      LYS  28  -2.861   8.973  -5.030
  214   1HG   LYS  28           HG2      LYS  28  -4.978   9.106  -4.244
  215   2HG   LYS  28           HG1      LYS  28  -4.507   8.085  -2.899
  216   1HD   LYS  28           HD2      LYS  28  -5.381  10.059  -1.895
  217   2HD   LYS  28           HD1      LYS  28  -3.638  10.222  -1.762
  218   1HE   LYS  28           HE2      LYS  28  -5.568  11.780  -3.391
  219   2HE   LYS  28           HE1      LYS  28  -4.036  12.282  -2.692
  220   1HZ   LYS  28           HZ2      LYS  28  -4.218  10.496  -5.045
  221   2HZ   LYS  28           HZ1      LYS  28  -4.115  12.184  -5.169
  222   3HZ   LYS  28           HZ3      LYS  28  -2.850  11.307  -4.457
  223    H    VAL  29           HN       VAL  29  -3.784   7.065  -1.606
  224    HA   VAL  29           HA       VAL  29  -2.666   8.470   0.597
  225    HB   VAL  29           HB       VAL  29  -4.456   6.059   0.396
  226   1HG1  VAL  29          HG12      VAL  29  -3.133   7.251   2.828
  227   2HG1  VAL  29          HG11      VAL  29  -4.733   6.526   2.955
  228   3HG1  VAL  29          HG13      VAL  29  -3.367   5.553   2.423
  229   1HG2  VAL  29          HG21      VAL  29  -5.041   8.636   0.038
  230   2HG2  VAL  29          HG23      VAL  29  -6.154   7.570   0.890
  231   3HG2  VAL  29          HG22      VAL  29  -5.082   8.633   1.798
  232    H    PHE  30           HN       PHE  30  -2.430   4.982  -0.105
  233    HA   PHE  30           HA       PHE  30  -0.470   4.421   1.875
  234   1HB   PHE  30           HB2      PHE  30  -1.340   3.086  -0.663
  235   2HB   PHE  30           HB1      PHE  30   0.123   2.515   0.129
  236    HD1  PHE  30           HD1      PHE  30  -0.206   2.334   2.851
  237    HD2  PHE  30           HD2      PHE  30  -3.305   1.971  -0.055
  238    HE1  PHE  30           HE1      PHE  30  -1.578   1.082   4.462
  239    HE2  PHE  30           HE2      PHE  30  -4.658   0.714   1.558
  240    HZ   PHE  30           HZ       PHE  30  -3.791   0.239   3.806
  241    H    LYS  31           HN       LYS  31  -0.118   5.333  -1.532
  242    HA   LYS  31           HA       LYS  31   2.683   5.100  -1.750
  243   1HB   LYS  31           HB2      LYS  31   1.111   5.657  -3.626
  244   2HB   LYS  31           HB1      LYS  31   1.000   7.293  -2.979
  245   1HG   LYS  31           HG2      LYS  31   3.456   7.554  -3.217
  246   2HG   LYS  31           HG1      LYS  31   3.567   5.918  -3.853
  247   1HD   LYS  31           HD2      LYS  31   3.538   7.517  -5.714
  248   2HD   LYS  31           HD1      LYS  31   2.061   6.562  -5.733
  249   1HE   LYS  31           HE2      LYS  31   0.736   8.346  -5.053
  250   2HE   LYS  31           HE1      LYS  31   2.049   9.132  -4.188
  251   1HZ   LYS  31           HZ2      LYS  31   2.995   9.302  -6.628
  252   2HZ   LYS  31           HZ1      LYS  31   1.341   9.260  -7.010
  253   3HZ   LYS  31           HZ3      LYS  31   1.944  10.469  -5.982
  254    H    GLN  32           HN       GLN  32   0.726   7.697  -0.399
  255    HA   GLN  32           HA       GLN  32   2.846   9.566   0.017
  256   1HB   GLN  32           HB2      GLN  32   0.415  10.104   0.234
  257   2HB   GLN  32           HB1      GLN  32   0.370   9.165   1.722
  258   1HG   GLN  32           HG2      GLN  32   1.876  10.665   2.827
  259   2HG   GLN  32           HG1      GLN  32   2.319  11.451   1.314
  260   1HE2  GLN  32          HE22      GLN  32  -0.085  13.916   2.060
  261   2HE2  GLN  32          HE21      GLN  32   1.544  13.562   1.744
  262    OH   TYR  33           OH       TYR  33   4.955   2.943   8.307
  263    H    TYR  33           HN       TYR  33   1.754   6.767   1.797
  264    HA   TYR  33           HA       TYR  33   3.368   7.300   4.154
  265   1HB   TYR  33           HB2      TYR  33   1.370   5.860   4.273
  266   2HB   TYR  33           HB1      TYR  33   2.128   4.717   3.171
  267    HD1  TYR  33           HD1      TYR  33   4.250   3.552   3.878
  268    HD2  TYR  33           HD2      TYR  33   1.943   5.863   6.603
  269    HE1  TYR  33           HE1      TYR  33   5.389   2.472   5.757
  270    HE2  TYR  33           HE2      TYR  33   3.083   4.780   8.485
  271    HH   TYR  33           HH       TYR  33   5.901   3.037   8.175
  272    H    ALA  34           HN       ALA  34   3.618   4.790   1.648
  273    HA   ALA  34           HA       ALA  34   6.130   3.764   2.261
  274   1HB   ALA  34           HB3      ALA  34   4.382   3.653   0.057
  275   2HB   ALA  34           HB2      ALA  34   5.942   4.137  -0.601
  276   3HB   ALA  34           HB1      ALA  34   5.802   2.650   0.333
  277    H    ASN  35           HN       ASN  35   5.363   6.786   0.652
  278    HA   ASN  35           HA       ASN  35   7.989   7.437  -0.263
  279   1HB   ASN  35           HB2      ASN  35   5.698   8.610  -0.716
  280   2HB   ASN  35           HB1      ASN  35   6.077   9.533   0.735
  281   1HD2  ASN  35          HD22      ASN  35   9.218  10.733  -0.904
  282   2HD2  ASN  35          HD21      ASN  35   8.866   9.827   0.487
  283    H    ASP  36           HN       ASP  36   6.385   7.908   2.837
  284    HA   ASP  36           HA       ASP  36   8.482   9.515   4.004
  285   1HB   ASP  36           HB2      ASP  36   6.407   7.766   5.357
  286   2HB   ASP  36           HB1      ASP  36   7.371   9.012   6.147
  287    H    ASN  37           HN       ASN  37   8.798   6.584   2.805
  288    HA   ASN  37           HA       ASN  37  10.821   5.780   4.848
  289   1HB   ASN  37           HB2      ASN  37   8.731   4.027   3.544
  290   2HB   ASN  37           HB1      ASN  37  10.164   3.374   4.335
  291   1HD2  ASN  37          HD22      ASN  37   7.033   4.548   6.571
  292   2HD2  ASN  37          HD21      ASN  37   6.969   4.458   4.877
  293    H    GLY  38           HN       GLY  38   9.729   5.773   1.527
  294   1HA   GLY  38           HA2      GLY  38  11.268   6.037  -0.324
  295   2HA   GLY  38           HA1      GLY  38  12.542   5.340   0.672
  296    H    VAL  39           HN       VAL  39   9.313   4.374  -0.493
  297    HA   VAL  39           HA       VAL  39  10.530   1.866  -1.551
  298    HB   VAL  39           HB       VAL  39   8.062   2.003   0.204
  299   1HG1  VAL  39          HG12      VAL  39   9.052   0.036  -1.743
  300   2HG1  VAL  39          HG11      VAL  39   8.798  -0.653  -0.143
  301   3HG1  VAL  39          HG13      VAL  39   7.471   0.150  -0.977
  302   1HG2  VAL  39          HG23      VAL  39  10.789   0.724   0.621
  303   2HG2  VAL  39          HG22      VAL  39  10.197   2.162   1.447
  304   3HG2  VAL  39          HG21      VAL  39   9.428   0.605   1.732
  305    H    ASP  40           HN       ASP  40   9.940   3.920  -3.182
  306    HA   ASP  40           HA       ASP  40   7.230   3.387  -4.299
  307   1HB   ASP  40           HB2      ASP  40   9.220   5.623  -4.655
  308   2HB   ASP  40           HB1      ASP  40   7.869   5.413  -5.765
  309    H    GLY  41           HN       GLY  41   6.987   2.245  -6.123
  310   1HA   GLY  41           HA2      GLY  41   8.792   2.243  -8.327
  311   2HA   GLY  41           HA1      GLY  41   9.141   0.831  -7.333
  312    H    GLU  42           HN       GLU  42   7.714  -0.870  -7.308
  313    HA   GLU  42           HA       GLU  42   5.583  -0.773  -9.390
  314   1HB   GLU  42           HB2      GLU  42   6.603  -3.210  -7.950
  315   2HB   GLU  42           HB1      GLU  42   5.747  -3.145  -9.485
  316   1HG   GLU  42           HG2      GLU  42   7.945  -1.498  -9.921
  317   2HG   GLU  42           HG1      GLU  42   8.612  -2.798  -8.938
  318    CH2  TRP  43           CH2      TRP  43   2.218   2.550  -2.088
  319    H    TRP  43           HN       TRP  43   3.522  -0.657  -8.784
  320    HA   TRP  43           HA       TRP  43   2.836  -1.347  -5.950
  321   1HB   TRP  43           HB2      TRP  43   1.867   0.791  -7.816
  322   2HB   TRP  43           HB1      TRP  43   0.878   0.277  -6.460
  323    HD1  TRP  43           HD1      TRP  43   4.501   1.438  -7.155
  324    HE1  TRP  43           HE1      TRP  43   5.211   2.789  -5.121
  325    HE3  TRP  43           HE3      TRP  43   0.493   0.713  -4.305
  326    HZ2  TRP  43           HZ2      TRP  43   4.147   3.402  -2.418
  327    HZ3  TRP  43           HZ3      TRP  43   0.314   1.589  -2.033
  328    HH2  TRP  43           HH2      TRP  43   2.140   2.928  -1.080
  329    H    THR  44           HN       THR  44   1.211  -2.729  -5.563
  330    HA   THR  44           HA       THR  44  -0.397  -3.695  -7.902
  331    HB   THR  44           HB       THR  44  -0.336  -5.968  -6.594
  332    HG1  THR  44           HG1      THR  44   1.347  -6.036  -5.142
  333   1HG2  THR  44          HG22      THR  44   1.041  -5.395  -8.714
  334   2HG2  THR  44          HG21      THR  44   2.349  -4.981  -7.609
  335   3HG2  THR  44          HG23      THR  44   1.723  -6.626  -7.657
  336    OH   TYR  45           OH       TYR  45  -8.854  -1.230  -3.027
  337    H    TYR  45           HN       TYR  45  -2.402  -4.833  -7.221
  338    HA   TYR  45           HA       TYR  45  -3.535  -3.833  -4.645
  339   1HB   TYR  45           HB2      TYR  45  -4.078  -2.360  -6.716
  340   2HB   TYR  45           HB1      TYR  45  -5.091  -3.706  -7.242
  341    HD1  TYR  45           HD1      TYR  45  -6.570  -4.623  -4.918
  342    HD2  TYR  45           HD2      TYR  45  -5.356  -0.656  -5.824
  343    HE1  TYR  45           HE1      TYR  45  -8.315  -3.759  -3.456
  344    HE2  TYR  45           HE2      TYR  45  -7.151   0.207  -4.409
  345    HH   TYR  45           HH       TYR  45  -9.159  -0.401  -3.401
  346    H    ASP  46           HN       ASP  46  -4.523  -5.459  -3.598
  347    HA   ASP  46           HA       ASP  46  -5.256  -7.910  -5.152
  348   1HB   ASP  46           HB2      ASP  46  -3.545  -7.985  -3.215
  349   2HB   ASP  46           HB1      ASP  46  -4.941  -7.773  -2.161
  350    H    ASP  47           HN       ASP  47  -7.255  -6.597  -5.694
  351    HA   ASP  47           HA       ASP  47  -9.171  -5.946  -3.661
  352   1HB   ASP  47           HB2      ASP  47  -9.216  -5.103  -6.032
  353   2HB   ASP  47           HB1      ASP  47  -9.758  -6.703  -6.535
  354    H    ALA  48           HN       ALA  48  -7.945  -8.869  -4.314
  355    HA   ALA  48           HA       ALA  48 -10.409 -10.451  -4.304
  356   1HB   ALA  48           HB2      ALA  48  -7.948 -11.006  -5.209
  357   2HB   ALA  48           HB1      ALA  48  -7.789 -11.676  -3.590
  358   3HB   ALA  48           HB3      ALA  48  -9.046 -12.272  -4.669
  359    H    THR  49           HN       THR  49  -8.264  -9.084  -1.967
  360    HA   THR  49           HA       THR  49  -9.952 -10.207   0.197
  361    HB   THR  49           HB       THR  49  -7.945 -10.937   1.502
  362    HG1  THR  49           HG1      THR  49  -6.230 -10.891  -0.548
  363   1HG2  THR  49          HG21      THR  49  -9.031 -12.489  -0.314
  364   2HG2  THR  49          HG23      THR  49  -7.625 -12.068  -1.286
  365   3HG2  THR  49          HG22      THR  49  -7.414 -12.897   0.251
  366    H    LYS  50           HN       LYS  50  -9.084  -7.555  -1.156
  367    HA   LYS  50           HA       LYS  50  -8.751  -5.344  -0.457
  368   1HB   LYS  50           HB2      LYS  50  -9.592  -6.370   2.261
  369   2HB   LYS  50           HB1      LYS  50  -9.707  -4.717   1.670
  370   1HG   LYS  50           HG2      LYS  50 -11.756  -5.182   0.831
  371   2HG   LYS  50           HG1      LYS  50 -11.024  -6.362  -0.243
  372   1HD   LYS  50           HD2      LYS  50 -12.747  -7.456   1.123
  373   2HD   LYS  50           HD1      LYS  50 -11.162  -8.078   1.556
  374   1HE   LYS  50           HE2      LYS  50 -12.995  -7.145   3.371
  375   2HE   LYS  50           HE1      LYS  50 -11.264  -7.209   3.667
  376   1HZ   LYS  50           HZ2      LYS  50 -11.272  -4.905   2.555
  377   2HZ   LYS  50           HZ1      LYS  50 -12.931  -4.907   2.919
  378   3HZ   LYS  50           HZ3      LYS  50 -11.788  -5.047   4.167
  379    H    THR  51           HN       THR  51  -6.448  -6.261  -0.775
  380    HA   THR  51           HA       THR  51  -4.875  -5.465   1.628
  381    HB   THR  51           HB       THR  51  -4.527  -8.095   0.104
  382    HG1  THR  51           HG1      THR  51  -4.792  -8.668   2.457
  383   1HG2  THR  51          HG22      THR  51  -2.442  -6.645   1.247
  384   2HG2  THR  51          HG21      THR  51  -3.006  -7.629   2.587
  385   3HG2  THR  51          HG23      THR  51  -2.480  -8.391   1.094
  386    H    PHE  52           HN       PHE  52  -3.649  -3.783   0.848
  387    HA   PHE  52           HA       PHE  52  -2.998  -3.606  -1.995
  388   1HB   PHE  52           HB2      PHE  52  -2.937  -1.850   0.307
  389   2HB   PHE  52           HB1      PHE  52  -1.441  -1.748  -0.611
  390    HD1  PHE  52           HD1      PHE  52  -1.478  -1.065  -3.011
  391    HD2  PHE  52           HD2      PHE  52  -5.022  -1.158  -0.687
  392    HE1  PHE  52           HE1      PHE  52  -2.656   0.252  -4.727
  393    HE2  PHE  52           HE2      PHE  52  -6.149   0.265  -2.312
  394    HZ   PHE  52           HZ       PHE  52  -4.954   1.010  -4.317
  395    H    THR  53           HN       THR  53  -0.713  -3.390  -2.714
  396    HA   THR  53           HA       THR  53   1.345  -4.459  -0.922
  397    HB   THR  53           HB       THR  53   0.497  -6.034  -3.382
  398    HG1  THR  53           HG1      THR  53  -0.429  -7.298  -1.890
  399   1HG2  THR  53          HG21      THR  53   3.000  -5.925  -2.010
  400   2HG2  THR  53          HG23      THR  53   2.185  -7.386  -1.462
  401   3HG2  THR  53          HG22      THR  53   2.486  -7.140  -3.178
  402    H    VAL  54           HN       VAL  54   3.338  -3.768  -1.493
  403    HA   VAL  54           HA       VAL  54   3.740  -2.743  -4.264
  404    HB   VAL  54           HB       VAL  54   3.105  -0.839  -2.745
  405   1HG1  VAL  54          HG13      VAL  54   4.199  -1.923  -0.734
  406   2HG1  VAL  54          HG12      VAL  54   5.751  -1.419  -1.393
  407   3HG1  VAL  54          HG11      VAL  54   4.551  -0.214  -0.937
  408   1HG2  VAL  54          HG23      VAL  54   5.937  -0.907  -3.832
  409   2HG2  VAL  54          HG22      VAL  54   4.500  -0.323  -4.654
  410   3HG2  VAL  54          HG21      VAL  54   5.146   0.555  -3.277
  411    H    THR  55           HN       THR  55   5.938  -2.759  -4.905
  412    HA   THR  55           HA       THR  55   7.898  -3.942  -3.014
  413    HB   THR  55           HB       THR  55   7.241  -5.222  -5.704
  414    HG1  THR  55           HG1      THR  55   6.114  -6.574  -4.463
  415   1HG2  THR  55          HG21      THR  55   9.464  -5.489  -3.763
  416   2HG2  THR  55          HG23      THR  55   8.646  -7.005  -4.134
  417   3HG2  THR  55          HG22      THR  55   9.368  -6.054  -5.425
  418    H    GLU  56           HN       GLU  56   9.679  -2.715  -3.171
  419    HA   GLU  56           HA       GLU  56  10.123  -0.881  -5.349
  420   1HB   GLU  56           HB2      GLU  56  11.156  -1.225  -2.787
  421   2HB   GLU  56           HB1      GLU  56  12.528  -1.544  -3.837
  422   1HG   GLU  56           HG2      GLU  56  10.744   0.915  -3.938
  423   2HG   GLU  56           HG1      GLU  56  12.397   0.863  -3.329
   
  Start of MODEL           8
 Raw file had 423 H/Q atoms
  Entry Start of MODEL    8
    1   1H    MET   1           HT3      MET   1 -13.501  -1.138   5.797
    2   2H    MET   1           HT2      MET   1 -15.095  -0.757   5.353
    3   3H    MET   1           HT1      MET   1 -14.286  -2.042   4.593
    4    HA   MET   1           HA       MET   1 -13.725  -0.628   3.000
    5   1HB   MET   1           HB2      MET   1 -14.558   1.524   4.957
    6   2HB   MET   1           HB1      MET   1 -13.993   1.866   3.325
    7   1HG   MET   1           HG2      MET   1 -15.777   0.538   2.373
    8   2HG   MET   1           HG1      MET   1 -16.277  -0.008   3.952
    9   1HE   MET   1           HE3      MET   1 -15.801   2.855   1.586
   10   2HE   MET   1           HE2      MET   1 -17.323   2.113   1.093
   11   3HE   MET   1           HE1      MET   1 -17.306   3.767   1.707
   12    H    THR   2           HN       THR   2 -11.763  -1.749   4.450
   13    HA   THR   2           HA       THR   2  -9.670   0.354   4.368
   14    HB   THR   2           HB       THR   2  -9.990  -1.531   6.742
   15    HG1  THR   2           HG1      THR   2 -10.198   1.273   6.720
   16   1HG2  THR   2          HG23      THR   2  -7.701  -0.236   5.838
   17   2HG2  THR   2          HG22      THR   2  -8.405   0.948   6.936
   18   3HG2  THR   2          HG21      THR   2  -8.008  -0.665   7.518
   19    OH   TYR   3           OH       TYR   3 -11.561   0.053  -1.283
   20    H    TYR   3           HN       TYR   3  -8.001  -0.372   3.189
   21    HA   TYR   3           HA       TYR   3  -7.799  -3.301   2.709
   22   1HB   TYR   3           HB2      TYR   3  -6.151  -1.172   1.347
   23   2HB   TYR   3           HB1      TYR   3  -6.532  -2.787   0.773
   24    HD1  TYR   3           HD1      TYR   3  -7.894   0.604   1.315
   25    HD2  TYR   3           HD2      TYR   3  -8.691  -3.273  -0.221
   26    HE1  TYR   3           HE1      TYR   3  -9.903   1.456   0.192
   27    HE2  TYR   3           HE2      TYR   3 -10.695  -2.426  -1.343
   28    HH   TYR   3           HH       TYR   3 -12.267   0.100  -0.634
   29    H    LYS   4           HN       LYS   4  -5.451  -4.092   2.479
   30    HA   LYS   4           HA       LYS   4  -3.862  -3.052   4.796
   31   1HB   LYS   4           HB2      LYS   4  -4.967  -5.286   5.154
   32   2HB   LYS   4           HB1      LYS   4  -4.019  -5.914   3.826
   33   1HG   LYS   4           HG2      LYS   4  -2.012  -5.794   4.996
   34   2HG   LYS   4           HG1      LYS   4  -2.574  -4.501   6.043
   35   1HD   LYS   4           HD2      LYS   4  -2.417  -6.652   7.269
   36   2HD   LYS   4           HD1      LYS   4  -4.075  -6.068   7.207
   37   1HE   LYS   4           HE2      LYS   4  -3.218  -7.808   4.952
   38   2HE   LYS   4           HE1      LYS   4  -3.378  -8.596   6.515
   39   1HZ   LYS   4           HZ1      LYS   4  -5.566  -6.858   6.014
   40   2HZ   LYS   4           HZ3      LYS   4  -5.396  -7.993   4.761
   41   3HZ   LYS   4           HZ2      LYS   4  -5.567  -8.519   6.368
   42    H    LEU   5           HN       LEU   5  -2.061  -2.114   4.071
   43    HA   LEU   5           HA       LEU   5  -0.954  -2.838   1.459
   44   1HB   LEU   5           HB2      LEU   5  -0.911  -0.500   2.053
   45   2HB   LEU   5           HB1      LEU   5  -0.150  -0.838   3.596
   46    HG   LEU   5           HG       LEU   5   1.907  -1.648   2.310
   47   1HD1  LEU   5          HD13      LEU   5   0.346  -0.460  -0.006
   48   2HD1  LEU   5          HD12      LEU   5   2.045  -0.898  -0.069
   49   3HD1  LEU   5          HD11      LEU   5   0.828  -2.145   0.156
   50   1HD2  LEU   5          HD23      LEU   5   1.528   0.724   3.227
   51   2HD2  LEU   5          HD22      LEU   5   2.756   0.539   1.978
   52   3HD2  LEU   5          HD21      LEU   5   1.171   1.177   1.565
   53    H    ILE   6           HN       ILE   6   1.161  -3.633   1.128
   54    HA   ILE   6           HA       ILE   6   2.566  -4.764   3.453
   55    HB   ILE   6           HB       ILE   6   2.021  -6.347   0.930
   56   1HG1  ILE   6          HG12      ILE   6   0.689  -6.337   3.655
   57   2HG1  ILE   6          HG11      ILE   6  -0.079  -6.154   2.083
   58   1HG2  ILE   6          HG21      ILE   6   4.135  -6.783   2.350
   59   2HG2  ILE   6          HG23      ILE   6   3.036  -7.327   3.611
   60   3HG2  ILE   6          HG22      ILE   6   3.085  -8.165   2.064
   61   1HD1  ILE   6           HD3      ILE   6   0.822  -8.518   1.559
   62   2HD1  ILE   6           HD2      ILE   6   1.131  -8.653   3.287
   63   3HD1  ILE   6           HD1      ILE   6  -0.510  -8.413   2.704
   64    H    LEU   7           HN       LEU   7   4.383  -3.579   3.345
   65    HA   LEU   7           HA       LEU   7   5.521  -2.748   0.796
   66   1HB   LEU   7           HB2      LEU   7   6.559  -2.488   3.617
   67   2HB   LEU   7           HB1      LEU   7   7.300  -1.742   2.209
   68    HG   LEU   7           HG       LEU   7   4.435  -1.209   2.310
   69   1HD1  LEU   7          HD13      LEU   7   6.158  -0.430   4.683
   70   2HD1  LEU   7          HD12      LEU   7   4.645   0.377   4.284
   71   3HD1  LEU   7          HD11      LEU   7   4.646  -1.330   4.716
   72   1HD2  LEU   7          HD22      LEU   7   6.902   0.563   2.403
   73   2HD2  LEU   7          HD21      LEU   7   6.078   0.032   0.941
   74   3HD2  LEU   7          HD23      LEU   7   5.265   1.116   2.065
   75    H    ASN   8           HN       ASN   8   6.761  -3.950  -0.434
   76    HA   ASN   8           HA       ASN   8   8.303  -6.170   0.826
   77   1HB   ASN   8           HB2      ASN   8   6.735  -5.895  -1.596
   78   2HB   ASN   8           HB1      ASN   8   8.359  -6.422  -1.983
   79   1HD2  ASN   8          HD22      ASN   8   5.876  -9.152  -0.784
   80   2HD2  ASN   8          HD21      ASN   8   5.515  -7.738  -1.641
   81    H    GLY   9           HN       GLY   9   9.225  -3.507   1.014
   82   1HA   GLY   9           HA2      GLY   9  10.980  -2.592  -0.951
   83   2HA   GLY   9           HA1      GLY   9  11.285  -2.385   0.767
   84    H    LYS  10           HN       LYS  10  12.999  -3.112  -1.635
   85    HA   LYS  10           HA       LYS  10  13.879  -5.815  -1.376
   86   1HB   LYS  10           HB2      LYS  10  15.914  -5.050  -2.544
   87   2HB   LYS  10           HB1      LYS  10  14.468  -4.397  -3.303
   88   1HG   LYS  10           HG2      LYS  10  14.786  -2.334  -1.824
   89   2HG   LYS  10           HG1      LYS  10  16.375  -2.977  -1.428
   90   1HD   LYS  10           HD2      LYS  10  16.273  -3.197  -4.198
   91   2HD   LYS  10           HD1      LYS  10  15.459  -1.669  -3.886
   92   1HE   LYS  10           HE2      LYS  10  17.790  -1.142  -4.067
   93   2HE   LYS  10           HE1      LYS  10  17.417  -1.088  -2.349
   94   1HZ   LYS  10           HZ2      LYS  10  18.172  -3.702  -3.206
   95   2HZ   LYS  10           HZ1      LYS  10  19.383  -2.557  -3.527
   96   3HZ   LYS  10           HZ3      LYS  10  18.798  -2.753  -1.945
   97    H    THR  11           HN       THR  11  14.851  -2.835   0.226
   98    HA   THR  11           HA       THR  11  16.648  -4.413   2.012
   99    HB   THR  11           HB       THR  11  17.306  -1.879   2.625
  100    HG1  THR  11           HG1      THR  11  17.030  -0.759   0.548
  101   1HG2  THR  11          HG21      THR  11  18.081  -3.519   0.208
  102   2HG2  THR  11          HG23      THR  11  18.750  -1.905   0.428
  103   3HG2  THR  11          HG22      THR  11  19.052  -3.155   1.632
  104    H    LEU  12           HN       LEU  12  13.552  -3.385   1.925
  105    HA   LEU  12           HA       LEU  12  13.382  -3.395   4.875
  106   1HB   LEU  12           HB2      LEU  12  13.767  -0.981   3.995
  107   2HB   LEU  12           HB1      LEU  12  12.105  -1.085   3.424
  108    HG   LEU  12           HG       LEU  12  11.824  -2.030   5.974
  109   1HD1  LEU  12          HD12      LEU  12  14.239  -1.542   6.427
  110   2HD1  LEU  12          HD11      LEU  12  13.928   0.156   6.078
  111   3HD1  LEU  12          HD13      LEU  12  13.158  -0.614   7.461
  112   1HD2  LEU  12          HD21      LEU  12  11.673   0.756   4.822
  113   2HD2  LEU  12          HD23      LEU  12  10.353  -0.358   5.162
  114   3HD2  LEU  12          HD22      LEU  12  11.200   0.435   6.487
  115    H    LYS  13           HN       LYS  13  11.215  -3.686   5.655
  116    HA   LYS  13           HA       LYS  13   9.108  -4.176   3.638
  117   1HB   LYS  13           HB2      LYS  13  10.172  -6.299   5.515
  118   2HB   LYS  13           HB1      LYS  13   8.648  -6.441   4.652
  119   1HG   LYS  13           HG2      LYS  13   9.954  -6.038   2.504
  120   2HG   LYS  13           HG1      LYS  13  11.425  -6.200   3.456
  121   1HD   LYS  13           HD2      LYS  13  10.789  -8.460   4.132
  122   2HD   LYS  13           HD1      LYS  13   9.236  -8.300   3.320
  123   1HE   LYS  13           HE2      LYS  13  11.072  -9.548   2.027
  124   2HE   LYS  13           HE1      LYS  13  10.253  -8.253   1.163
  125   1HZ   LYS  13           HZ3      LYS  13  12.658  -7.589   2.686
  126   2HZ   LYS  13           HZ2      LYS  13  12.845  -8.421   1.218
  127   3HZ   LYS  13           HZ1      LYS  13  12.065  -6.914   1.245
  128    H    GLY  14           HN       GLY  14   7.015  -4.076   4.501
  129   1HA   GLY  14           HA2      GLY  14   6.531  -3.953   7.362
  130   2HA   GLY  14           HA1      GLY  14   6.513  -2.352   6.630
  131    H    GLU  15           HN       GLU  15   4.222  -2.522   7.477
  132    HA   GLU  15           HA       GLU  15   2.409  -2.946   5.300
  133   1HB   GLU  15           HB2      GLU  15   1.117  -4.848   6.258
  134   2HB   GLU  15           HB1      GLU  15   2.742  -5.321   5.786
  135   1HG   GLU  15           HG2      GLU  15   3.438  -4.854   8.209
  136   2HG   GLU  15           HG1      GLU  15   1.718  -4.751   8.579
  137    H    THR  16           HN       THR  16   0.429  -2.017   5.715
  138    HA   THR  16           HA       THR  16  -0.467  -1.488   8.448
  139    HB   THR  16           HB       THR  16   1.217   0.340   8.162
  140    HG1  THR  16           HG1      THR  16  -1.399   1.363   7.830
  141   1HG2  THR  16          HG22      THR  16   0.249   0.420   5.518
  142   2HG2  THR  16          HG21      THR  16  -0.425   1.856   6.278
  143   3HG2  THR  16          HG23      THR  16   1.318   1.604   6.258
  144    H    THR  17           HN       THR  17  -2.626  -0.736   8.518
  145    HA   THR  17           HA       THR  17  -4.050  -1.004   5.905
  146    HB   THR  17           HB       THR  17  -5.924  -1.854   7.112
  147    HG1  THR  17           HG1      THR  17  -6.154  -1.297   9.283
  148   1HG2  THR  17          HG22      THR  17  -3.493  -3.060   7.632
  149   2HG2  THR  17          HG21      THR  17  -4.053  -2.678   9.256
  150   3HG2  THR  17          HG23      THR  17  -5.038  -3.684   8.197
  151    H    THR  18           HN       THR  18  -5.231   0.633   5.099
  152    HA   THR  18           HA       THR  18  -5.679   3.032   6.842
  153    HB   THR  18           HB       THR  18  -3.799   3.214   5.002
  154    HG1  THR  18           HG1      THR  18  -5.388   5.281   4.520
  155   1HG2  THR  18          HG22      THR  18  -5.640   2.342   3.258
  156   2HG2  THR  18          HG21      THR  18  -6.147   4.027   3.307
  157   3HG2  THR  18          HG23      THR  18  -4.512   3.612   2.800
  158    H    GLU  19           HN       GLU  19  -7.560   4.231   6.422
  159    HA   GLU  19           HA       GLU  19  -9.724   2.647   5.195
  160   1HB   GLU  19           HB2      GLU  19  -9.579   5.098   6.917
  161   2HB   GLU  19           HB1      GLU  19 -11.051   4.772   6.008
  162   1HG   GLU  19           HG2      GLU  19 -11.358   2.652   7.084
  163   2HG   GLU  19           HG1      GLU  19  -9.735   2.686   7.768
  164    H    ALA  20           HN       ALA  20 -10.491   2.982   3.201
  165    HA   ALA  20           HA       ALA  20 -10.095   5.643   1.922
  166   1HB   ALA  20           HB1      ALA  20  -8.724   3.191   1.216
  167   2HB   ALA  20           HB3      ALA  20  -9.700   3.770  -0.131
  168   3HB   ALA  20           HB2      ALA  20  -8.480   4.816   0.588
  169    H    VAL  21           HN       VAL  21 -11.734   6.236   0.543
  170    HA   VAL  21           HA       VAL  21 -14.155   4.555   0.632
  171    HB   VAL  21           HB       VAL  21 -14.223   7.038   1.023
  172   1HG1  VAL  21          HG12      VAL  21 -12.499   7.429  -0.865
  173   2HG1  VAL  21          HG11      VAL  21 -13.857   7.261  -1.972
  174   3HG1  VAL  21          HG13      VAL  21 -13.852   8.553  -0.776
  175   1HG2  VAL  21          HG21      VAL  21 -16.228   5.752   0.294
  176   2HG2  VAL  21          HG23      VAL  21 -16.237   7.388  -0.357
  177   3HG2  VAL  21          HG22      VAL  21 -15.782   6.034  -1.386
  178    H    ASP  22           HN       ASP  22 -11.647   5.410  -1.587
  179    HA   ASP  22           HA       ASP  22 -12.906   3.647  -3.622
  180   1HB   ASP  22           HB2      ASP  22 -12.042   5.397  -5.355
  181   2HB   ASP  22           HB1      ASP  22 -13.562   5.714  -4.522
  182    H    ALA  23           HN       ALA  23 -11.470   2.304  -4.552
  183    HA   ALA  23           HA       ALA  23  -8.919   1.819  -3.593
  184   1HB   ALA  23           HB1      ALA  23 -10.320   1.233  -6.131
  185   2HB   ALA  23           HB3      ALA  23  -8.564   1.116  -6.194
  186   3HB   ALA  23           HB2      ALA  23  -9.470   0.143  -5.039
  187    H    ALA  24           HN       ALA  24  -9.910   4.363  -5.714
  188    HA   ALA  24           HA       ALA  24  -7.361   5.003  -6.859
  189   1HB   ALA  24           HB1      ALA  24  -9.819   6.673  -6.308
  190   2HB   ALA  24           HB3      ALA  24  -8.403   7.311  -7.138
  191   3HB   ALA  24           HB2      ALA  24  -9.311   5.977  -7.844
  192    H    THR  25           HN       THR  25  -9.071   6.701  -4.227
  193    HA   THR  25           HA       THR  25  -6.855   8.269  -3.413
  194    HB   THR  25           HB       THR  25  -9.342   8.472  -2.662
  195    HG1  THR  25           HG1      THR  25  -7.366   9.579  -1.904
  196   1HG2  THR  25          HG23      THR  25  -9.009   6.011  -1.557
  197   2HG2  THR  25          HG22      THR  25  -8.432   7.006  -0.224
  198   3HG2  THR  25          HG21      THR  25 -10.066   7.221  -0.839
  199    H    ALA  26           HN       ALA  26  -7.475   4.920  -2.976
  200    HA   ALA  26           HA       ALA  26  -5.812   4.571  -0.615
  201   1HB   ALA  26           HB3      ALA  26  -7.583   2.946  -1.291
  202   2HB   ALA  26           HB2      ALA  26  -6.611   2.518  -2.696
  203   3HB   ALA  26           HB1      ALA  26  -6.011   2.183  -1.074
  204    H    GLU  27           HN       GLU  27  -5.332   4.319  -4.098
  205    HA   GLU  27           HA       GLU  27  -2.685   3.258  -4.034
  206   1HB   GLU  27           HB2      GLU  27  -4.139   4.982  -6.049
  207   2HB   GLU  27           HB1      GLU  27  -2.525   4.348  -6.329
  208   1HG   GLU  27           HG2      GLU  27  -3.444   2.032  -5.872
  209   2HG   GLU  27           HG1      GLU  27  -5.052   2.747  -5.839
  210    H    LYS  28           HN       LYS  28  -3.935   6.535  -3.816
  211    HA   LYS  28           HA       LYS  28  -1.232   7.698  -3.855
  212   1HB   LYS  28           HB2      LYS  28  -3.494   9.374  -2.962
  213   2HB   LYS  28           HB1      LYS  28  -2.276   9.694  -4.190
  214   1HG   LYS  28           HG2      LYS  28  -3.463   7.948  -5.636
  215   2HG   LYS  28           HG1      LYS  28  -4.771   7.997  -4.459
  216   1HD   LYS  28           HD2      LYS  28  -5.035  10.418  -4.824
  217   2HD   LYS  28           HD1      LYS  28  -3.693  10.405  -5.964
  218   1HE   LYS  28           HE2      LYS  28  -4.978   9.553  -7.636
  219   2HE   LYS  28           HE1      LYS  28  -5.750   8.390  -6.566
  220   1HZ   LYS  28           HZ3      LYS  28  -6.515  11.116  -6.066
  221   2HZ   LYS  28           HZ2      LYS  28  -6.941  10.562  -7.614
  222   3HZ   LYS  28           HZ1      LYS  28  -7.479   9.728  -6.235
  223    H    VAL  29           HN       VAL  29  -3.854   7.256  -1.510
  224    HA   VAL  29           HA       VAL  29  -2.666   8.539   0.704
  225    HB   VAL  29           HB       VAL  29  -4.485   6.132   0.547
  226   1HG1  VAL  29          HG12      VAL  29  -3.241   7.530   2.901
  227   2HG1  VAL  29          HG11      VAL  29  -4.876   6.894   3.045
  228   3HG1  VAL  29          HG13      VAL  29  -3.540   5.811   2.667
  229   1HG2  VAL  29          HG23      VAL  29  -5.036   8.694  -0.048
  230   2HG2  VAL  29          HG22      VAL  29  -6.209   7.660   0.760
  231   3HG2  VAL  29          HG21      VAL  29  -5.234   8.785   1.699
  232    H    PHE  30           HN       PHE  30  -2.503   5.078  -0.128
  233    HA   PHE  30           HA       PHE  30  -0.612   4.417   1.906
  234   1HB   PHE  30           HB2      PHE  30  -1.534   3.130  -0.632
  235   2HB   PHE  30           HB1      PHE  30  -0.069   2.515   0.117
  236    HD1  PHE  30           HD1      PHE  30  -0.373   2.349   2.874
  237    HD2  PHE  30           HD2      PHE  30  -3.474   1.974  -0.030
  238    HE1  PHE  30           HE1      PHE  30  -1.750   1.106   4.489
  239    HE2  PHE  30           HE2      PHE  30  -4.819   0.712   1.585
  240    HZ   PHE  30           HZ       PHE  30  -3.952   0.244   3.833
  241    H    LYS  31           HN       LYS  31  -0.173   5.322  -1.498
  242    HA   LYS  31           HA       LYS  31   2.617   4.971  -1.679
  243   1HB   LYS  31           HB2      LYS  31   1.203   5.573  -3.602
  244   2HB   LYS  31           HB1      LYS  31   0.960   7.179  -2.918
  245   1HG   LYS  31           HG2      LYS  31   3.289   7.730  -3.144
  246   2HG   LYS  31           HG1      LYS  31   3.721   6.062  -3.482
  247   1HD   LYS  31           HD2      LYS  31   3.732   7.146  -5.609
  248   2HD   LYS  31           HD1      LYS  31   2.224   6.247  -5.568
  249   1HE   LYS  31           HE2      LYS  31   1.956   8.604  -6.395
  250   2HE   LYS  31           HE1      LYS  31   0.978   8.255  -4.979
  251   1HZ   LYS  31           HZ1      LYS  31   3.672   9.386  -4.654
  252   2HZ   LYS  31           HZ3      LYS  31   2.373  10.400  -5.067
  253   3HZ   LYS  31           HZ2      LYS  31   2.326   9.503  -3.626
  254    H    GLN  32           HN       GLN  32   0.782   7.643  -0.295
  255    HA   GLN  32           HA       GLN  32   2.983   9.407   0.141
  256   1HB   GLN  32           HB2      GLN  32   0.685  10.177   0.416
  257   2HB   GLN  32           HB1      GLN  32   0.433   9.044   1.739
  258   1HG   GLN  32           HG2      GLN  32   1.866  10.231   3.191
  259   2HG   GLN  32           HG1      GLN  32   2.674  11.062   1.864
  260   1HE2  GLN  32          HE22      GLN  32   0.481  13.662   3.145
  261   2HE2  GLN  32          HE21      GLN  32   1.981  12.938   3.474
  262    OH   TYR  33           OH       TYR  33   4.976   2.524   8.248
  263    H    TYR  33           HN       TYR  33   1.672   6.741   2.038
  264    HA   TYR  33           HA       TYR  33   3.305   7.105   4.355
  265   1HB   TYR  33           HB2      TYR  33   1.364   5.592   4.349
  266   2HB   TYR  33           HB1      TYR  33   2.177   4.547   3.190
  267    HD1  TYR  33           HD1      TYR  33   4.324   3.406   3.857
  268    HD2  TYR  33           HD2      TYR  33   1.898   5.454   6.685
  269    HE1  TYR  33           HE1      TYR  33   5.468   2.240   5.679
  270    HE2  TYR  33           HE2      TYR  33   3.043   4.285   8.513
  271    HH   TYR  33           HH       TYR  33   4.310   2.210   8.863
  272    H    ALA  34           HN       ALA  34   3.726   4.789   1.690
  273    HA   ALA  34           HA       ALA  34   6.262   3.817   2.342
  274   1HB   ALA  34           HB3      ALA  34   4.615   3.949  -0.035
  275   2HB   ALA  34           HB2      ALA  34   6.315   4.145  -0.450
  276   3HB   ALA  34           HB1      ALA  34   5.783   2.719   0.434
  277    H    ASN  35           HN       ASN  35   5.393   6.904   0.967
  278    HA   ASN  35           HA       ASN  35   7.985   7.706   0.064
  279   1HB   ASN  35           HB2      ASN  35   5.582   8.811  -0.193
  280   2HB   ASN  35           HB1      ASN  35   6.108   9.728   1.216
  281   1HD2  ASN  35          HD22      ASN  35   8.142  11.837  -0.709
  282   2HD2  ASN  35          HD21      ASN  35   7.266  11.580   0.722
  283    H    ASP  36           HN       ASP  36   6.448   7.791   3.215
  284    HA   ASP  36           HA       ASP  36   8.553   9.401   4.433
  285   1HB   ASP  36           HB2      ASP  36   6.216   7.828   5.507
  286   2HB   ASP  36           HB1      ASP  36   7.402   8.557   6.587
  287    H    ASN  37           HN       ASN  37   9.089   6.724   3.045
  288    HA   ASN  37           HA       ASN  37  10.862   5.674   5.193
  289   1HB   ASN  37           HB2      ASN  37   9.016   3.997   3.477
  290   2HB   ASN  37           HB1      ASN  37  10.278   3.342   4.518
  291   1HD2  ASN  37          HD22      ASN  37   6.819   4.769   6.157
  292   2HD2  ASN  37          HD21      ASN  37   7.154   5.013   4.512
  293    H    GLY  38           HN       GLY  38   9.997   5.623   1.772
  294   1HA   GLY  38           HA2      GLY  38  11.804   6.260   0.160
  295   2HA   GLY  38           HA1      GLY  38  12.904   5.281   1.123
  296    H    VAL  39           HN       VAL  39   9.607   4.558   0.057
  297    HA   VAL  39           HA       VAL  39  10.698   2.238  -1.500
  298    HB   VAL  39           HB       VAL  39   8.046   2.329  -0.043
  299   1HG1  VAL  39          HG12      VAL  39   8.250   0.784  -2.005
  300   2HG1  VAL  39          HG11      VAL  39   9.639   0.030  -1.230
  301   3HG1  VAL  39          HG13      VAL  39   8.048  -0.081  -0.485
  302   1HG2  VAL  39          HG21      VAL  39  10.793   1.675   0.859
  303   2HG2  VAL  39          HG23      VAL  39   9.386   2.148   1.805
  304   3HG2  VAL  39          HG22      VAL  39   9.567   0.480   1.269
  305    H    ASP  40           HN       ASP  40  10.559   2.973  -3.561
  306    HA   ASP  40           HA       ASP  40   7.836   3.624  -4.555
  307   1HB   ASP  40           HB2      ASP  40  10.254   5.290  -5.286
  308   2HB   ASP  40           HB1      ASP  40   8.578   5.590  -5.737
  309    H    GLY  41           HN       GLY  41   7.524   2.023  -5.980
  310   1HA   GLY  41           HA2      GLY  41   9.290   1.811  -8.299
  311   2HA   GLY  41           HA1      GLY  41   9.327   0.385  -7.265
  312    H    GLU  42           HN       GLU  42   7.741  -1.096  -7.479
  313    HA   GLU  42           HA       GLU  42   5.587  -0.502  -9.452
  314   1HB   GLU  42           HB2      GLU  42   6.364  -3.173  -8.291
  315   2HB   GLU  42           HB1      GLU  42   5.374  -2.883  -9.714
  316   1HG   GLU  42           HG2      GLU  42   7.252  -2.929 -10.971
  317   2HG   GLU  42           HG1      GLU  42   7.802  -1.478 -10.140
  318    CH2  TRP  43           CH2      TRP  43   2.188   2.421  -2.183
  319    H    TRP  43           HN       TRP  43   3.414  -0.906  -8.963
  320    HA   TRP  43           HA       TRP  43   2.807  -1.354  -6.063
  321   1HB   TRP  43           HB2      TRP  43   1.808   0.745  -7.958
  322   2HB   TRP  43           HB1      TRP  43   0.813   0.243  -6.601
  323    HD1  TRP  43           HD1      TRP  43   4.401   1.494  -7.317
  324    HE1  TRP  43           HE1      TRP  43   5.125   2.794  -5.256
  325    HE3  TRP  43           HE3      TRP  43   0.445   0.637  -4.426
  326    HZ2  TRP  43           HZ2      TRP  43   4.093   3.317  -2.519
  327    HZ3  TRP  43           HZ3      TRP  43   0.300   1.437  -2.123
  328    HH2  TRP  43           HH2      TRP  43   2.121   2.763  -1.161
  329    H    THR  44           HN       THR  44   1.192  -2.741  -5.607
  330    HA   THR  44           HA       THR  44  -0.423  -3.792  -7.909
  331    HB   THR  44           HB       THR  44  -0.335  -6.021  -6.524
  332    HG1  THR  44           HG1      THR  44   2.120  -5.232  -5.659
  333   1HG2  THR  44          HG21      THR  44   0.996  -5.520  -8.683
  334   2HG2  THR  44          HG23      THR  44   2.317  -5.036  -7.625
  335   3HG2  THR  44          HG22      THR  44   1.724  -6.692  -7.589
  336    OH   TYR  45           OH       TYR  45  -8.873  -1.298  -3.068
  337    H    TYR  45           HN       TYR  45  -2.385  -5.005  -7.136
  338    HA   TYR  45           HA       TYR  45  -3.541  -3.928  -4.610
  339   1HB   TYR  45           HB2      TYR  45  -4.076  -2.493  -6.707
  340   2HB   TYR  45           HB1      TYR  45  -5.085  -3.848  -7.214
  341    HD1  TYR  45           HD1      TYR  45  -6.583  -4.727  -4.891
  342    HD2  TYR  45           HD2      TYR  45  -5.352  -0.776  -5.846
  343    HE1  TYR  45           HE1      TYR  45  -8.339  -3.836  -3.457
  344    HE2  TYR  45           HE2      TYR  45  -7.156   0.117  -4.461
  345    HH   TYR  45           HH       TYR  45  -8.577  -1.327  -2.155
  346    H    ASP  46           HN       ASP  46  -4.544  -5.537  -3.541
  347    HA   ASP  46           HA       ASP  46  -5.280  -8.011  -5.062
  348   1HB   ASP  46           HB2      ASP  46  -3.559  -8.089  -3.144
  349   2HB   ASP  46           HB1      ASP  46  -4.934  -7.830  -2.075
  350    H    ASP  47           HN       ASP  47  -7.286  -6.795  -5.634
  351    HA   ASP  47           HA       ASP  47  -9.201  -6.050  -3.626
  352   1HB   ASP  47           HB2      ASP  47  -9.360  -5.206  -5.916
  353   2HB   ASP  47           HB1      ASP  47  -9.615  -6.840  -6.521
  354    H    ALA  48           HN       ALA  48  -7.966  -8.990  -4.089
  355    HA   ALA  48           HA       ALA  48 -10.449 -10.562  -4.054
  356   1HB   ALA  48           HB1      ALA  48  -7.957 -11.145  -4.919
  357   2HB   ALA  48           HB3      ALA  48  -7.875 -11.832  -3.299
  358   3HB   ALA  48           HB2      ALA  48  -9.112 -12.380  -4.426
  359    H    THR  49           HN       THR  49  -7.992  -9.493  -1.774
  360    HA   THR  49           HA       THR  49  -9.747 -10.453   0.455
  361    HB   THR  49           HB       THR  49  -7.629 -11.008   1.731
  362    HG1  THR  49           HG1      THR  49  -6.089  -9.863   0.737
  363   1HG2  THR  49          HG22      THR  49  -7.879 -12.334  -0.999
  364   2HG2  THR  49          HG21      THR  49  -6.954 -12.981   0.352
  365   3HG2  THR  49          HG23      THR  49  -8.707 -12.860   0.463
  366    H    LYS  50           HN       LYS  50  -8.970  -7.817  -0.997
  367    HA   LYS  50           HA       LYS  50  -8.707  -5.580  -0.360
  368   1HB   LYS  50           HB2      LYS  50  -9.398  -6.485   2.434
  369   2HB   LYS  50           HB1      LYS  50  -9.711  -4.919   1.692
  370   1HG   LYS  50           HG2      LYS  50 -11.231  -6.047   0.054
  371   2HG   LYS  50           HG1      LYS  50 -10.980  -7.564   0.909
  372   1HD   LYS  50           HD2      LYS  50 -11.634  -5.809   2.953
  373   2HD   LYS  50           HD1      LYS  50 -12.668  -5.273   1.635
  374   1HE   LYS  50           HE2      LYS  50 -12.475  -8.074   2.780
  375   2HE   LYS  50           HE1      LYS  50 -13.862  -6.995   2.849
  376   1HZ   LYS  50           HZ3      LYS  50 -12.828  -7.598   0.202
  377   2HZ   LYS  50           HZ2      LYS  50 -13.585  -8.879   1.022
  378   3HZ   LYS  50           HZ1      LYS  50 -14.433  -7.435   0.736
  379    H    THR  51           HN       THR  51  -6.371  -6.440  -0.700
  380    HA   THR  51           HA       THR  51  -4.798  -5.537   1.665
  381    HB   THR  51           HB       THR  51  -4.344  -8.159   0.161
  382    HG1  THR  51           HG1      THR  51  -4.576  -8.723   2.524
  383   1HG2  THR  51          HG22      THR  51  -2.309  -6.628   1.247
  384   2HG2  THR  51          HG21      THR  51  -2.845  -7.546   2.645
  385   3HG2  THR  51          HG23      THR  51  -2.297  -8.382   1.200
  386    H    PHE  52           HN       PHE  52  -3.649  -3.825   0.872
  387    HA   PHE  52           HA       PHE  52  -3.011  -3.633  -1.966
  388   1HB   PHE  52           HB2      PHE  52  -3.039  -1.884   0.320
  389   2HB   PHE  52           HB1      PHE  52  -1.510  -1.744  -0.536
  390    HD1  PHE  52           HD1      PHE  52  -1.509  -1.159  -2.992
  391    HD2  PHE  52           HD2      PHE  52  -5.071  -1.171  -0.701
  392    HE1  PHE  52           HE1      PHE  52  -2.655   0.132  -4.748
  393    HE2  PHE  52           HE2      PHE  52  -6.172   0.233  -2.366
  394    HZ   PHE  52           HZ       PHE  52  -4.954   0.922  -4.377
  395    H    THR  53           HN       THR  53  -0.745  -3.415  -2.725
  396    HA   THR  53           HA       THR  53   1.347  -4.387  -0.908
  397    HB   THR  53           HB       THR  53   0.566  -6.029  -3.345
  398    HG1  THR  53           HG1      THR  53  -0.597  -7.039  -1.892
  399   1HG2  THR  53          HG23      THR  53   2.980  -5.883  -1.709
  400   2HG2  THR  53          HG22      THR  53   2.187  -7.443  -1.512
  401   3HG2  THR  53          HG21      THR  53   2.673  -6.898  -3.115
  402    H    VAL  54           HN       VAL  54   3.314  -3.663  -1.483
  403    HA   VAL  54           HA       VAL  54   3.696  -2.643  -4.260
  404    HB   VAL  54           HB       VAL  54   3.043  -0.749  -2.737
  405   1HG1  VAL  54          HG11      VAL  54   4.102  -1.792  -0.716
  406   2HG1  VAL  54          HG13      VAL  54   5.675  -1.348  -1.366
  407   3HG1  VAL  54          HG12      VAL  54   4.510  -0.100  -0.941
  408   1HG2  VAL  54          HG21      VAL  54   5.842  -0.811  -3.886
  409   2HG2  VAL  54          HG23      VAL  54   4.395  -0.119  -4.593
  410   3HG2  VAL  54          HG22      VAL  54   5.141   0.646  -3.201
  411    H    THR  55           HN       THR  55   5.885  -2.672  -4.918
  412    HA   THR  55           HA       THR  55   7.857  -3.861  -3.040
  413    HB   THR  55           HB       THR  55   7.201  -5.100  -5.749
  414    HG1  THR  55           HG1      THR  55   6.139  -6.533  -4.512
  415   1HG2  THR  55          HG21      THR  55   9.417  -5.408  -3.794
  416   2HG2  THR  55          HG23      THR  55   8.618  -6.913  -4.242
  417   3HG2  THR  55          HG22      THR  55   9.349  -5.901  -5.481
  418    H    GLU  56           HN       GLU  56   9.598  -2.575  -3.171
  419    HA   GLU  56           HA       GLU  56  10.050  -0.717  -5.306
  420   1HB   GLU  56           HB2      GLU  56  11.122  -1.154  -2.776
  421   2HB   GLU  56           HB1      GLU  56  12.471  -1.472  -3.858
  422   1HG   GLU  56           HG2      GLU  56  10.732   1.023  -3.911
  423   2HG   GLU  56           HG1      GLU  56  12.361   0.929  -3.244
   
  Start of MODEL           9
 Raw file had 423 H/Q atoms
  Entry Start of MODEL    9
    1   1H    MET   1           HT3      MET   1 -13.148   1.859   2.693
    2   2H    MET   1           HT2      MET   1 -14.551   0.975   2.325
    3   3H    MET   1           HT1      MET   1 -14.387   1.711   3.846
    4    HA   MET   1           HA       MET   1 -13.669  -0.248   4.568
    5   1HB   MET   1           HB2      MET   1 -14.241  -0.936   1.949
    6   2HB   MET   1           HB1      MET   1 -12.550  -1.392   2.114
    7   1HG   MET   1           HG2      MET   1 -13.956  -3.251   2.781
    8   2HG   MET   1           HG1      MET   1 -13.080  -2.642   4.159
    9   1HE   MET   1           HE1      MET   1 -16.436  -2.811   2.286
   10   2HE   MET   1           HE3      MET   1 -16.037  -4.282   3.174
   11   3HE   MET   1           HE2      MET   1 -17.450  -3.332   3.632
   12    H    THR   2           HN       THR   2 -11.696  -0.994   5.351
   13    HA   THR   2           HA       THR   2  -9.365   0.676   4.554
   14    HB   THR   2           HB       THR   2  -9.713  -1.088   7.015
   15    HG1  THR   2           HG1      THR   2 -10.135   0.992   7.925
   16   1HG2  THR   2          HG21      THR   2  -7.391   0.070   5.970
   17   2HG2  THR   2          HG23      THR   2  -7.981   1.279   7.106
   18   3HG2  THR   2          HG22      THR   2  -7.640  -0.358   7.659
   19    OH   TYR   3           OH       TYR   3 -11.520   0.319  -0.960
   20    H    TYR   3           HN       TYR   3  -7.820  -0.189   3.308
   21    HA   TYR   3           HA       TYR   3  -7.770  -3.143   2.974
   22   1HB   TYR   3           HB2      TYR   3  -6.070  -1.179   1.439
   23   2HB   TYR   3           HB1      TYR   3  -6.590  -2.789   0.954
   24    HD1  TYR   3           HD1      TYR   3  -7.831   0.655   1.641
   25    HD2  TYR   3           HD2      TYR   3  -8.688  -3.109  -0.134
   26    HE1  TYR   3           HE1      TYR   3  -9.833   1.603   0.588
   27    HE2  TYR   3           HE2      TYR   3 -10.685  -2.163  -1.190
   28    HH   TYR   3           HH       TYR   3 -11.670   1.187  -0.580
   29    H    LYS   4           HN       LYS   4  -5.396  -3.966   2.581
   30    HA   LYS   4           HA       LYS   4  -3.727  -2.985   4.867
   31   1HB   LYS   4           HB2      LYS   4  -4.868  -5.257   5.140
   32   2HB   LYS   4           HB1      LYS   4  -3.849  -5.829   3.845
   33   1HG   LYS   4           HG2      LYS   4  -1.983  -5.906   5.155
   34   2HG   LYS   4           HG1      LYS   4  -2.378  -4.414   5.991
   35   1HD   LYS   4           HD2      LYS   4  -4.022  -5.578   7.378
   36   2HD   LYS   4           HD1      LYS   4  -3.757  -7.070   6.483
   37   1HE   LYS   4           HE2      LYS   4  -1.564  -7.334   7.342
   38   2HE   LYS   4           HE1      LYS   4  -1.465  -5.650   7.844
   39   1HZ   LYS   4           HZ1      LYS   4  -3.224  -6.126   9.479
   40   2HZ   LYS   4           HZ3      LYS   4  -3.156  -7.766   9.049
   41   3HZ   LYS   4           HZ2      LYS   4  -1.803  -7.017   9.750
   42    H    LEU   5           HN       LEU   5  -1.885  -2.092   4.121
   43    HA   LEU   5           HA       LEU   5  -0.917  -2.781   1.443
   44   1HB   LEU   5           HB2      LEU   5  -0.759  -0.460   2.102
   45   2HB   LEU   5           HB1      LEU   5   0.075  -0.871   3.593
   46    HG   LEU   5           HG       LEU   5   2.022  -1.714   2.189
   47   1HD1  LEU   5          HD13      LEU   5   0.373  -0.467  -0.032
   48   2HD1  LEU   5          HD12      LEU   5   2.064  -0.920  -0.187
   49   3HD1  LEU   5          HD11      LEU   5   0.846  -2.157   0.083
   50   1HD2  LEU   5          HD21      LEU   5   1.880   0.600   3.166
   51   2HD2  LEU   5          HD23      LEU   5   2.869   0.499   1.712
   52   3HD2  LEU   5          HD22      LEU   5   1.238   1.152   1.623
   53    H    ILE   6           HN       ILE   6   1.132  -3.673   0.997
   54    HA   ILE   6           HA       ILE   6   2.529  -4.999   3.234
   55    HB   ILE   6           HB       ILE   6   1.633  -6.179   0.615
   56   1HG1  ILE   6          HG12      ILE   6   1.595  -7.207   3.477
   57   2HG1  ILE   6          HG11      ILE   6   0.242  -6.394   2.706
   58   1HG2  ILE   6          HG22      ILE   6   3.993  -6.940   2.346
   59   2HG2  ILE   6          HG21      ILE   6   3.168  -8.149   1.371
   60   3HG2  ILE   6          HG23      ILE   6   3.933  -6.772   0.597
   61   1HD1  ILE   6           HD3      ILE   6   0.753  -8.309   0.839
   62   2HD1  ILE   6           HD2      ILE   6   1.274  -9.154   2.292
   63   3HD1  ILE   6           HD1      ILE   6  -0.369  -8.543   2.172
   64    H    LEU   7           HN       LEU   7   4.321  -3.754   3.327
   65    HA   LEU   7           HA       LEU   7   5.561  -2.689   0.914
   66   1HB   LEU   7           HB2      LEU   7   6.408  -2.662   3.809
   67   2HB   LEU   7           HB1      LEU   7   7.299  -1.854   2.525
   68    HG   LEU   7           HG       LEU   7   4.454  -1.226   2.404
   69   1HD1  LEU   7          HD13      LEU   7   5.974  -0.575   4.951
   70   2HD1  LEU   7          HD12      LEU   7   4.455   0.179   4.481
   71   3HD1  LEU   7          HD11      LEU   7   4.512  -1.546   4.828
   72   1HD2  LEU   7          HD23      LEU   7   6.950   0.451   2.841
   73   2HD2  LEU   7          HD22      LEU   7   6.260   0.036   1.275
   74   3HD2  LEU   7          HD21      LEU   7   5.369   1.076   2.382
   75    H    ASN   8           HN       ASN   8   6.711  -3.927  -0.394
   76    HA   ASN   8           HA       ASN   8   8.321  -6.144   0.788
   77   1HB   ASN   8           HB2      ASN   8   6.695  -5.845  -1.601
   78   2HB   ASN   8           HB1      ASN   8   8.312  -6.367  -2.019
   79   1HD2  ASN   8          HD22      ASN   8   5.867  -9.124  -0.833
   80   2HD2  ASN   8          HD21      ASN   8   5.500  -7.711  -1.688
   81    H    GLY   9           HN       GLY   9   9.220  -3.481   1.011
   82   1HA   GLY   9           HA2      GLY   9  10.930  -2.574  -1.027
   83   2HA   GLY   9           HA1      GLY   9  11.218  -2.270   0.674
   84    H    LYS  10           HN       LYS  10  13.096  -2.910  -1.505
   85    HA   LYS  10           HA       LYS  10  14.004  -5.596  -1.381
   86   1HB   LYS  10           HB2      LYS  10  14.761  -3.832  -3.025
   87   2HB   LYS  10           HB1      LYS  10  15.739  -3.142  -1.736
   88   1HG   LYS  10           HG2      LYS  10  17.152  -4.629  -3.046
   89   2HG   LYS  10           HG1      LYS  10  16.882  -5.365  -1.473
   90   1HD   LYS  10           HD2      LYS  10  15.701  -7.109  -2.357
   91   2HD   LYS  10           HD1      LYS  10  14.855  -6.084  -3.508
   92   1HE   LYS  10           HE2      LYS  10  16.843  -6.012  -4.947
   93   2HE   LYS  10           HE1      LYS  10  17.747  -6.963  -3.776
   94   1HZ   LYS  10           HZ1      LYS  10  15.979  -8.703  -4.077
   95   2HZ   LYS  10           HZ3      LYS  10  15.442  -7.812  -5.420
   96   3HZ   LYS  10           HZ2      LYS  10  17.013  -8.456  -5.402
   97    H    THR  11           HN       THR  11  15.398  -2.782   0.290
   98    HA   THR  11           HA       THR  11  16.644  -4.623   2.235
   99    HB   THR  11           HB       THR  11  17.923  -2.603   2.924
  100    HG1  THR  11           HG1      THR  11  16.382  -1.365   0.890
  101   1HG2  THR  11          HG23      THR  11  18.460  -3.885   0.683
  102   2HG2  THR  11          HG22      THR  11  17.758  -2.464  -0.083
  103   3HG2  THR  11          HG21      THR  11  19.183  -2.301   0.939
  104    H    LEU  12           HN       LEU  12  13.686  -3.450   2.012
  105    HA   LEU  12           HA       LEU  12  13.386  -3.304   4.948
  106   1HB   LEU  12           HB2      LEU  12  13.868  -0.955   4.085
  107   2HB   LEU  12           HB1      LEU  12  12.316  -1.041   3.260
  108    HG   LEU  12           HG       LEU  12  11.584  -1.878   5.743
  109   1HD1  LEU  12          HD13      LEU  12  13.893  -1.511   6.607
  110   2HD1  LEU  12          HD12      LEU  12  13.779   0.185   6.143
  111   3HD1  LEU  12          HD11      LEU  12  12.724  -0.458   7.398
  112   1HD2  LEU  12          HD22      LEU  12  11.766   0.874   4.514
  113   2HD2  LEU  12          HD21      LEU  12  10.349  -0.156   4.689
  114   3HD2  LEU  12          HD23      LEU  12  11.034   0.644   6.099
  115    H    LYS  13           HN       LYS  13  11.446  -4.078   5.620
  116    HA   LYS  13           HA       LYS  13   9.262  -4.363   3.602
  117   1HB   LYS  13           HB2      LYS  13  10.365  -6.534   5.402
  118   2HB   LYS  13           HB1      LYS  13   8.815  -6.659   4.585
  119   1HG   LYS  13           HG2      LYS  13   9.825  -7.252   2.654
  120   2HG   LYS  13           HG1      LYS  13  10.844  -5.822   2.701
  121   1HD   LYS  13           HD2      LYS  13  12.370  -6.992   4.292
  122   2HD   LYS  13           HD1      LYS  13  11.377  -8.437   4.143
  123   1HE   LYS  13           HE2      LYS  13  11.832  -7.779   1.504
  124   2HE   LYS  13           HE1      LYS  13  13.351  -7.316   2.263
  125   1HZ   LYS  13           HZ2      LYS  13  12.357  -9.849   3.170
  126   2HZ   LYS  13           HZ1      LYS  13  12.672  -9.818   1.500
  127   3HZ   LYS  13           HZ3      LYS  13  13.902  -9.425   2.605
  128    H    GLY  14           HN       GLY  14   7.172  -4.287   4.459
  129   1HA   GLY  14           HA2      GLY  14   6.725  -4.221   7.341
  130   2HA   GLY  14           HA1      GLY  14   6.628  -2.626   6.603
  131    H    GLU  15           HN       GLU  15   4.368  -2.863   7.481
  132    HA   GLU  15           HA       GLU  15   2.531  -3.367   5.354
  133   1HB   GLU  15           HB2      GLU  15   1.320  -5.294   6.547
  134   2HB   GLU  15           HB1      GLU  15   2.807  -5.699   5.698
  135   1HG   GLU  15           HG2      GLU  15   4.064  -5.792   7.719
  136   2HG   GLU  15           HG1      GLU  15   2.815  -4.946   8.628
  137    H    THR  16           HN       THR  16   0.523  -2.508   5.821
  138    HA   THR  16           HA       THR  16  -0.317  -2.017   8.574
  139    HB   THR  16           HB       THR  16   1.426  -0.161   7.984
  140    HG1  THR  16           HG1      THR  16   0.296   0.726   9.536
  141   1HG2  THR  16          HG23      THR  16   0.094   0.195   5.693
  142   2HG2  THR  16          HG22      THR  16  -0.964   1.154   6.724
  143   3HG2  THR  16          HG21      THR  16   0.736   1.580   6.569
  144    H    THR  17           HN       THR  17  -2.205  -0.132   8.284
  145    HA   THR  17           HA       THR  17  -3.798  -0.864   5.873
  146    HB   THR  17           HB       THR  17  -5.694  -1.567   7.137
  147    HG1  THR  17           HG1      THR  17  -5.453   0.316   8.516
  148   1HG2  THR  17          HG21      THR  17  -3.613  -3.101   7.488
  149   2HG2  THR  17          HG23      THR  17  -3.482  -2.327   9.063
  150   3HG2  THR  17          HG22      THR  17  -4.924  -3.251   8.653
  151    H    THR  18           HN       THR  18  -5.108   0.744   5.107
  152    HA   THR  18           HA       THR  18  -5.265   3.267   6.712
  153    HB   THR  18           HB       THR  18  -3.508   3.244   4.743
  154    HG1  THR  18           HG1      THR  18  -4.133   5.112   5.783
  155   1HG2  THR  18          HG23      THR  18  -5.510   2.385   3.178
  156   2HG2  THR  18          HG22      THR  18  -5.921   4.096   3.164
  157   3HG2  THR  18          HG21      THR  18  -4.350   3.563   2.574
  158    H    GLU  19           HN       GLU  19  -7.124   4.503   6.412
  159    HA   GLU  19           HA       GLU  19  -9.439   2.996   5.400
  160   1HB   GLU  19           HB2      GLU  19  -9.330   5.771   6.609
  161   2HB   GLU  19           HB1      GLU  19 -10.770   4.783   6.386
  162   1HG   GLU  19           HG2      GLU  19  -9.706   3.033   7.867
  163   2HG   GLU  19           HG1      GLU  19  -8.409   4.179   8.197
  164    H    ALA  20           HN       ALA  20 -10.187   3.194   3.389
  165    HA   ALA  20           HA       ALA  20  -9.886   5.801   1.984
  166   1HB   ALA  20           HB3      ALA  20  -8.479   3.349   1.346
  167   2HB   ALA  20           HB2      ALA  20  -9.500   3.853   0.002
  168   3HB   ALA  20           HB1      ALA  20  -8.286   4.952   0.646
  169    H    VAL  21           HN       VAL  21 -11.636   6.350   0.790
  170    HA   VAL  21           HA       VAL  21 -14.019   4.684   1.013
  171    HB   VAL  21           HB       VAL  21 -13.952   7.237   1.070
  172   1HG1  VAL  21          HG12      VAL  21 -12.469   7.248  -1.056
  173   2HG1  VAL  21          HG11      VAL  21 -13.967   6.974  -1.942
  174   3HG1  VAL  21          HG13      VAL  21 -13.769   8.432  -0.974
  175   1HG2  VAL  21          HG22      VAL  21 -15.821   5.471  -0.416
  176   2HG2  VAL  21          HG21      VAL  21 -16.144   6.577   0.916
  177   3HG2  VAL  21          HG23      VAL  21 -15.999   7.196  -0.726
  178    H    ASP  22           HN       ASP  22 -11.592   5.296  -1.391
  179    HA   ASP  22           HA       ASP  22 -12.915   3.299  -3.162
  180   1HB   ASP  22           HB2      ASP  22 -12.484   4.671  -5.141
  181   2HB   ASP  22           HB1      ASP  22 -13.476   5.577  -4.001
  182    H    ALA  23           HN       ALA  23 -11.364   2.570  -4.913
  183    HA   ALA  23           HA       ALA  23  -8.868   1.789  -3.651
  184   1HB   ALA  23           HB1      ALA  23 -10.230   1.254  -6.248
  185   2HB   ALA  23           HB3      ALA  23  -8.495   0.972  -6.167
  186   3HB   ALA  23           HB2      ALA  23  -9.577   0.118  -5.072
  187    H    ALA  24           HN       ALA  24  -9.806   4.119  -6.107
  188    HA   ALA  24           HA       ALA  24  -7.240   4.776  -7.113
  189   1HB   ALA  24           HB2      ALA  24  -9.875   5.816  -7.310
  190   2HB   ALA  24           HB1      ALA  24  -8.821   7.159  -6.880
  191   3HB   ALA  24           HB3      ALA  24  -8.487   6.204  -8.321
  192    H    THR  25           HN       THR  25  -9.048   6.424  -4.521
  193    HA   THR  25           HA       THR  25  -6.892   8.130  -3.755
  194    HB   THR  25           HB       THR  25  -9.429   8.235  -3.061
  195    HG1  THR  25           HG1      THR  25  -7.131   8.681  -1.454
  196   1HG2  THR  25          HG23      THR  25  -9.049   5.913  -1.799
  197   2HG2  THR  25          HG22      THR  25  -8.342   6.954  -0.566
  198   3HG2  THR  25          HG21      THR  25 -10.021   7.173  -1.046
  199    H    ALA  26           HN       ALA  26  -7.644   4.817  -2.977
  200    HA   ALA  26           HA       ALA  26  -5.931   4.589  -0.674
  201   1HB   ALA  26           HB2      ALA  26  -7.668   2.913  -1.211
  202   2HB   ALA  26           HB1      ALA  26  -6.766   2.448  -2.649
  203   3HB   ALA  26           HB3      ALA  26  -6.084   2.161  -1.052
  204    H    GLU  27           HN       GLU  27  -5.398   4.361  -4.130
  205    HA   GLU  27           HA       GLU  27  -2.776   3.211  -4.032
  206   1HB   GLU  27           HB2      GLU  27  -4.171   4.963  -6.061
  207   2HB   GLU  27           HB1      GLU  27  -2.556   4.323  -6.316
  208   1HG   GLU  27           HG2      GLU  27  -3.456   2.016  -5.940
  209   2HG   GLU  27           HG1      GLU  27  -5.072   2.703  -5.827
  210    H    LYS  28           HN       LYS  28  -3.911   6.567  -4.126
  211    HA   LYS  28           HA       LYS  28  -1.208   7.650  -4.012
  212   1HB   LYS  28           HB2      LYS  28  -3.883   8.988  -3.548
  213   2HB   LYS  28           HB1      LYS  28  -2.346   9.824  -3.744
  214   1HG   LYS  28           HG2      LYS  28  -2.478   9.652  -5.994
  215   2HG   LYS  28           HG1      LYS  28  -2.719   7.911  -5.888
  216   1HD   LYS  28           HD2      LYS  28  -4.664   8.974  -6.963
  217   2HD   LYS  28           HD1      LYS  28  -5.129   8.287  -5.412
  218   1HE   LYS  28           HE2      LYS  28  -4.159  10.996  -5.060
  219   2HE   LYS  28           HE1      LYS  28  -5.457  10.963  -6.248
  220   1HZ   LYS  28           HZ1      LYS  28  -6.801   9.712  -4.652
  221   2HZ   LYS  28           HZ3      LYS  28  -5.558   9.845  -3.502
  222   3HZ   LYS  28           HZ2      LYS  28  -6.355  11.239  -4.058
  223    H    VAL  29           HN       VAL  29  -3.818   7.111  -1.696
  224    HA   VAL  29           HA       VAL  29  -2.716   8.494   0.517
  225    HB   VAL  29           HB       VAL  29  -4.403   5.985   0.411
  226   1HG1  VAL  29          HG11      VAL  29  -3.456   7.682   2.730
  227   2HG1  VAL  29          HG13      VAL  29  -4.929   6.724   2.831
  228   3HG1  VAL  29          HG12      VAL  29  -3.381   5.930   2.563
  229   1HG2  VAL  29          HG21      VAL  29  -5.041   8.550  -0.293
  230   2HG2  VAL  29          HG23      VAL  29  -6.205   7.396   0.348
  231   3HG2  VAL  29          HG22      VAL  29  -5.444   8.568   1.421
  232    H    PHE  30           HN       PHE  30  -2.493   4.997  -0.147
  233    HA   PHE  30           HA       PHE  30  -0.552   4.459   1.855
  234   1HB   PHE  30           HB2      PHE  30  -1.400   3.084  -0.667
  235   2HB   PHE  30           HB1      PHE  30   0.064   2.531   0.134
  236    HD1  PHE  30           HD1      PHE  30  -0.288   2.412   2.873
  237    HD2  PHE  30           HD2      PHE  30  -3.337   1.925  -0.067
  238    HE1  PHE  30           HE1      PHE  30  -1.661   1.174   4.490
  239    HE2  PHE  30           HE2      PHE  30  -4.684   0.676   1.554
  240    HZ   PHE  30           HZ       PHE  30  -3.843   0.270   3.823
  241    H    LYS  31           HN       LYS  31  -0.182   5.359  -1.544
  242    HA   LYS  31           HA       LYS  31   2.622   5.114  -1.750
  243   1HB   LYS  31           HB2      LYS  31   1.158   5.619  -3.670
  244   2HB   LYS  31           HB1      LYS  31   0.843   7.217  -3.003
  245   1HG   LYS  31           HG2      LYS  31   3.708   6.599  -3.196
  246   2HG   LYS  31           HG1      LYS  31   2.896   6.601  -4.757
  247   1HD   LYS  31           HD2      LYS  31   2.106   8.841  -4.451
  248   2HD   LYS  31           HD1      LYS  31   2.525   8.831  -2.741
  249   1HE   LYS  31           HE2      LYS  31   4.877   8.836  -3.227
  250   2HE   LYS  31           HE1      LYS  31   4.592   8.498  -4.930
  251   1HZ   LYS  31           HZ2      LYS  31   3.173  10.801  -4.304
  252   2HZ   LYS  31           HZ1      LYS  31   4.721  10.986  -3.630
  253   3HZ   LYS  31           HZ3      LYS  31   4.551  10.660  -5.288
  254    H    GLN  32           HN       GLN  32   0.653   7.625  -0.310
  255    HA   GLN  32           HA       GLN  32   2.785   9.522   0.080
  256   1HB   GLN  32           HB2      GLN  32   0.327  10.049   0.215
  257   2HB   GLN  32           HB1      GLN  32   0.279   9.190   1.750
  258   1HG   GLN  32           HG2      GLN  32   2.482  10.937   1.952
  259   2HG   GLN  32           HG1      GLN  32   1.205  11.887   1.199
  260   1HE2  GLN  32          HE22      GLN  32   0.249  10.187   4.824
  261   2HE2  GLN  32          HE21      GLN  32   1.122   9.278   3.689
  262    OH   TYR  33           OH       TYR  33   4.771   2.721   8.241
  263    H    TYR  33           HN       TYR  33   1.672   6.713   1.800
  264    HA   TYR  33           HA       TYR  33   3.166   7.273   4.232
  265   1HB   TYR  33           HB2      TYR  33   1.206   5.822   4.329
  266   2HB   TYR  33           HB1      TYR  33   1.944   4.710   3.182
  267    HD1  TYR  33           HD1      TYR  33   4.005   3.443   3.839
  268    HD2  TYR  33           HD2      TYR  33   1.839   5.784   6.653
  269    HE1  TYR  33           HE1      TYR  33   5.139   2.285   5.675
  270    HE2  TYR  33           HE2      TYR  33   2.972   4.623   8.491
  271    HH   TYR  33           HH       TYR  33   4.211   2.778   9.019
  272    H    ALA  34           HN       ALA  34   3.571   4.860   1.650
  273    HA   ALA  34           HA       ALA  34   6.030   3.783   2.378
  274   1HB   ALA  34           HB2      ALA  34   4.540   4.090  -0.110
  275   2HB   ALA  34           HB1      ALA  34   6.281   4.095  -0.379
  276   3HB   ALA  34           HB3      ALA  34   5.521   2.736   0.444
  277    H    ASN  35           HN       ASN  35   5.378   6.908   0.944
  278    HA   ASN  35           HA       ASN  35   7.994   7.643   0.158
  279   1HB   ASN  35           HB2      ASN  35   6.001   8.999  -0.353
  280   2HB   ASN  35           HB1      ASN  35   5.835   9.404   1.353
  281   1HD2  ASN  35          HD22      ASN  35   9.451  10.786   0.309
  282   2HD2  ASN  35          HD21      ASN  35   9.122   9.139   0.557
  283    H    ASP  36           HN       ASP  36   6.378   8.167   3.284
  284    HA   ASP  36           HA       ASP  36   8.552   9.400   4.616
  285   1HB   ASP  36           HB2      ASP  36   6.158   7.841   5.492
  286   2HB   ASP  36           HB1      ASP  36   7.420   8.160   6.680
  287    H    ASN  37           HN       ASN  37   8.330   6.292   3.375
  288    HA   ASN  37           HA       ASN  37  10.523   5.313   5.170
  289   1HB   ASN  37           HB2      ASN  37   8.342   3.820   3.709
  290   2HB   ASN  37           HB1      ASN  37   9.757   3.013   4.378
  291   1HD2  ASN  37          HD22      ASN  37   6.971   4.625   6.933
  292   2HD2  ASN  37          HD21      ASN  37   7.038   5.160   5.324
  293    H    GLY  38           HN       GLY  38   9.590   6.109   1.977
  294   1HA   GLY  38           HA2      GLY  38  11.000   6.332   0.085
  295   2HA   GLY  38           HA1      GLY  38  12.307   5.606   1.016
  296    H    VAL  39           HN       VAL  39   9.117   4.655  -0.263
  297    HA   VAL  39           HA       VAL  39  10.401   2.238  -1.448
  298    HB   VAL  39           HB       VAL  39   7.785   2.154   0.077
  299   1HG1  VAL  39          HG12      VAL  39   8.071   0.469  -1.722
  300   2HG1  VAL  39          HG11      VAL  39   9.613  -0.012  -1.021
  301   3HG1  VAL  39          HG13      VAL  39   8.117  -0.289  -0.133
  302   1HG2  VAL  39          HG21      VAL  39  10.633   1.703   0.915
  303   2HG2  VAL  39          HG23      VAL  39   9.306   2.418   1.825
  304   3HG2  VAL  39          HG22      VAL  39   9.379   0.673   1.600
  305    H    ASP  40           HN       ASP  40  10.120   3.812  -3.295
  306    HA   ASP  40           HA       ASP  40   7.333   3.686  -4.392
  307   1HB   ASP  40           HB2      ASP  40   9.401   5.537  -5.508
  308   2HB   ASP  40           HB1      ASP  40   7.654   5.746  -5.406
  309    H    GLY  41           HN       GLY  41   7.033   2.400  -6.097
  310   1HA   GLY  41           HA2      GLY  41   8.868   2.176  -8.288
  311   2HA   GLY  41           HA1      GLY  41   9.053   0.777  -7.233
  312    H    GLU  42           HN       GLU  42   7.624  -0.858  -7.410
  313    HA   GLU  42           HA       GLU  42   5.444  -0.538  -9.412
  314   1HB   GLU  42           HB2      GLU  42   6.861  -2.902  -8.220
  315   2HB   GLU  42           HB1      GLU  42   5.363  -3.099  -9.115
  316   1HG   GLU  42           HG2      GLU  42   7.505  -1.430 -10.371
  317   2HG   GLU  42           HG1      GLU  42   7.748  -3.175 -10.344
  318    CH2  TRP  43           CH2      TRP  43   2.126   2.546  -2.169
  319    H    TRP  43           HN       TRP  43   3.317  -0.822  -8.882
  320    HA   TRP  43           HA       TRP  43   2.716  -1.328  -5.990
  321   1HB   TRP  43           HB2      TRP  43   1.667   0.741  -7.892
  322   2HB   TRP  43           HB1      TRP  43   0.708   0.238  -6.509
  323    HD1  TRP  43           HD1      TRP  43   4.280   1.496  -7.304
  324    HE1  TRP  43           HE1      TRP  43   5.022   2.851  -5.285
  325    HE3  TRP  43           HE3      TRP  43   0.363   0.692  -4.343
  326    HZ2  TRP  43           HZ2      TRP  43   4.029   3.430  -2.552
  327    HZ3  TRP  43           HZ3      TRP  43   0.243   1.551  -2.059
  328    HH2  TRP  43           HH2      TRP  43   2.070   2.921  -1.157
  329    H    THR  44           HN       THR  44   1.196  -2.791  -5.546
  330    HA   THR  44           HA       THR  44  -0.438  -3.860  -7.820
  331    HB   THR  44           HB       THR  44  -0.262  -6.101  -6.530
  332    HG1  THR  44           HG1      THR  44   0.507  -4.910  -4.649
  333   1HG2  THR  44          HG21      THR  44   2.286  -4.808  -7.585
  334   2HG2  THR  44          HG23      THR  44   2.083  -6.533  -7.298
  335   3HG2  THR  44          HG22      THR  44   1.140  -5.732  -8.551
  336    OH   TYR  45           OH       TYR  45  -8.891  -1.357  -2.971
  337    H    TYR  45           HN       TYR  45  -2.438  -4.896  -7.168
  338    HA   TYR  45           HA       TYR  45  -3.550  -3.916  -4.567
  339   1HB   TYR  45           HB2      TYR  45  -4.138  -2.516  -6.677
  340   2HB   TYR  45           HB1      TYR  45  -5.134  -3.894  -7.149
  341    HD1  TYR  45           HD1      TYR  45  -6.562  -4.765  -4.780
  342    HD2  TYR  45           HD2      TYR  45  -5.430  -0.810  -5.814
  343    HE1  TYR  45           HE1      TYR  45  -8.318  -3.891  -3.336
  344    HE2  TYR  45           HE2      TYR  45  -7.228   0.065  -4.412
  345    HH   TYR  45           HH       TYR  45  -9.554  -2.044  -2.866
  346    H    ASP  46           HN       ASP  46  -4.489  -5.539  -3.467
  347    HA   ASP  46           HA       ASP  46  -5.108  -8.068  -4.935
  348   1HB   ASP  46           HB2      ASP  46  -3.495  -7.935  -2.886
  349   2HB   ASP  46           HB1      ASP  46  -4.978  -7.835  -1.939
  350    H    ASP  47           HN       ASP  47  -7.103  -6.764  -5.610
  351    HA   ASP  47           HA       ASP  47  -9.156  -6.122  -3.737
  352   1HB   ASP  47           HB2      ASP  47  -9.064  -5.438  -6.173
  353   2HB   ASP  47           HB1      ASP  47  -9.581  -7.071  -6.580
  354    H    ALA  48           HN       ALA  48  -7.810  -9.056  -4.309
  355    HA   ALA  48           HA       ALA  48 -10.255 -10.674  -4.199
  356   1HB   ALA  48           HB2      ALA  48  -7.902 -11.246  -5.262
  357   2HB   ALA  48           HB1      ALA  48  -7.536 -11.794  -3.630
  358   3HB   ALA  48           HB3      ALA  48  -8.873 -12.515  -4.522
  359    H    THR  49           HN       THR  49  -8.248  -9.079  -1.971
  360    HA   THR  49           HA       THR  49  -9.719 -10.325   0.266
  361    HB   THR  49           HB       THR  49  -7.547 -10.796   1.511
  362    HG1  THR  49           HG1      THR  49  -5.740 -10.330   0.452
  363   1HG2  THR  49          HG23      THR  49  -8.758 -12.577   0.041
  364   2HG2  THR  49          HG22      THR  49  -7.537 -12.207  -1.173
  365   3HG2  THR  49          HG21      THR  49  -7.055 -12.858   0.390
  366    H    LYS  50           HN       LYS  50  -9.095  -7.634  -1.143
  367    HA   LYS  50           HA       LYS  50  -8.826  -5.399  -0.479
  368   1HB   LYS  50           HB2      LYS  50  -9.704  -6.514   2.198
  369   2HB   LYS  50           HB1      LYS  50  -9.769  -4.824   1.708
  370   1HG   LYS  50           HG2      LYS  50 -11.417  -5.283   0.019
  371   2HG   LYS  50           HG1      LYS  50 -11.189  -7.021   0.175
  372   1HD   LYS  50           HD2      LYS  50 -12.095  -6.974   2.450
  373   2HD   LYS  50           HD1      LYS  50 -12.226  -5.219   2.390
  374   1HE   LYS  50           HE2      LYS  50 -14.415  -6.089   1.897
  375   2HE   LYS  50           HE1      LYS  50 -13.750  -5.511   0.374
  376   1HZ   LYS  50           HZ3      LYS  50 -12.977  -7.859   0.013
  377   2HZ   LYS  50           HZ2      LYS  50 -13.962  -8.303   1.324
  378   3HZ   LYS  50           HZ1      LYS  50 -14.656  -7.608  -0.063
  379    H    THR  51           HN       THR  51  -6.463  -6.386  -0.717
  380    HA   THR  51           HA       THR  51  -4.964  -5.410   1.674
  381    HB   THR  51           HB       THR  51  -4.734  -8.139   0.369
  382    HG1  THR  51           HG1      THR  51  -5.014  -6.911   2.897
  383   1HG2  THR  51          HG22      THR  51  -2.650  -6.716   2.067
  384   2HG2  THR  51          HG21      THR  51  -2.643  -8.429   1.697
  385   3HG2  THR  51          HG23      THR  51  -2.409  -7.253   0.413
  386    H    PHE  52           HN       PHE  52  -3.690  -3.766   0.910
  387    HA   PHE  52           HA       PHE  52  -3.028  -3.618  -1.930
  388   1HB   PHE  52           HB2      PHE  52  -3.003  -1.834   0.346
  389   2HB   PHE  52           HB1      PHE  52  -1.500  -1.726  -0.561
  390    HD1  PHE  52           HD1      PHE  52  -1.541  -1.109  -2.986
  391    HD2  PHE  52           HD2      PHE  52  -5.082  -1.168  -0.658
  392    HE1  PHE  52           HE1      PHE  52  -2.733   0.142  -4.741
  393    HE2  PHE  52           HE2      PHE  52  -6.223   0.196  -2.322
  394    HZ   PHE  52           HZ       PHE  52  -5.037   0.895  -4.349
  395    H    THR  53           HN       THR  53  -0.723  -3.312  -2.614
  396    HA   THR  53           HA       THR  53   1.344  -4.357  -0.831
  397    HB   THR  53           HB       THR  53   0.413  -6.002  -3.212
  398    HG1  THR  53           HG1      THR  53   0.542  -7.437  -1.153
  399   1HG2  THR  53          HG22      THR  53   3.005  -5.823  -1.837
  400   2HG2  THR  53          HG21      THR  53   2.282  -7.422  -1.699
  401   3HG2  THR  53          HG23      THR  53   2.589  -6.729  -3.288
  402    H    VAL  54           HN       VAL  54   3.293  -3.583  -1.402
  403    HA   VAL  54           HA       VAL  54   3.663  -2.595  -4.197
  404    HB   VAL  54           HB       VAL  54   3.015  -0.706  -2.648
  405   1HG1  VAL  54          HG13      VAL  54   4.200  -1.752  -0.675
  406   2HG1  VAL  54          HG12      VAL  54   5.719  -1.223  -1.391
  407   3HG1  VAL  54          HG11      VAL  54   4.513  -0.039  -0.902
  408   1HG2  VAL  54          HG22      VAL  54   5.777  -0.743  -3.888
  409   2HG2  VAL  54          HG21      VAL  54   4.296  -0.103  -4.576
  410   3HG2  VAL  54          HG23      VAL  54   5.057   0.713  -3.221
  411    H    THR  55           HN       THR  55   5.837  -2.601  -4.880
  412    HA   THR  55           HA       THR  55   7.840  -3.775  -3.020
  413    HB   THR  55           HB       THR  55   7.195  -4.985  -5.746
  414    HG1  THR  55           HG1      THR  55   5.985  -5.173  -3.478
  415   1HG2  THR  55          HG23      THR  55   9.404  -5.306  -3.779
  416   2HG2  THR  55          HG22      THR  55   8.633  -6.806  -4.283
  417   3HG2  THR  55          HG21      THR  55   9.360  -5.745  -5.481
  418    H    GLU  56           HN       GLU  56   9.623  -2.540  -3.178
  419    HA   GLU  56           HA       GLU  56   9.990  -0.587  -5.257
  420   1HB   GLU  56           HB2      GLU  56  11.138  -1.098  -2.777
  421   2HB   GLU  56           HB1      GLU  56  12.459  -1.360  -3.904
  422   1HG   GLU  56           HG2      GLU  56  11.818   0.864  -4.979
  423   2HG   GLU  56           HG1      GLU  56  10.744   1.124  -3.606
   
  Start of MODEL          10
 Raw file had 423 H/Q atoms
  Entry Start of MODEL   10
    1   1H    MET   1           HT3      MET   1 -13.298   0.972   4.960
    2   2H    MET   1           HT2      MET   1 -14.536   1.448   3.899
    3   3H    MET   1           HT1      MET   1 -14.496  -0.140   4.501
    4    HA   MET   1           HA       MET   1 -13.304  -0.783   2.777
    5   1HB   MET   1           HB2      MET   1 -13.131   2.152   2.041
    6   2HB   MET   1           HB1      MET   1 -12.752   0.805   0.975
    7   1HG   MET   1           HG2      MET   1 -14.910   0.490   0.486
    8   2HG   MET   1           HG1      MET   1 -15.330   0.393   2.175
    9   1HE   MET   1           HE2      MET   1 -15.047   2.325  -0.985
   10   2HE   MET   1           HE1      MET   1 -16.691   1.720  -0.778
   11   3HE   MET   1           HE3      MET   1 -16.393   3.458  -0.848
   12    H    THR   2           HN       THR   2 -11.836  -0.958   4.866
   13    HA   THR   2           HA       THR   2  -9.324   0.590   4.484
   14    HB   THR   2           HB       THR   2  -9.775  -1.398   6.722
   15    HG1  THR   2           HG1      THR   2 -11.116   0.033   7.623
   16   1HG2  THR   2          HG23      THR   2  -7.612   0.094   6.230
   17   2HG2  THR   2          HG22      THR   2  -8.607   1.367   6.929
   18   3HG2  THR   2          HG21      THR   2  -8.219  -0.067   7.875
   19    OH   TYR   3           OH       TYR   3 -11.556   0.238  -1.015
   20    H    TYR   3           HN       TYR   3  -7.770  -0.280   3.275
   21    HA   TYR   3           HA       TYR   3  -7.752  -3.241   2.884
   22   1HB   TYR   3           HB2      TYR   3  -6.095  -1.272   1.327
   23   2HB   TYR   3           HB1      TYR   3  -6.614  -2.880   0.848
   24    HD1  TYR   3           HD1      TYR   3  -7.912   0.525   1.660
   25    HD2  TYR   3           HD2      TYR   3  -8.653  -3.163  -0.320
   26    HE1  TYR   3           HE1      TYR   3  -9.919   1.483   0.626
   27    HE2  TYR   3           HE2      TYR   3 -10.657  -2.208  -1.356
   28    HH   TYR   3           HH       TYR   3 -11.533   1.189  -0.886
   29    H    LYS   4           HN       LYS   4  -5.639  -4.312   2.853
   30    HA   LYS   4           HA       LYS   4  -3.854  -3.161   4.957
   31   1HB   LYS   4           HB2      LYS   4  -5.073  -5.543   4.994
   32   2HB   LYS   4           HB1      LYS   4  -3.656  -6.006   4.066
   33   1HG   LYS   4           HG2      LYS   4  -2.397  -4.648   5.998
   34   2HG   LYS   4           HG1      LYS   4  -3.838  -5.094   6.906
   35   1HD   LYS   4           HD2      LYS   4  -3.411  -7.483   5.918
   36   2HD   LYS   4           HD1      LYS   4  -1.780  -6.887   5.636
   37   1HE   LYS   4           HE2      LYS   4  -1.852  -6.116   8.113
   38   2HE   LYS   4           HE1      LYS   4  -3.236  -7.191   8.263
   39   1HZ   LYS   4           HZ2      LYS   4  -1.111  -8.484   6.914
   40   2HZ   LYS   4           HZ1      LYS   4  -0.577  -7.875   8.407
   41   3HZ   LYS   4           HZ3      LYS   4  -1.905  -8.932   8.346
   42    H    LEU   5           HN       LEU   5  -1.905  -2.437   4.320
   43    HA   LEU   5           HA       LEU   5  -0.995  -3.082   1.585
   44   1HB   LEU   5           HB2      LEU   5  -0.850  -0.749   2.173
   45   2HB   LEU   5           HB1      LEU   5  -0.054  -1.109   3.694
   46    HG   LEU   5           HG       LEU   5   1.943  -1.974   2.349
   47   1HD1  LEU   5          HD13      LEU   5   0.391  -0.705   0.070
   48   2HD1  LEU   5          HD12      LEU   5   2.051  -1.275  -0.028
   49   3HD1  LEU   5          HD11      LEU   5   0.744  -2.421   0.225
   50   1HD2  LEU   5          HD21      LEU   5   1.692   0.383   3.288
   51   2HD2  LEU   5          HD23      LEU   5   2.825   0.204   1.952
   52   3HD2  LEU   5          HD22      LEU   5   1.225   0.873   1.665
   53    H    ILE   6           HN       ILE   6   1.075  -3.929   1.150
   54    HA   ILE   6           HA       ILE   6   2.514  -5.183   3.400
   55    HB   ILE   6           HB       ILE   6   1.985  -6.542   0.747
   56   1HG1  ILE   6          HG12      ILE   6   0.645  -6.782   3.455
   57   2HG1  ILE   6          HG11      ILE   6  -0.119  -6.462   1.903
   58   1HG2  ILE   6          HG21      ILE   6   4.097  -7.093   2.125
   59   2HG2  ILE   6          HG23      ILE   6   2.999  -7.750   3.332
   60   3HG2  ILE   6          HG22      ILE   6   3.055  -8.447   1.716
   61   1HD1  ILE   6           HD1      ILE   6   0.799  -8.764   1.174
   62   2HD1  ILE   6           HD3      ILE   6   1.099  -9.052   2.885
   63   3HD1  ILE   6           HD2      ILE   6  -0.539  -8.769   2.316
   64    H    LEU   7           HN       LEU   7   4.326  -3.975   3.400
   65    HA   LEU   7           HA       LEU   7   5.463  -2.926   0.930
   66   1HB   LEU   7           HB2      LEU   7   6.491  -2.893   3.767
   67   2HB   LEU   7           HB1      LEU   7   7.229  -2.025   2.428
   68    HG   LEU   7           HG       LEU   7   4.348  -1.546   2.596
   69   1HD1  LEU   7          HD13      LEU   7   6.125  -0.821   4.950
   70   2HD1  LEU   7          HD12      LEU   7   4.548  -0.098   4.649
   71   3HD1  LEU   7          HD11      LEU   7   4.676  -1.821   4.995
   72   1HD2  LEU   7          HD22      LEU   7   6.015  -0.236   1.267
   73   2HD2  LEU   7          HD21      LEU   7   5.107   0.777   2.386
   74   3HD2  LEU   7          HD23      LEU   7   6.757   0.297   2.773
   75    H    ASN   8           HN       ASN   8   6.733  -4.011  -0.392
   76    HA   ASN   8           HA       ASN   8   8.336  -6.277   0.709
   77   1HB   ASN   8           HB2      ASN   8   6.731  -5.901  -1.681
   78   2HB   ASN   8           HB1      ASN   8   8.360  -6.389  -2.098
   79   1HD2  ASN   8          HD22      ASN   8   5.924  -9.209  -1.011
   80   2HD2  ASN   8          HD21      ASN   8   5.533  -7.765  -1.800
   81    H    GLY   9           HN       GLY   9   9.181  -3.624   1.062
   82   1HA   GLY   9           HA2      GLY   9  10.878  -2.512  -0.862
   83   2HA   GLY   9           HA1      GLY   9  11.179  -2.395   0.866
   84    H    LYS  10           HN       LYS  10  13.059  -2.729  -1.363
   85    HA   LYS  10           HA       LYS  10  14.081  -5.354  -1.604
   86   1HB   LYS  10           HB2      LYS  10  15.006  -2.646  -2.109
   87   2HB   LYS  10           HB1      LYS  10  16.319  -3.683  -1.572
   88   1HG   LYS  10           HG2      LYS  10  15.826  -5.306  -3.313
   89   2HG   LYS  10           HG1      LYS  10  14.378  -4.430  -3.786
   90   1HD   LYS  10           HD2      LYS  10  17.201  -3.297  -3.922
   91   2HD   LYS  10           HD1      LYS  10  16.339  -3.975  -5.296
   92   1HE   LYS  10           HE2      LYS  10  15.679  -1.801  -5.612
   93   2HE   LYS  10           HE1      LYS  10  14.472  -2.202  -4.400
   94   1HZ   LYS  10           HZ3      LYS  10  17.111  -1.233  -3.547
   95   2HZ   LYS  10           HZ2      LYS  10  15.951  -0.125  -4.107
   96   3HZ   LYS  10           HZ1      LYS  10  15.610  -1.104  -2.763
   97    H    THR  11           HN       THR  11  15.317  -2.792   0.522
   98    HA   THR  11           HA       THR  11  16.433  -4.893   2.310
   99    HB   THR  11           HB       THR  11  17.628  -2.785   3.294
  100    HG1  THR  11           HG1      THR  11  17.064  -1.002   2.305
  101   1HG2  THR  11          HG23      THR  11  18.139  -4.277   0.830
  102   2HG2  THR  11          HG22      THR  11  18.728  -2.622   0.711
  103   3HG2  THR  11          HG21      THR  11  19.302  -3.669   2.005
  104    H    LEU  12           HN       LEU  12  13.590  -3.550   2.051
  105    HA   LEU  12           HA       LEU  12  13.209  -3.417   4.994
  106   1HB   LEU  12           HB2      LEU  12  13.584  -1.076   3.971
  107   2HB   LEU  12           HB1      LEU  12  12.000  -1.288   3.234
  108    HG   LEU  12           HG       LEU  12  11.470  -2.048   5.808
  109   1HD1  LEU  12          HD12      LEU  12  13.812  -1.416   6.460
  110   2HD1  LEU  12          HD11      LEU  12  13.462   0.238   5.970
  111   3HD1  LEU  12          HD13      LEU  12  12.587  -0.485   7.316
  112   1HD2  LEU  12          HD22      LEU  12  11.406   0.714   4.551
  113   2HD2  LEU  12          HD21      LEU  12  10.106  -0.474   4.570
  114   3HD2  LEU  12          HD23      LEU  12  10.594   0.321   6.064
  115    H    LYS  13           HN       LYS  13  11.158  -4.005   5.671
  116    HA   LYS  13           HA       LYS  13   9.061  -4.496   3.649
  117   1HB   LYS  13           HB2      LYS  13  10.262  -6.714   5.331
  118   2HB   LYS  13           HB1      LYS  13   8.784  -6.866   4.388
  119   1HG   LYS  13           HG2      LYS  13  10.172  -6.115   2.363
  120   2HG   LYS  13           HG1      LYS  13  11.593  -6.367   3.368
  121   1HD   LYS  13           HD2      LYS  13  10.085  -8.692   3.745
  122   2HD   LYS  13           HD1      LYS  13   9.911  -8.342   2.028
  123   1HE   LYS  13           HE2      LYS  13  12.374  -8.144   1.827
  124   2HE   LYS  13           HE1      LYS  13  12.540  -8.509   3.539
  125   1HZ   LYS  13           HZ2      LYS  13  11.101 -10.352   1.751
  126   2HZ   LYS  13           HZ1      LYS  13  12.797 -10.390   1.847
  127   3HZ   LYS  13           HZ3      LYS  13  11.861 -10.675   3.236
  128    H    GLY  14           HN       GLY  14   7.010  -4.456   4.527
  129   1HA   GLY  14           HA2      GLY  14   6.550  -4.759   7.381
  130   2HA   GLY  14           HA1      GLY  14   6.497  -3.072   6.880
  131    H    GLU  15           HN       GLU  15   4.256  -3.088   7.521
  132    HA   GLU  15           HA       GLU  15   2.447  -3.503   5.343
  133   1HB   GLU  15           HB2      GLU  15   1.055  -5.306   6.361
  134   2HB   GLU  15           HB1      GLU  15   2.656  -5.874   5.908
  135   1HG   GLU  15           HG2      GLU  15   2.892  -6.593   8.045
  136   2HG   GLU  15           HG1      GLU  15   2.970  -4.901   8.525
  137    H    THR  16           HN       THR  16   0.770  -2.143   5.647
  138    HA   THR  16           HA       THR  16  -0.147  -1.569   8.403
  139    HB   THR  16           HB       THR  16   1.431   0.211   8.235
  140    HG1  THR  16           HG1      THR  16  -0.341   1.836   7.195
  141   1HG2  THR  16          HG22      THR  16   0.453   0.442   5.371
  142   2HG2  THR  16          HG21      THR  16   1.398   1.700   6.156
  143   3HG2  THR  16          HG23      THR  16   2.096   0.104   5.899
  144    H    THR  17           HN       THR  17  -2.248  -0.719   8.510
  145    HA   THR  17           HA       THR  17  -3.804  -1.052   5.983
  146    HB   THR  17           HB       THR  17  -5.662  -1.692   7.336
  147    HG1  THR  17           HG1      THR  17  -4.975  -1.146   9.770
  148   1HG2  THR  17          HG23      THR  17  -3.280  -3.013   7.815
  149   2HG2  THR  17          HG22      THR  17  -3.728  -2.490   9.434
  150   3HG2  THR  17          HG21      THR  17  -4.826  -3.500   8.499
  151    H    THR  18           HN       THR  18  -5.088   0.563   5.198
  152    HA   THR  18           HA       THR  18  -5.205   3.118   6.752
  153    HB   THR  18           HB       THR  18  -3.453   3.033   4.780
  154    HG1  THR  18           HG1      THR  18  -3.762   5.060   5.303
  155   1HG2  THR  18          HG22      THR  18  -5.457   2.166   3.233
  156   2HG2  THR  18          HG21      THR  18  -5.865   3.877   3.194
  157   3HG2  THR  18          HG23      THR  18  -4.298   3.332   2.606
  158    H    GLU  19           HN       GLU  19  -7.066   4.343   6.459
  159    HA   GLU  19           HA       GLU  19  -9.334   2.852   5.261
  160   1HB   GLU  19           HB2      GLU  19  -9.614   3.675   7.557
  161   2HB   GLU  19           HB1      GLU  19  -9.282   5.317   7.022
  162   1HG   GLU  19           HG2      GLU  19 -11.461   3.799   5.631
  163   2HG   GLU  19           HG1      GLU  19 -11.789   4.432   7.242
  164    H    ALA  20           HN       ALA  20 -10.279   3.473   3.408
  165    HA   ALA  20           HA       ALA  20  -9.811   6.243   2.414
  166   1HB   ALA  20           HB2      ALA  20  -8.886   3.706   1.190
  167   2HB   ALA  20           HB1      ALA  20  -9.616   4.871   0.090
  168   3HB   ALA  20           HB3      ALA  20  -8.215   5.328   1.054
  169    H    VAL  21           HN       VAL  21 -11.194   6.641   0.411
  170    HA   VAL  21           HA       VAL  21 -13.897   5.524   0.958
  171    HB   VAL  21           HB       VAL  21 -13.887   7.910   0.983
  172   1HG1  VAL  21          HG11      VAL  21 -12.327   7.660  -1.608
  173   2HG1  VAL  21          HG13      VAL  21 -12.989   9.180  -1.014
  174   3HG1  VAL  21          HG12      VAL  21 -11.754   8.335  -0.085
  175   1HG2  VAL  21          HG22      VAL  21 -15.639   6.645  -0.472
  176   2HG2  VAL  21          HG21      VAL  21 -15.502   8.389  -0.678
  177   3HG2  VAL  21          HG23      VAL  21 -14.754   7.303  -1.845
  178    H    ASP  22           HN       ASP  22 -11.329   5.202  -1.214
  179    HA   ASP  22           HA       ASP  22 -12.914   3.434  -2.922
  180   1HB   ASP  22           HB2      ASP  22 -12.687   4.622  -4.978
  181   2HB   ASP  22           HB1      ASP  22 -13.273   5.808  -3.815
  182    H    ALA  23           HN       ALA  23 -11.420   2.723  -4.860
  183    HA   ALA  23           HA       ALA  23  -8.974   1.712  -3.627
  184   1HB   ALA  23           HB3      ALA  23 -10.511   1.220  -6.104
  185   2HB   ALA  23           HB2      ALA  23  -8.773   0.968  -6.236
  186   3HB   ALA  23           HB1      ALA  23  -9.704   0.076  -5.036
  187    H    ALA  24           HN       ALA  24  -9.783   4.061  -6.134
  188    HA   ALA  24           HA       ALA  24  -7.149   4.533  -7.095
  189   1HB   ALA  24           HB1      ALA  24  -9.531   5.470  -7.839
  190   2HB   ALA  24           HB3      ALA  24  -9.038   6.833  -6.841
  191   3HB   ALA  24           HB2      ALA  24  -8.050   6.345  -8.213
  192    H    THR  25           HN       THR  25  -8.961   6.411  -4.656
  193    HA   THR  25           HA       THR  25  -6.742   8.017  -3.882
  194    HB   THR  25           HB       THR  25  -9.195   8.402  -3.211
  195    HG1  THR  25           HG1      THR  25  -8.166   8.764  -0.894
  196   1HG2  THR  25          HG23      THR  25  -9.315   5.971  -2.201
  197   2HG2  THR  25          HG22      THR  25  -8.444   6.680  -0.845
  198   3HG2  THR  25          HG21      THR  25 -10.034   7.290  -1.285
  199    H    ALA  26           HN       ALA  26  -7.682   4.761  -3.027
  200    HA   ALA  26           HA       ALA  26  -6.134   4.415  -0.679
  201   1HB   ALA  26           HB3      ALA  26  -7.748   2.753  -1.870
  202   2HB   ALA  26           HB2      ALA  26  -6.321   2.267  -2.777
  203   3HB   ALA  26           HB1      ALA  26  -6.350   2.095  -1.026
  204    H    GLU  27           HN       GLU  27  -5.236   4.145  -4.097
  205    HA   GLU  27           HA       GLU  27  -2.541   3.311  -3.698
  206   1HB   GLU  27           HB2      GLU  27  -4.041   4.693  -5.883
  207   2HB   GLU  27           HB1      GLU  27  -2.285   4.746  -5.944
  208   1HG   GLU  27           HG2      GLU  27  -2.219   2.264  -5.755
  209   2HG   GLU  27           HG1      GLU  27  -3.978   2.235  -5.747
  210    H    LYS  28           HN       LYS  28  -3.881   6.562  -4.163
  211    HA   LYS  28           HA       LYS  28  -1.420   7.953  -3.730
  212   1HB   LYS  28           HB2      LYS  28  -2.912   9.414  -4.664
  213   2HB   LYS  28           HB1      LYS  28  -4.295   8.629  -3.920
  214   1HG   LYS  28           HG2      LYS  28  -3.931   9.778  -1.826
  215   2HG   LYS  28           HG1      LYS  28  -2.358  10.372  -2.360
  216   1HD   LYS  28           HD2      LYS  28  -3.306  11.935  -3.818
  217   2HD   LYS  28           HD1      LYS  28  -4.806  11.029  -3.974
  218   1HE   LYS  28           HE2      LYS  28  -5.419  11.599  -1.664
  219   2HE   LYS  28           HE1      LYS  28  -3.894  12.450  -1.451
  220   1HZ   LYS  28           HZ2      LYS  28  -5.973  13.164  -3.441
  221   2HZ   LYS  28           HZ1      LYS  28  -5.740  13.943  -1.950
  222   3HZ   LYS  28           HZ3      LYS  28  -4.532  14.012  -3.143
  223    H    VAL  29           HN       VAL  29  -3.808   6.658  -1.549
  224    HA   VAL  29           HA       VAL  29  -2.942   8.129   0.784
  225    HB   VAL  29           HB       VAL  29  -4.432   5.505   0.511
  226   1HG1  VAL  29          HG13      VAL  29  -3.777   7.235   2.911
  227   2HG1  VAL  29          HG12      VAL  29  -5.106   6.081   2.915
  228   3HG1  VAL  29          HG11      VAL  29  -3.452   5.517   2.701
  229   1HG2  VAL  29          HG23      VAL  29  -5.222   8.103  -0.080
  230   2HG2  VAL  29          HG22      VAL  29  -6.310   6.771   0.295
  231   3HG2  VAL  29          HG21      VAL  29  -5.803   7.877   1.566
  232    H    PHE  30           HN       PHE  30  -2.448   4.728  -0.164
  233    HA   PHE  30           HA       PHE  30  -0.466   4.242   1.852
  234   1HB   PHE  30           HB2      PHE  30  -1.314   2.827  -0.655
  235   2HB   PHE  30           HB1      PHE  30   0.139   2.304   0.186
  236    HD1  PHE  30           HD1      PHE  30  -0.250   2.197   2.911
  237    HD2  PHE  30           HD2      PHE  30  -3.275   1.706  -0.054
  238    HE1  PHE  30           HE1      PHE  30  -1.651   0.983   4.526
  239    HE2  PHE  30           HE2      PHE  30  -4.645   0.487   1.565
  240    HZ   PHE  30           HZ       PHE  30  -3.831   0.082   3.841
  241    H    LYS  31           HN       LYS  31  -0.306   5.442  -1.444
  242    HA   LYS  31           HA       LYS  31   2.532   5.155  -1.779
  243   1HB   LYS  31           HB2      LYS  31   0.943   5.611  -3.646
  244   2HB   LYS  31           HB1      LYS  31   0.709   7.237  -3.017
  245   1HG   LYS  31           HG2      LYS  31   3.125   7.694  -3.288
  246   2HG   LYS  31           HG1      LYS  31   3.370   6.061  -3.896
  247   1HD   LYS  31           HD2      LYS  31   1.464   6.762  -5.609
  248   2HD   LYS  31           HD1      LYS  31   2.003   8.388  -5.209
  249   1HE   LYS  31           HE2      LYS  31   3.321   7.701  -7.089
  250   2HE   LYS  31           HE1      LYS  31   4.379   7.584  -5.689
  251   1HZ   LYS  31           HZ2      LYS  31   2.814   5.249  -6.557
  252   2HZ   LYS  31           HZ1      LYS  31   4.270   5.641  -7.340
  253   3HZ   LYS  31           HZ3      LYS  31   4.265   5.302  -5.676
  254    H    GLN  32           HN       GLN  32   0.514   7.699  -0.420
  255    HA   GLN  32           HA       GLN  32   2.644   9.602  -0.048
  256   1HB   GLN  32           HB2      GLN  32   0.218  10.187   0.027
  257   2HB   GLN  32           HB1      GLN  32   0.079   9.306   1.545
  258   1HG   GLN  32           HG2      GLN  32   1.568  10.823   2.664
  259   2HG   GLN  32           HG1      GLN  32   2.075  11.554   1.143
  260   1HE2  GLN  32          HE22      GLN  32  -1.860  12.364   1.703
  261   2HE2  GLN  32          HE21      GLN  32  -1.307  10.779   1.451
  262    OH   TYR  33           OH       TYR  33   4.733   2.822   8.090
  263    H    TYR  33           HN       TYR  33   1.589   6.797   1.678
  264    HA   TYR  33           HA       TYR  33   2.974   7.441   4.157
  265   1HB   TYR  33           HB2      TYR  33   1.094   5.916   4.244
  266   2HB   TYR  33           HB1      TYR  33   1.856   4.848   3.068
  267    HD1  TYR  33           HD1      TYR  33   3.880   3.548   3.704
  268    HD2  TYR  33           HD2      TYR  33   1.798   5.911   6.560
  269    HE1  TYR  33           HE1      TYR  33   5.042   2.377   5.517
  270    HE2  TYR  33           HE2      TYR  33   2.960   4.741   8.375
  271    HH   TYR  33           HH       TYR  33   4.507   3.257   8.915
  272    H    ALA  34           HN       ALA  34   3.565   5.061   1.586
  273    HA   ALA  34           HA       ALA  34   6.060   4.108   2.430
  274   1HB   ALA  34           HB2      ALA  34   4.616   4.276  -0.116
  275   2HB   ALA  34           HB1      ALA  34   6.365   4.257  -0.307
  276   3HB   ALA  34           HB3      ALA  34   5.560   2.947   0.551
  277    H    ASN  35           HN       ASN  35   5.299   7.073   0.688
  278    HA   ASN  35           HA       ASN  35   7.874   7.921  -0.042
  279   1HB   ASN  35           HB2      ASN  35   5.870   9.167  -0.680
  280   2HB   ASN  35           HB1      ASN  35   5.574   9.594   1.004
  281   1HD2  ASN  35          HD22      ASN  35   8.001  12.173   1.067
  282   2HD2  ASN  35          HD21      ASN  35   6.943  11.215   1.985
  283    H    ASP  36           HN       ASP  36   6.274   8.080   3.092
  284    HA   ASP  36           HA       ASP  36   8.376   9.635   4.352
  285   1HB   ASP  36           HB2      ASP  36   5.939   8.180   5.248
  286   2HB   ASP  36           HB1      ASP  36   7.184   8.474   6.460
  287    H    ASN  37           HN       ASN  37   8.914   6.953   2.922
  288    HA   ASN  37           HA       ASN  37  10.759   5.932   5.023
  289   1HB   ASN  37           HB2      ASN  37   8.788   4.293   3.424
  290   2HB   ASN  37           HB1      ASN  37  10.197   3.577   4.200
  291   1HD2  ASN  37          HD22      ASN  37   7.077   4.916   6.493
  292   2HD2  ASN  37          HD21      ASN  37   7.182   5.365   4.859
  293    H    GLY  38           HN       GLY  38   9.790   5.765   1.626
  294   1HA   GLY  38           HA2      GLY  38  11.580   6.500  -0.010
  295   2HA   GLY  38           HA1      GLY  38  12.684   5.474   0.897
  296    H    VAL  39           HN       VAL  39   9.434   4.400   0.432
  297    HA   VAL  39           HA       VAL  39  10.459   2.242  -1.338
  298    HB   VAL  39           HB       VAL  39   7.814   2.454   0.123
  299   1HG1  VAL  39          HG11      VAL  39   9.182   0.184  -1.363
  300   2HG1  VAL  39          HG13      VAL  39   7.736  -0.003  -0.377
  301   3HG1  VAL  39          HG12      VAL  39   7.687   0.987  -1.832
  302   1HG2  VAL  39          HG21      VAL  39  10.447   1.904   1.078
  303   2HG2  VAL  39          HG23      VAL  39   8.930   1.752   1.958
  304   3HG2  VAL  39          HG22      VAL  39   9.568   0.379   1.061
  305    H    ASP  40           HN       ASP  40  10.434   3.032  -3.398
  306    HA   ASP  40           HA       ASP  40   7.753   3.715  -4.501
  307   1HB   ASP  40           HB2      ASP  40  10.281   5.337  -4.883
  308   2HB   ASP  40           HB1      ASP  40   8.822   5.548  -5.848
  309    H    GLY  41           HN       GLY  41   7.398   2.204  -5.997
  310   1HA   GLY  41           HA2      GLY  41   9.209   1.873  -8.240
  311   2HA   GLY  41           HA1      GLY  41   9.230   0.468  -7.178
  312    H    GLU  42           HN       GLU  42   7.684  -1.035  -7.454
  313    HA   GLU  42           HA       GLU  42   5.519  -0.442  -9.412
  314   1HB   GLU  42           HB2      GLU  42   6.046  -3.163  -8.296
  315   2HB   GLU  42           HB1      GLU  42   5.469  -2.716  -9.896
  316   1HG   GLU  42           HG2      GLU  42   7.867  -1.530 -10.019
  317   2HG   GLU  42           HG1      GLU  42   8.267  -2.770  -8.833
  318    CH2  TRP  43           CH2      TRP  43   2.045   2.565  -2.217
  319    H    TRP  43           HN       TRP  43   3.348  -0.864  -8.928
  320    HA   TRP  43           HA       TRP  43   2.741  -1.319  -6.026
  321   1HB   TRP  43           HB2      TRP  43   1.698   0.742  -7.942
  322   2HB   TRP  43           HB1      TRP  43   0.720   0.233  -6.576
  323    HD1  TRP  43           HD1      TRP  43   4.279   1.539  -7.318
  324    HE1  TRP  43           HE1      TRP  43   4.985   2.884  -5.284
  325    HE3  TRP  43           HE3      TRP  43   0.335   0.676  -4.408
  326    HZ2  TRP  43           HZ2      TRP  43   3.945   3.466  -2.574
  327    HZ3  TRP  43           HZ3      TRP  43   0.168   1.555  -2.131
  328    HH2  TRP  43           HH2      TRP  43   1.970   2.948  -1.211
  329    H    THR  44           HN       THR  44   1.185  -2.770  -5.578
  330    HA   THR  44           HA       THR  44  -0.430  -3.831  -7.875
  331    HB   THR  44           HB       THR  44  -0.246  -6.094  -6.627
  332    HG1  THR  44           HG1      THR  44   0.550  -4.806  -4.752
  333   1HG2  THR  44          HG21      THR  44   1.596  -4.834  -8.417
  334   2HG2  THR  44          HG23      THR  44   2.556  -5.598  -7.154
  335   3HG2  THR  44          HG22      THR  44   1.432  -6.560  -8.108
  336    OH   TYR  45           OH       TYR  45  -9.022  -1.558  -3.102
  337    H    TYR  45           HN       TYR  45  -2.436  -4.846  -7.283
  338    HA   TYR  45           HA       TYR  45  -3.575  -3.928  -4.667
  339   1HB   TYR  45           HB2      TYR  45  -4.194  -2.531  -6.767
  340   2HB   TYR  45           HB1      TYR  45  -5.140  -3.936  -7.263
  341    HD1  TYR  45           HD1      TYR  45  -6.604  -4.879  -4.963
  342    HD2  TYR  45           HD2      TYR  45  -5.527  -0.874  -5.877
  343    HE1  TYR  45           HE1      TYR  45  -8.388  -4.068  -3.513
  344    HE2  TYR  45           HE2      TYR  45  -7.354  -0.064  -4.469
  345    HH   TYR  45           HH       TYR  45  -8.794  -0.677  -2.799
  346    H    ASP  46           HN       ASP  46  -4.549  -5.550  -3.583
  347    HA   ASP  46           HA       ASP  46  -5.105  -8.089  -5.064
  348   1HB   ASP  46           HB2      ASP  46  -3.477  -7.921  -3.011
  349   2HB   ASP  46           HB1      ASP  46  -4.965  -7.915  -2.070
  350    H    ASP  47           HN       ASP  47  -7.167  -7.190  -5.782
  351    HA   ASP  47           HA       ASP  47  -9.214  -6.412  -3.905
  352   1HB   ASP  47           HB2      ASP  47  -9.438  -5.711  -6.196
  353   2HB   ASP  47           HB1      ASP  47  -9.335  -7.372  -6.774
  354    H    ALA  48           HN       ALA  48  -7.748  -9.306  -4.252
  355    HA   ALA  48           HA       ALA  48 -10.078 -11.065  -4.131
  356   1HB   ALA  48           HB1      ALA  48  -7.599 -11.550  -4.926
  357   2HB   ALA  48           HB3      ALA  48  -7.364 -11.940  -3.225
  358   3HB   ALA  48           HB2      ALA  48  -8.560 -12.818  -4.171
  359    H    THR  49           HN       THR  49  -8.132  -9.323  -1.859
  360    HA   THR  49           HA       THR  49  -9.872 -10.303   0.320
  361    HB   THR  49           HB       THR  49  -7.799 -10.782   1.761
  362    HG1  THR  49           HG1      THR  49  -5.919 -11.050   0.477
  363   1HG2  THR  49          HG21      THR  49  -9.134 -12.577   0.381
  364   2HG2  THR  49          HG23      THR  49  -7.779 -12.486  -0.738
  365   3HG2  THR  49          HG22      THR  49  -7.512 -12.994   0.926
  366    H    LYS  50           HN       LYS  50  -9.112  -7.735  -1.152
  367    HA   LYS  50           HA       LYS  50  -8.786  -5.478  -0.582
  368   1HB   LYS  50           HB2      LYS  50  -9.711  -6.444   2.137
  369   2HB   LYS  50           HB1      LYS  50  -9.750  -4.784   1.554
  370   1HG   LYS  50           HG2      LYS  50 -11.039  -6.499  -0.375
  371   2HG   LYS  50           HG1      LYS  50 -11.743  -6.782   1.212
  372   1HD   LYS  50           HD2      LYS  50 -12.202  -4.408   1.493
  373   2HD   LYS  50           HD1      LYS  50 -11.340  -4.025   0.006
  374   1HE   LYS  50           HE2      LYS  50 -13.600  -5.994  -0.114
  375   2HE   LYS  50           HE1      LYS  50 -13.984  -4.282   0.003
  376   1HZ   LYS  50           HZ1      LYS  50 -12.033  -5.226  -1.985
  377   2HZ   LYS  50           HZ3      LYS  50 -13.697  -5.346  -2.299
  378   3HZ   LYS  50           HZ2      LYS  50 -12.996  -3.827  -2.006
  379    H    THR  51           HN       THR  51  -6.459  -6.460  -0.785
  380    HA   THR  51           HA       THR  51  -4.946  -5.495   1.600
  381    HB   THR  51           HB       THR  51  -4.580  -8.193   0.215
  382    HG1  THR  51           HG1      THR  51  -5.612  -7.120   2.541
  383   1HG2  THR  51          HG21      THR  51  -2.491  -6.629   1.310
  384   2HG2  THR  51          HG23      THR  51  -2.978  -7.705   2.607
  385   3HG2  THR  51          HG22      THR  51  -2.463  -8.363   1.060
  386    H    PHE  52           HN       PHE  52  -3.702  -3.858   0.819
  387    HA   PHE  52           HA       PHE  52  -3.018  -3.722  -2.018
  388   1HB   PHE  52           HB2      PHE  52  -2.993  -1.928   0.264
  389   2HB   PHE  52           HB1      PHE  52  -1.514  -1.804  -0.678
  390    HD1  PHE  52           HD1      PHE  52  -1.598  -1.108  -3.064
  391    HD2  PHE  52           HD2      PHE  52  -5.134  -1.370  -0.744
  392    HE1  PHE  52           HE1      PHE  52  -2.844   0.133  -4.789
  393    HE2  PHE  52           HE2      PHE  52  -6.333  -0.021  -2.369
  394    HZ   PHE  52           HZ       PHE  52  -5.177   0.789  -4.370
  395    H    THR  53           HN       THR  53  -0.708  -3.388  -2.671
  396    HA   THR  53           HA       THR  53   1.352  -4.421  -0.869
  397    HB   THR  53           HB       THR  53   0.480  -6.055  -3.281
  398    HG1  THR  53           HG1      THR  53  -0.729  -6.397  -1.426
  399   1HG2  THR  53          HG21      THR  53   2.953  -6.036  -1.576
  400   2HG2  THR  53          HG23      THR  53   2.258  -7.602  -1.987
  401   3HG2  THR  53          HG22      THR  53   2.782  -6.508  -3.264
  402    H    VAL  54           HN       VAL  54   3.301  -3.621  -1.420
  403    HA   VAL  54           HA       VAL  54   3.677  -2.604  -4.203
  404    HB   VAL  54           HB       VAL  54   2.993  -0.743  -2.622
  405   1HG1  VAL  54          HG13      VAL  54   4.257  -1.800  -0.682
  406   2HG1  VAL  54          HG12      VAL  54   5.734  -1.183  -1.416
  407   3HG1  VAL  54          HG11      VAL  54   4.482  -0.070  -0.879
  408   1HG2  VAL  54          HG23      VAL  54   5.733  -0.726  -3.911
  409   2HG2  VAL  54          HG22      VAL  54   4.230  -0.105  -4.569
  410   3HG2  VAL  54          HG21      VAL  54   5.001   0.717  -3.225
  411    H    THR  55           HN       THR  55   5.842  -2.599  -4.882
  412    HA   THR  55           HA       THR  55   7.851  -3.773  -3.018
  413    HB   THR  55           HB       THR  55   7.256  -4.908  -5.786
  414    HG1  THR  55           HG1      THR  55   5.853  -5.960  -4.598
  415   1HG2  THR  55          HG21      THR  55   9.452  -5.255  -3.807
  416   2HG2  THR  55          HG23      THR  55   8.712  -6.751  -4.371
  417   3HG2  THR  55          HG22      THR  55   9.434  -5.637  -5.523
  418    H    GLU  56           HN       GLU  56   9.525  -2.379  -3.068
  419    HA   GLU  56           HA       GLU  56   9.946  -0.410  -5.080
  420   1HB   GLU  56           HB2      GLU  56  11.072  -0.988  -2.626
  421   2HB   GLU  56           HB1      GLU  56  12.398  -1.296  -3.742
  422   1HG   GLU  56           HG2      GLU  56  11.832   0.961  -4.817
  423   2HG   GLU  56           HG1      GLU  56  10.800   1.257  -3.423
   
  Start of MODEL          11
 Raw file had 423 H/Q atoms
  Entry Start of MODEL   11
    1   1H    MET   1           HT3      MET   1 -13.915   2.059   4.788
    2   2H    MET   1           HT2      MET   1 -13.805   2.357   3.120
    3   3H    MET   1           HT1      MET   1 -15.132   1.503   3.745
    4    HA   MET   1           HA       MET   1 -13.800  -0.356   4.309
    5   1HB   MET   1           HB2      MET   1 -12.473  -0.008   1.750
    6   2HB   MET   1           HB1      MET   1 -13.761  -1.123   2.188
    7   1HG   MET   1           HG2      MET   1 -14.104   1.788   1.440
    8   2HG   MET   1           HG1      MET   1 -14.458   0.431   0.408
    9   1HE   MET   1           HE3      MET   1 -16.255  -1.410   1.019
   10   2HE   MET   1           HE2      MET   1 -17.848  -0.653   1.062
   11   3HE   MET   1           HE1      MET   1 -16.664  -0.149  -0.144
   12    H    THR   2           HN       THR   2 -11.681  -1.353   4.363
   13    HA   THR   2           HA       THR   2  -9.398   0.557   4.383
   14    HB   THR   2           HB       THR   2  -9.873  -1.390   6.668
   15    HG1  THR   2           HG1      THR   2 -10.653   1.270   6.118
   16   1HG2  THR   2          HG23      THR   2  -7.577  -0.072   5.992
   17   2HG2  THR   2          HG22      THR   2  -8.391   1.183   6.919
   18   3HG2  THR   2          HG21      THR   2  -8.042  -0.375   7.662
   19    OH   TYR   3           OH       TYR   3 -11.534   0.267  -1.098
   20    H    TYR   3           HN       TYR   3  -7.782  -0.264   3.224
   21    HA   TYR   3           HA       TYR   3  -7.708  -3.217   2.783
   22   1HB   TYR   3           HB2      TYR   3  -6.068  -1.194   1.277
   23   2HB   TYR   3           HB1      TYR   3  -6.561  -2.800   0.766
   24    HD1  TYR   3           HD1      TYR   3  -7.932   0.568   1.627
   25    HD2  TYR   3           HD2      TYR   3  -8.574  -3.091  -0.434
   26    HE1  TYR   3           HE1      TYR   3  -9.949   1.504   0.593
   27    HE2  TYR   3           HE2      TYR   3 -10.587  -2.156  -1.474
   28    HH   TYR   3           HH       TYR   3 -12.241  -0.376  -1.011
   29    H    LYS   4           HN       LYS   4  -5.608  -4.278   2.805
   30    HA   LYS   4           HA       LYS   4  -3.832  -3.093   4.897
   31   1HB   LYS   4           HB2      LYS   4  -5.027  -5.489   4.954
   32   2HB   LYS   4           HB1      LYS   4  -3.601  -5.946   4.037
   33   1HG   LYS   4           HG2      LYS   4  -2.364  -4.549   5.956
   34   2HG   LYS   4           HG1      LYS   4  -3.804  -4.997   6.863
   35   1HD   LYS   4           HD2      LYS   4  -3.423  -7.378   6.269
   36   2HD   LYS   4           HD1      LYS   4  -1.960  -6.917   5.405
   37   1HE   LYS   4           HE2      LYS   4  -1.239  -7.612   7.582
   38   2HE   LYS   4           HE1      LYS   4  -1.162  -5.854   7.591
   39   1HZ   LYS   4           HZ1      LYS   4  -3.720  -6.483   8.374
   40   2HZ   LYS   4           HZ3      LYS   4  -2.725  -7.586   9.198
   41   3HZ   LYS   4           HZ2      LYS   4  -2.458  -5.916   9.359
   42    H    LEU   5           HN       LEU   5  -1.932  -2.302   4.216
   43    HA   LEU   5           HA       LEU   5  -0.980  -2.994   1.511
   44   1HB   LEU   5           HB2      LEU   5  -0.886  -0.652   2.038
   45   2HB   LEU   5           HB1      LEU   5  -0.123  -0.956   3.589
   46    HG   LEU   5           HG       LEU   5   1.929  -1.804   2.314
   47   1HD1  LEU   5          HD13      LEU   5   0.436  -0.596  -0.036
   48   2HD1  LEU   5          HD12      LEU   5   2.091  -1.186  -0.068
   49   3HD1  LEU   5          HD11      LEU   5   0.764  -2.311   0.170
   50   1HD2  LEU   5          HD21      LEU   5   1.573   0.581   3.186
   51   2HD2  LEU   5          HD23      LEU   5   2.780   0.376   1.921
   52   3HD2  LEU   5          HD22      LEU   5   1.189   1.007   1.524
   53    H    ILE   6           HN       ILE   6   1.127  -3.801   1.109
   54    HA   ILE   6           HA       ILE   6   2.555  -5.000   3.398
   55    HB   ILE   6           HB       ILE   6   2.108  -6.416   0.763
   56   1HG1  ILE   6          HG12      ILE   6   0.672  -6.619   3.426
   57   2HG1  ILE   6          HG11      ILE   6  -0.037  -6.310   1.846
   58   1HG2  ILE   6          HG21      ILE   6   4.164  -6.915   2.252
   59   2HG2  ILE   6          HG23      ILE   6   3.013  -7.574   3.407
   60   3HG2  ILE   6          HG22      ILE   6   3.157  -8.285   1.803
   61   1HD1  ILE   6           HD3      ILE   6   0.925  -8.616   1.168
   62   2HD1  ILE   6           HD2      ILE   6   1.143  -8.890   2.894
   63   3HD1  ILE   6           HD1      ILE   6  -0.466  -8.615   2.244
   64    H    LEU   7           HN       LEU   7   4.384  -3.823   3.406
   65    HA   LEU   7           HA       LEU   7   5.556  -2.805   0.937
   66   1HB   LEU   7           HB2      LEU   7   6.329  -2.675   3.834
   67   2HB   LEU   7           HB1      LEU   7   7.411  -2.090   2.578
   68    HG   LEU   7           HG       LEU   7   4.587  -1.191   2.365
   69   1HD1  LEU   7          HD12      LEU   7   6.461  -0.203   4.546
   70   2HD1  LEU   7          HD11      LEU   7   4.950   0.577   4.087
   71   3HD1  LEU   7          HD13      LEU   7   4.929  -1.034   4.798
   72   1HD2  LEU   7          HD21      LEU   7   6.691  -0.538   0.964
   73   2HD2  LEU   7          HD23      LEU   7   5.603   0.749   1.477
   74   3HD2  LEU   7          HD22      LEU   7   7.108   0.470   2.347
   75    H    ASN   8           HN       ASN   8   6.869  -3.891  -0.352
   76    HA   ASN   8           HA       ASN   8   8.428  -6.173   0.802
   77   1HB   ASN   8           HB2      ASN   8   6.803  -5.849  -1.587
   78   2HB   ASN   8           HB1      ASN   8   8.418  -6.376  -2.006
   79   1HD2  ASN   8          HD22      ASN   8   5.968  -9.135  -0.843
   80   2HD2  ASN   8          HD21      ASN   8   5.606  -7.722  -1.697
   81    H    GLY   9           HN       GLY   9   9.408  -3.591   1.134
   82   1HA   GLY   9           HA2      GLY   9  11.066  -2.542  -0.875
   83   2HA   GLY   9           HA1      GLY   9  11.445  -2.428   0.836
   84    H    LYS  10           HN       LYS  10  13.220  -2.865  -1.462
   85    HA   LYS  10           HA       LYS  10  14.069  -5.566  -1.689
   86   1HB   LYS  10           HB2      LYS  10  16.360  -4.429  -2.195
   87   2HB   LYS  10           HB1      LYS  10  15.006  -4.118  -3.274
   88   1HG   LYS  10           HG2      LYS  10  14.797  -1.936  -2.596
   89   2HG   LYS  10           HG1      LYS  10  15.224  -2.308  -0.930
   90   1HD   LYS  10           HD2      LYS  10  17.592  -2.533  -1.565
   91   2HD   LYS  10           HD1      LYS  10  17.182  -2.220  -3.248
   92   1HE   LYS  10           HE2      LYS  10  16.915   0.027  -2.900
   93   2HE   LYS  10           HE1      LYS  10  16.198  -0.203  -1.311
   94   1HZ   LYS  10           HZ1      LYS  10  18.829  -1.037  -1.122
   95   2HZ   LYS  10           HZ3      LYS  10  18.859   0.432  -1.975
   96   3HZ   LYS  10           HZ2      LYS  10  18.132   0.354  -0.443
   97    H    THR  11           HN       THR  11  14.867  -3.076   0.657
   98    HA   THR  11           HA       THR  11  16.271  -5.150   2.286
   99    HB   THR  11           HB       THR  11  17.465  -2.912   3.175
  100    HG1  THR  11           HG1      THR  11  15.993  -1.822   1.616
  101   1HG2  THR  11          HG21      THR  11  18.037  -4.615   0.768
  102   2HG2  THR  11          HG23      THR  11  18.994  -3.154   0.991
  103   3HG2  THR  11          HG22      THR  11  19.005  -4.410   2.225
  104    H    LEU  12           HN       LEU  12  13.504  -3.564   2.076
  105    HA   LEU  12           HA       LEU  12  13.203  -3.451   5.037
  106   1HB   LEU  12           HB2      LEU  12  13.716  -1.139   4.006
  107   2HB   LEU  12           HB1      LEU  12  12.099  -1.235   3.318
  108    HG   LEU  12           HG       LEU  12  11.528  -1.939   5.865
  109   1HD1  LEU  12          HD13      LEU  12  13.907  -1.687   6.560
  110   2HD1  LEU  12          HD12      LEU  12  13.861  -0.001   6.056
  111   3HD1  LEU  12          HD11      LEU  12  12.861  -0.545   7.400
  112   1HD2  LEU  12          HD22      LEU  12  11.803   0.800   4.607
  113   2HD2  LEU  12          HD21      LEU  12  10.341  -0.163   4.806
  114   3HD2  LEU  12          HD23      LEU  12  11.099   0.587   6.207
  115    H    LYS  13           HN       LYS  13  11.232  -4.129   5.742
  116    HA   LYS  13           HA       LYS  13   9.050  -4.443   3.734
  117   1HB   LYS  13           HB2      LYS  13   9.957  -6.614   5.643
  118   2HB   LYS  13           HB1      LYS  13   8.589  -6.723   4.550
  119   1HG   LYS  13           HG2      LYS  13  10.139  -7.686   3.160
  120   2HG   LYS  13           HG1      LYS  13  10.530  -6.014   2.792
  121   1HD   LYS  13           HD2      LYS  13  12.634  -6.921   3.338
  122   2HD   LYS  13           HD1      LYS  13  12.133  -6.181   4.852
  123   1HE   LYS  13           HE2      LYS  13  12.596  -8.245   5.722
  124   2HE   LYS  13           HE1      LYS  13  10.995  -8.646   5.114
  125   1HZ   LYS  13           HZ2      LYS  13  12.857  -8.886   3.027
  126   2HZ   LYS  13           HZ1      LYS  13  13.432  -9.751   4.371
  127   3HZ   LYS  13           HZ3      LYS  13  11.894 -10.092   3.737
  128    H    GLY  14           HN       GLY  14   6.985  -4.240   4.583
  129   1HA   GLY  14           HA2      GLY  14   6.567  -4.153   7.480
  130   2HA   GLY  14           HA1      GLY  14   6.458  -2.578   6.702
  131    H    GLU  15           HN       GLU  15   4.217  -2.683   7.524
  132    HA   GLU  15           HA       GLU  15   2.373  -3.353   5.447
  133   1HB   GLU  15           HB2      GLU  15   1.127  -5.111   6.923
  134   2HB   GLU  15           HB1      GLU  15   2.509  -5.634   5.965
  135   1HG   GLU  15           HG2      GLU  15   3.880  -5.864   7.818
  136   2HG   GLU  15           HG1      GLU  15   3.054  -4.594   8.716
  137    H    THR  16           HN       THR  16   0.667  -2.037   5.714
  138    HA   THR  16           HA       THR  16  -0.300  -1.419   8.438
  139    HB   THR  16           HB       THR  16   1.326   0.370   8.201
  140    HG1  THR  16           HG1      THR  16  -1.085   1.468   7.233
  141   1HG2  THR  16          HG21      THR  16   0.850   0.097   5.432
  142   2HG2  THR  16          HG23      THR  16   0.170   1.663   5.856
  143   3HG2  THR  16          HG22      THR  16   1.863   1.318   6.192
  144    H    THR  17           HN       THR  17  -2.413  -0.523   8.466
  145    HA   THR  17           HA       THR  17  -3.890  -0.949   5.900
  146    HB   THR  17           HB       THR  17  -5.766  -1.650   7.193
  147    HG1  THR  17           HG1      THR  17  -6.110  -0.712   9.105
  148   1HG2  THR  17          HG22      THR  17  -3.359  -2.893   7.756
  149   2HG2  THR  17          HG21      THR  17  -3.881  -2.385   9.358
  150   3HG2  THR  17          HG23      THR  17  -4.912  -3.430   8.386
  151    H    THR  18           HN       THR  18  -5.062   0.666   5.019
  152    HA   THR  18           HA       THR  18  -5.262   3.236   6.551
  153    HB   THR  18           HB       THR  18  -3.675   3.117   4.445
  154    HG1  THR  18           HG1      THR  18  -5.768   4.932   5.047
  155   1HG2  THR  18          HG21      THR  18  -5.724   2.121   3.083
  156   2HG2  THR  18          HG23      THR  18  -6.269   3.794   3.061
  157   3HG2  THR  18          HG22      THR  18  -4.722   3.360   2.339
  158    H    GLU  19           HN       GLU  19  -7.203   4.318   6.483
  159    HA   GLU  19           HA       GLU  19  -9.508   2.726   5.551
  160   1HB   GLU  19           HB2      GLU  19  -9.313   3.981   7.815
  161   2HB   GLU  19           HB1      GLU  19  -9.684   5.422   6.875
  162   1HG   GLU  19           HG2      GLU  19 -11.750   4.351   6.037
  163   2HG   GLU  19           HG1      GLU  19 -11.376   2.900   6.964
  164    H    ALA  20           HN       ALA  20  -9.416   2.940   3.310
  165    HA   ALA  20           HA       ALA  20  -9.737   5.709   2.226
  166   1HB   ALA  20           HB3      ALA  20  -8.485   3.221   1.208
  167   2HB   ALA  20           HB2      ALA  20  -9.348   4.194   0.021
  168   3HB   ALA  20           HB1      ALA  20  -8.024   4.899   0.944
  169    H    VAL  21           HN       VAL  21 -11.318   6.003   0.507
  170    HA   VAL  21           HA       VAL  21 -13.739   4.362   1.018
  171    HB   VAL  21           HB       VAL  21 -13.666   6.955   1.039
  172   1HG1  VAL  21          HG13      VAL  21 -12.482   6.812  -1.311
  173   2HG1  VAL  21          HG12      VAL  21 -14.125   6.640  -1.918
  174   3HG1  VAL  21          HG11      VAL  21 -13.665   8.082  -1.017
  175   1HG2  VAL  21          HG21      VAL  21 -15.696   5.370  -0.568
  176   2HG2  VAL  21          HG23      VAL  21 -15.761   5.724   1.156
  177   3HG2  VAL  21          HG22      VAL  21 -15.957   7.023  -0.018
  178    H    ASP  22           HN       ASP  22 -11.384   5.014  -1.436
  179    HA   ASP  22           HA       ASP  22 -12.714   3.002  -3.176
  180   1HB   ASP  22           HB2      ASP  22 -12.019   4.549  -5.150
  181   2HB   ASP  22           HB1      ASP  22 -13.482   4.946  -4.251
  182    H    ALA  23           HN       ALA  23 -11.164   2.528  -5.110
  183    HA   ALA  23           HA       ALA  23  -8.638   1.687  -3.937
  184   1HB   ALA  23           HB1      ALA  23  -9.943   1.404  -6.624
  185   2HB   ALA  23           HB3      ALA  23  -8.234   1.022  -6.445
  186   3HB   ALA  23           HB2      ALA  23  -9.435   0.148  -5.500
  187    H    ALA  24           HN       ALA  24  -9.671   4.201  -6.161
  188    HA   ALA  24           HA       ALA  24  -7.108   5.007  -7.100
  189   1HB   ALA  24           HB1      ALA  24  -9.568   6.705  -6.600
  190   2HB   ALA  24           HB3      ALA  24  -8.189   7.179  -7.586
  191   3HB   ALA  24           HB2      ALA  24  -9.207   5.832  -8.086
  192    H    THR  25           HN       THR  25  -9.038   6.482  -4.488
  193    HA   THR  25           HA       THR  25  -6.964   8.181  -3.542
  194    HB   THR  25           HB       THR  25  -9.498   8.186  -2.893
  195    HG1  THR  25           HG1      THR  25  -8.393   9.659  -1.814
  196   1HG2  THR  25          HG21      THR  25  -9.098   5.743  -1.860
  197   2HG2  THR  25          HG23      THR  25  -8.499   6.680  -0.496
  198   3HG2  THR  25          HG22      THR  25 -10.155   6.893  -1.050
  199    H    ALA  26           HN       ALA  26  -7.593   4.793  -3.021
  200    HA   ALA  26           HA       ALA  26  -5.955   4.461  -0.682
  201   1HB   ALA  26           HB2      ALA  26  -7.603   2.770  -1.519
  202   2HB   ALA  26           HB1      ALA  26  -6.511   2.427  -2.856
  203   3HB   ALA  26           HB3      ALA  26  -6.011   2.087  -1.203
  204    H    GLU  27           HN       GLU  27  -5.288   4.331  -4.145
  205    HA   GLU  27           HA       GLU  27  -2.603   3.408  -4.000
  206   1HB   GLU  27           HB2      GLU  27  -4.211   4.970  -5.972
  207   2HB   GLU  27           HB1      GLU  27  -2.464   4.965  -6.167
  208   1HG   GLU  27           HG2      GLU  27  -2.474   2.480  -6.138
  209   2HG   GLU  27           HG1      GLU  27  -4.227   2.502  -5.970
  210    H    LYS  28           HN       LYS  28  -3.934   6.689  -3.905
  211    HA   LYS  28           HA       LYS  28  -1.324   7.941  -3.663
  212   1HB   LYS  28           HB2      LYS  28  -4.150   8.924  -3.287
  213   2HB   LYS  28           HB1      LYS  28  -2.758   9.958  -2.988
  214   1HG   LYS  28           HG2      LYS  28  -2.177  10.055  -5.221
  215   2HG   LYS  28           HG1      LYS  28  -2.791   8.440  -5.559
  216   1HD   LYS  28           HD2      LYS  28  -4.181  10.269  -6.585
  217   2HD   LYS  28           HD1      LYS  28  -5.089   9.240  -5.483
  218   1HE   LYS  28           HE2      LYS  28  -5.284  10.895  -3.883
  219   2HE   LYS  28           HE1      LYS  28  -3.748  11.636  -4.311
  220   1HZ   LYS  28           HZ1      LYS  28  -5.359  11.919  -6.525
  221   2HZ   LYS  28           HZ3      LYS  28  -6.354  12.287  -5.198
  222   3HZ   LYS  28           HZ2      LYS  28  -4.899  13.132  -5.429
  223    H    VAL  29           HN       VAL  29  -3.930   7.184  -1.378
  224    HA   VAL  29           HA       VAL  29  -2.833   8.386   0.927
  225    HB   VAL  29           HB       VAL  29  -4.413   5.810   0.710
  226   1HG1  VAL  29          HG12      VAL  29  -3.656   7.582   3.045
  227   2HG1  VAL  29          HG11      VAL  29  -5.054   6.512   3.105
  228   3HG1  VAL  29          HG13      VAL  29  -3.440   5.840   2.891
  229   1HG2  VAL  29          HG21      VAL  29  -5.165   8.366   0.003
  230   2HG2  VAL  29          HG23      VAL  29  -6.280   7.111   0.534
  231   3HG2  VAL  29          HG22      VAL  29  -5.671   8.293   1.688
  232    H    PHE  30           HN       PHE  30  -2.495   4.978  -0.063
  233    HA   PHE  30           HA       PHE  30  -0.530   4.364   1.924
  234   1HB   PHE  30           HB2      PHE  30  -1.430   3.075  -0.627
  235   2HB   PHE  30           HB1      PHE  30   0.048   2.498   0.132
  236    HD1  PHE  30           HD1      PHE  30  -0.248   2.275   2.865
  237    HD2  PHE  30           HD2      PHE  30  -3.370   1.924  -0.018
  238    HE1  PHE  30           HE1      PHE  30  -1.596   0.992   4.468
  239    HE2  PHE  30           HE2      PHE  30  -4.692   0.633   1.590
  240    HZ   PHE  30           HZ       PHE  30  -3.805   0.136   3.820
  241    H    LYS  31           HN       LYS  31  -0.231   5.407  -1.454
  242    HA   LYS  31           HA       LYS  31   2.586   5.181  -1.678
  243   1HB   LYS  31           HB2      LYS  31   1.149   5.699  -3.602
  244   2HB   LYS  31           HB1      LYS  31   0.765   7.266  -2.898
  245   1HG   LYS  31           HG2      LYS  31   3.650   6.781  -3.039
  246   2HG   LYS  31           HG1      LYS  31   2.882   6.750  -4.622
  247   1HD   LYS  31           HD2      LYS  31   1.832   8.936  -4.169
  248   2HD   LYS  31           HD1      LYS  31   2.562   8.964  -2.568
  249   1HE   LYS  31           HE2      LYS  31   4.107   8.835  -5.179
  250   2HE   LYS  31           HE1      LYS  31   3.876  10.292  -4.221
  251   1HZ   LYS  31           HZ2      LYS  31   4.819   8.467  -2.435
  252   2HZ   LYS  31           HZ1      LYS  31   5.714   8.142  -3.841
  253   3HZ   LYS  31           HZ3      LYS  31   5.720   9.704  -3.174
  254    H    GLN  32           HN       GLN  32   0.575   7.690  -0.269
  255    HA   GLN  32           HA       GLN  32   2.647   9.608   0.185
  256   1HB   GLN  32           HB2      GLN  32   0.143   9.983   0.404
  257   2HB   GLN  32           HB1      GLN  32   0.232   9.150   1.952
  258   1HG   GLN  32           HG2      GLN  32   0.660  11.243   2.777
  259   2HG   GLN  32           HG1      GLN  32   2.296  10.934   2.202
  260   1HE2  GLN  32          HE22      GLN  32   0.896  14.158   0.749
  261   2HE2  GLN  32          HE21      GLN  32   0.952  13.565   2.339
  262    OH   TYR  33           OH       TYR  33   4.881   2.758   8.263
  263    H    TYR  33           HN       TYR  33   1.639   6.731   1.871
  264    HA   TYR  33           HA       TYR  33   3.224   7.255   4.258
  265   1HB   TYR  33           HB2      TYR  33   1.248   5.800   4.367
  266   2HB   TYR  33           HB1      TYR  33   1.990   4.691   3.220
  267    HD1  TYR  33           HD1      TYR  33   4.083   3.463   3.865
  268    HD2  TYR  33           HD2      TYR  33   1.890   5.768   6.688
  269    HE1  TYR  33           HE1      TYR  33   5.245   2.324   5.696
  270    HE2  TYR  33           HE2      TYR  33   3.053   4.628   8.521
  271    HH   TYR  33           HH       TYR  33   5.087   3.411   8.936
  272    H    ALA  34           HN       ALA  34   3.506   4.807   1.696
  273    HA   ALA  34           HA       ALA  34   6.046   3.815   2.328
  274   1HB   ALA  34           HB2      ALA  34   4.322   3.257   0.375
  275   2HB   ALA  34           HB1      ALA  34   5.420   4.272  -0.555
  276   3HB   ALA  34           HB3      ALA  34   6.024   2.823   0.242
  277    H    ASN  35           HN       ASN  35   5.189   6.853   0.871
  278    HA   ASN  35           HA       ASN  35   7.779   7.501  -0.207
  279   1HB   ASN  35           HB2      ASN  35   5.535   8.640  -0.707
  280   2HB   ASN  35           HB1      ASN  35   5.769   9.514   0.805
  281   1HD2  ASN  35          HD22      ASN  35   8.839  11.095  -0.509
  282   2HD2  ASN  35          HD21      ASN  35   8.390  10.200   0.863
  283    H    ASP  36           HN       ASP  36   6.278   7.954   2.940
  284    HA   ASP  36           HA       ASP  36   8.421   9.610   3.989
  285   1HB   ASP  36           HB2      ASP  36   6.160   8.081   5.283
  286   2HB   ASP  36           HB1      ASP  36   7.331   9.007   6.219
  287    H    ASN  37           HN       ASN  37   8.903   6.813   2.812
  288    HA   ASN  37           HA       ASN  37  10.760   5.953   4.975
  289   1HB   ASN  37           HB2      ASN  37   8.825   4.154   3.497
  290   2HB   ASN  37           HB1      ASN  37  10.152   3.565   4.494
  291   1HD2  ASN  37          HD22      ASN  37   6.956   5.405   6.318
  292   2HD2  ASN  37          HD21      ASN  37   7.279   5.726   4.683
  293    H    GLY  38           HN       GLY  38   9.901   6.060   1.599
  294   1HA   GLY  38           HA2      GLY  38  11.593   6.351  -0.120
  295   2HA   GLY  38           HA1      GLY  38  12.746   5.518   0.919
  296    H    VAL  39           HN       VAL  39   9.471   4.685  -0.183
  297    HA   VAL  39           HA       VAL  39  10.598   2.293  -1.560
  298    HB   VAL  39           HB       VAL  39   8.297   2.268   0.411
  299   1HG1  VAL  39          HG13      VAL  39   9.119   0.462  -1.772
  300   2HG1  VAL  39          HG12      VAL  39   8.928  -0.343  -0.217
  301   3HG1  VAL  39          HG11      VAL  39   7.583   0.554  -0.914
  302   1HG2  VAL  39          HG21      VAL  39  10.554   2.311   1.444
  303   2HG2  VAL  39          HG23      VAL  39   9.777   0.749   1.682
  304   3HG2  VAL  39          HG22      VAL  39  11.027   0.933   0.456
  305    H    ASP  40           HN       ASP  40  10.135   3.337  -3.541
  306    HA   ASP  40           HA       ASP  40   7.259   3.211  -4.274
  307   1HB   ASP  40           HB2      ASP  40   8.993   5.639  -4.314
  308   2HB   ASP  40           HB1      ASP  40   7.861   5.419  -5.646
  309    H    GLY  41           HN       GLY  41   6.977   2.234  -6.185
  310   1HA   GLY  41           HA2      GLY  41   8.597   2.569  -8.492
  311   2HA   GLY  41           HA1      GLY  41   9.169   1.131  -7.649
  312    H    GLU  42           HN       GLU  42   7.604  -0.577  -7.239
  313    HA   GLU  42           HA       GLU  42   5.525  -0.690  -9.386
  314   1HB   GLU  42           HB2      GLU  42   6.950  -2.888  -7.888
  315   2HB   GLU  42           HB1      GLU  42   5.698  -3.156  -9.092
  316   1HG   GLU  42           HG2      GLU  42   7.810  -1.344 -10.032
  317   2HG   GLU  42           HG1      GLU  42   8.417  -2.948  -9.626
  318    CH2  TRP  43           CH2      TRP  43   2.114   2.605  -2.105
  319    H    TRP  43           HN       TRP  43   3.460  -0.674  -8.784
  320    HA   TRP  43           HA       TRP  43   2.813  -1.294  -5.924
  321   1HB   TRP  43           HB2      TRP  43   1.783   0.789  -7.822
  322   2HB   TRP  43           HB1      TRP  43   0.808   0.269  -6.458
  323    HD1  TRP  43           HD1      TRP  43   4.395   1.527  -7.178
  324    HE1  TRP  43           HE1      TRP  43   5.084   2.899  -5.152
  325    HE3  TRP  43           HE3      TRP  43   0.414   0.731  -4.307
  326    HZ2  TRP  43           HZ2      TRP  43   4.020   3.499  -2.449
  327    HZ3  TRP  43           HZ3      TRP  43   0.232   1.601  -2.034
  328    HH2  TRP  43           HH2      TRP  43   2.032   2.985  -1.098
  329    H    THR  44           HN       THR  44   1.313  -2.796  -5.532
  330    HA   THR  44           HA       THR  44  -0.265  -3.850  -7.854
  331    HB   THR  44           HB       THR  44  -0.172  -6.064  -6.445
  332    HG1  THR  44           HG1      THR  44   0.736  -4.671  -4.694
  333   1HG2  THR  44          HG21      THR  44   2.360  -4.882  -7.658
  334   2HG2  THR  44          HG23      THR  44   2.136  -6.585  -7.272
  335   3HG2  THR  44          HG22      THR  44   1.160  -5.831  -8.529
  336    OH   TYR  45           OH       TYR  45  -8.863  -1.398  -3.249
  337    H    TYR  45           HN       TYR  45  -2.248  -5.033  -7.155
  338    HA   TYR  45           HA       TYR  45  -3.466  -3.963  -4.653
  339   1HB   TYR  45           HB2      TYR  45  -3.976  -2.560  -6.775
  340   2HB   TYR  45           HB1      TYR  45  -4.956  -3.934  -7.288
  341    HD1  TYR  45           HD1      TYR  45  -6.488  -4.813  -4.992
  342    HD2  TYR  45           HD2      TYR  45  -5.289  -0.853  -5.954
  343    HE1  TYR  45           HE1      TYR  45  -8.288  -3.932  -3.605
  344    HE2  TYR  45           HE2      TYR  45  -7.131   0.027  -4.612
  345    HH   TYR  45           HH       TYR  45  -9.435  -0.882  -3.823
  346    H    ASP  46           HN       ASP  46  -4.458  -5.573  -3.580
  347    HA   ASP  46           HA       ASP  46  -5.087  -8.089  -5.071
  348   1HB   ASP  46           HB2      ASP  46  -3.466  -8.031  -3.043
  349   2HB   ASP  46           HB1      ASP  46  -4.926  -7.867  -2.074
  350    H    ASP  47           HN       ASP  47  -7.111  -7.078  -5.797
  351    HA   ASP  47           HA       ASP  47  -9.142  -6.277  -3.914
  352   1HB   ASP  47           HB2      ASP  47  -9.205  -5.583  -6.276
  353   2HB   ASP  47           HB1      ASP  47  -9.425  -7.260  -6.768
  354    H    ALA  48           HN       ALA  48  -7.759  -9.172  -4.183
  355    HA   ALA  48           HA       ALA  48 -10.121 -10.893  -4.213
  356   1HB   ALA  48           HB1      ALA  48  -7.524 -11.361  -4.769
  357   2HB   ALA  48           HB3      ALA  48  -7.562 -11.901  -3.094
  358   3HB   ALA  48           HB2      ALA  48  -8.636 -12.635  -4.280
  359    H    THR  49           HN       THR  49  -8.153  -9.305  -1.802
  360    HA   THR  49           HA       THR  49 -10.100 -10.166   0.261
  361    HB   THR  49           HB       THR  49  -8.129 -10.727   1.820
  362    HG1  THR  49           HG1      THR  49  -6.669 -11.186  -0.492
  363   1HG2  THR  49          HG21      THR  49  -9.475 -12.484   0.443
  364   2HG2  THR  49          HG23      THR  49  -8.121 -12.440  -0.680
  365   3HG2  THR  49          HG22      THR  49  -7.869 -12.959   0.984
  366    H    LYS  50           HN       LYS  50  -9.098  -7.656  -1.177
  367    HA   LYS  50           HA       LYS  50  -8.786  -5.404  -0.603
  368   1HB   LYS  50           HB2      LYS  50  -9.610  -6.184   2.194
  369   2HB   LYS  50           HB1      LYS  50  -9.850  -4.641   1.383
  370   1HG   LYS  50           HG2      LYS  50 -11.187  -6.115  -0.361
  371   2HG   LYS  50           HG1      LYS  50 -11.317  -7.232   0.992
  372   1HD   LYS  50           HD2      LYS  50 -12.195  -5.329   2.392
  373   2HD   LYS  50           HD1      LYS  50 -12.208  -4.332   0.942
  374   1HE   LYS  50           HE2      LYS  50 -14.387  -5.155   0.910
  375   2HE   LYS  50           HE1      LYS  50 -13.570  -6.368  -0.067
  376   1HZ   LYS  50           HZ3      LYS  50 -13.311  -7.723   1.934
  377   2HZ   LYS  50           HZ2      LYS  50 -14.178  -6.569   2.828
  378   3HZ   LYS  50           HZ1      LYS  50 -14.943  -7.420   1.573
  379    H    THR  51           HN       THR  51  -6.471  -6.333  -0.832
  380    HA   THR  51           HA       THR  51  -4.959  -5.432   1.571
  381    HB   THR  51           HB       THR  51  -4.754  -8.155   0.240
  382    HG1  THR  51           HG1      THR  51  -5.496  -6.954   2.576
  383   1HG2  THR  51          HG22      THR  51  -2.705  -6.817   2.053
  384   2HG2  THR  51          HG21      THR  51  -2.697  -8.509   1.582
  385   3HG2  THR  51          HG23      THR  51  -2.414  -7.261   0.375
  386    H    PHE  52           HN       PHE  52  -3.693  -3.800   0.820
  387    HA   PHE  52           HA       PHE  52  -2.977  -3.656  -2.010
  388   1HB   PHE  52           HB2      PHE  52  -3.010  -1.866   0.260
  389   2HB   PHE  52           HB1      PHE  52  -1.486  -1.755  -0.609
  390    HD1  PHE  52           HD1      PHE  52  -1.465  -1.117  -3.029
  391    HD2  PHE  52           HD2      PHE  52  -5.075  -1.229  -0.807
  392    HE1  PHE  52           HE1      PHE  52  -2.622   0.130  -4.813
  393    HE2  PHE  52           HE2      PHE  52  -6.180   0.136  -2.494
  394    HZ   PHE  52           HZ       PHE  52  -4.945   0.857  -4.482
  395    H    THR  53           HN       THR  53  -0.658  -3.322  -2.639
  396    HA   THR  53           HA       THR  53   1.385  -4.360  -0.822
  397    HB   THR  53           HB       THR  53   0.529  -5.986  -3.247
  398    HG1  THR  53           HG1      THR  53   0.456  -6.142  -0.427
  399   1HG2  THR  53          HG21      THR  53   2.962  -6.044  -1.455
  400   2HG2  THR  53          HG23      THR  53   2.308  -7.554  -2.082
  401   3HG2  THR  53          HG22      THR  53   2.882  -6.315  -3.193
  402    H    VAL  54           HN       VAL  54   3.417  -3.721  -1.438
  403    HA   VAL  54           HA       VAL  54   3.767  -2.648  -4.193
  404    HB   VAL  54           HB       VAL  54   3.072  -0.768  -2.661
  405   1HG1  VAL  54          HG12      VAL  54   4.260  -1.813  -0.675
  406   2HG1  VAL  54          HG11      VAL  54   5.767  -1.222  -1.366
  407   3HG1  VAL  54          HG13      VAL  54   4.514  -0.087  -0.879
  408   1HG2  VAL  54          HG22      VAL  54   5.868  -0.750  -3.831
  409   2HG2  VAL  54          HG21      VAL  54   4.389  -0.182  -4.590
  410   3HG2  VAL  54          HG23      VAL  54   5.071   0.692  -3.226
  411    H    THR  55           HN       THR  55   5.946  -2.611  -4.856
  412    HA   THR  55           HA       THR  55   7.949  -3.762  -2.977
  413    HB   THR  55           HB       THR  55   7.353  -4.959  -5.718
  414    HG1  THR  55           HG1      THR  55   5.821  -5.605  -4.281
  415   1HG2  THR  55          HG22      THR  55   9.541  -5.272  -3.723
  416   2HG2  THR  55          HG21      THR  55   8.801  -6.773  -4.268
  417   3HG2  THR  55          HG23      THR  55   9.532  -5.679  -5.433
  418    H    GLU  56           HN       GLU  56   9.673  -2.434  -3.081
  419    HA   GLU  56           HA       GLU  56  10.060  -0.470  -5.115
  420   1HB   GLU  56           HB2      GLU  56  11.239  -1.069  -2.670
  421   2HB   GLU  56           HB1      GLU  56  12.542  -1.299  -3.828
  422   1HG   GLU  56           HG2      GLU  56  10.789   1.173  -3.606
  423   2HG   GLU  56           HG1      GLU  56  12.462   1.052  -3.071
   
  Start of MODEL          12
 Raw file had 423 H/Q atoms
  Entry Start of MODEL   12
    1   1H    MET   1           HT2      MET   1 -13.612   2.344   3.617
    2   2H    MET   1           HT1      MET   1 -13.242   1.713   2.084
    3   3H    MET   1           HT3      MET   1 -14.756   1.404   2.786
    4    HA   MET   1           HA       MET   1 -13.740   0.103   4.524
    5   1HB   MET   1           HB2      MET   1 -12.636  -0.790   1.854
    6   2HB   MET   1           HB1      MET   1 -13.101  -1.806   3.214
    7   1HG   MET   1           HG2      MET   1 -14.941  -0.067   1.560
    8   2HG   MET   1           HG1      MET   1 -14.830  -1.805   1.473
    9   1HE   MET   1           HE3      MET   1 -17.206  -2.042   1.448
   10   2HE   MET   1           HE2      MET   1 -16.540  -3.297   2.491
   11   3HE   MET   1           HE1      MET   1 -18.026  -2.466   2.951
   12    H    THR   2           HN       THR   2 -11.629  -1.281   4.811
   13    HA   THR   2           HA       THR   2  -9.280   0.567   4.586
   14    HB   THR   2           HB       THR   2  -9.668  -1.381   6.879
   15    HG1  THR   2           HG1      THR   2 -11.361  -0.042   7.112
   16   1HG2  THR   2          HG22      THR   2  -7.469   0.065   6.212
   17   2HG2  THR   2          HG21      THR   2  -8.370   1.303   7.078
   18   3HG2  THR   2          HG23      THR   2  -7.937  -0.199   7.888
   19    OH   TYR   3           OH       TYR   3 -11.664  -0.074  -0.991
   20    H    TYR   3           HN       TYR   3  -7.779  -0.266   3.289
   21    HA   TYR   3           HA       TYR   3  -7.676  -3.220   2.929
   22   1HB   TYR   3           HB2      TYR   3  -6.107  -1.176   1.362
   23   2HB   TYR   3           HB1      TYR   3  -6.517  -2.819   0.895
   24    HD1  TYR   3           HD1      TYR   3  -8.043   0.498   1.664
   25    HD2  TYR   3           HD2      TYR   3  -8.537  -3.260  -0.259
   26    HE1  TYR   3           HE1      TYR   3 -10.115   1.301   0.625
   27    HE2  TYR   3           HE2      TYR   3 -10.605  -2.458  -1.299
   28    HH   TYR   3           HH       TYR   3 -12.137  -0.833  -1.337
   29    H    LYS   4           HN       LYS   4  -5.511  -4.223   2.801
   30    HA   LYS   4           HA       LYS   4  -3.719  -3.065   4.896
   31   1HB   LYS   4           HB2      LYS   4  -4.892  -5.471   4.955
   32   2HB   LYS   4           HB1      LYS   4  -3.485  -5.903   4.000
   33   1HG   LYS   4           HG2      LYS   4  -2.222  -4.509   5.914
   34   2HG   LYS   4           HG1      LYS   4  -3.628  -5.015   6.845
   35   1HD   LYS   4           HD2      LYS   4  -3.192  -7.379   6.065
   36   2HD   LYS   4           HD1      LYS   4  -1.691  -6.806   5.349
   37   1HE   LYS   4           HE2      LYS   4  -1.384  -7.760   7.654
   38   2HE   LYS   4           HE1      LYS   4  -0.863  -6.084   7.524
   39   1HZ   LYS   4           HZ3      LYS   4  -3.543  -6.899   8.487
   40   2HZ   LYS   4           HZ2      LYS   4  -2.225  -6.595   9.513
   41   3HZ   LYS   4           HZ1      LYS   4  -2.855  -5.349   8.546
   42    H    LEU   5           HN       LEU   5  -1.828  -2.272   4.195
   43    HA   LEU   5           HA       LEU   5  -0.950  -2.913   1.457
   44   1HB   LEU   5           HB2      LEU   5  -0.817  -0.581   2.045
   45   2HB   LEU   5           HB1      LEU   5   0.002  -0.936   3.558
   46    HG   LEU   5           HG       LEU   5   1.990  -1.780   2.196
   47   1HD1  LEU   5          HD12      LEU   5   0.384  -0.562  -0.074
   48   2HD1  LEU   5          HD11      LEU   5   2.061  -1.077  -0.188
   49   3HD1  LEU   5          HD13      LEU   5   0.796  -2.264   0.088
   50   1HD2  LEU   5          HD21      LEU   5   1.736   0.573   3.124
   51   2HD2  LEU   5          HD23      LEU   5   2.832   0.413   1.756
   52   3HD2  LEU   5          HD22      LEU   5   1.214   1.056   1.515
   53    H    ILE   6           HN       ILE   6   1.068  -3.816   0.977
   54    HA   ILE   6           HA       ILE   6   2.500  -5.131   3.210
   55    HB   ILE   6           HB       ILE   6   1.715  -6.205   0.512
   56   1HG1  ILE   6          HG12      ILE   6   1.629  -7.404   3.308
   57   2HG1  ILE   6          HG11      ILE   6   0.276  -6.565   2.562
   58   1HG2  ILE   6          HG21      ILE   6   4.048  -6.968   2.273
   59   2HG2  ILE   6          HG23      ILE   6   3.281  -8.168   1.240
   60   3HG2  ILE   6          HG22      ILE   6   4.020  -6.741   0.528
   61   1HD1  ILE   6           HD2      ILE   6   1.040  -8.411   0.611
   62   2HD1  ILE   6           HD1      ILE   6   1.233  -9.300   2.117
   63   3HD1  ILE   6           HD3      ILE   6  -0.321  -8.585   1.711
   64    H    LEU   7           HN       LEU   7   4.274  -3.871   3.405
   65    HA   LEU   7           HA       LEU   7   5.517  -2.652   1.064
   66   1HB   LEU   7           HB2      LEU   7   6.272  -2.692   3.982
   67   2HB   LEU   7           HB1      LEU   7   7.183  -1.822   2.755
   68    HG   LEU   7           HG       LEU   7   4.267  -1.330   2.696
   69   1HD1  LEU   7          HD11      LEU   7   5.993  -0.464   5.041
   70   2HD1  LEU   7          HD13      LEU   7   4.431   0.251   4.653
   71   3HD1  LEU   7          HD12      LEU   7   4.532  -1.444   5.114
   72   1HD2  LEU   7          HD21      LEU   7   5.941  -0.112   1.316
   73   2HD2  LEU   7          HD23      LEU   7   5.068   0.981   2.385
   74   3HD2  LEU   7          HD22      LEU   7   6.707   0.480   2.787
   75    H    ASN   8           HN       ASN   8   6.670  -3.912  -0.272
   76    HA   ASN   8           HA       ASN   8   8.422  -6.005   0.938
   77   1HB   ASN   8           HB2      ASN   8   6.917  -5.730  -1.570
   78   2HB   ASN   8           HB1      ASN   8   8.557  -6.298  -1.816
   79   1HD2  ASN   8          HD22      ASN   8   5.876  -8.898  -0.630
   80   2HD2  ASN   8          HD21      ASN   8   5.560  -7.461  -1.462
   81    H    GLY   9           HN       GLY   9   9.219  -3.390   1.318
   82   1HA   GLY   9           HA2      GLY   9  10.838  -2.174  -0.614
   83   2HA   GLY   9           HA1      GLY   9  11.162  -2.078   1.109
   84    H    LYS  10           HN       LYS  10  12.947  -2.378  -1.265
   85    HA   LYS  10           HA       LYS  10  14.054  -5.002  -1.379
   86   1HB   LYS  10           HB2      LYS  10  14.512  -2.779  -2.785
   87   2HB   LYS  10           HB1      LYS  10  15.850  -2.632  -1.652
   88   1HG   LYS  10           HG2      LYS  10  16.606  -4.915  -2.247
   89   2HG   LYS  10           HG1      LYS  10  15.264  -5.068  -3.375
   90   1HD   LYS  10           HD2      LYS  10  16.227  -3.669  -4.925
   91   2HD   LYS  10           HD1      LYS  10  16.979  -2.656  -3.698
   92   1HE   LYS  10           HE2      LYS  10  18.676  -3.948  -4.961
   93   2HE   LYS  10           HE1      LYS  10  18.660  -4.402  -3.263
   94   1HZ   LYS  10           HZ3      LYS  10  17.044  -5.883  -5.232
   95   2HZ   LYS  10           HZ2      LYS  10  18.691  -6.237  -5.017
   96   3HZ   LYS  10           HZ1      LYS  10  17.612  -6.394  -3.715
   97    H    THR  11           HN       THR  11  15.008  -2.178   0.543
   98    HA   THR  11           HA       THR  11  16.730  -3.946   2.207
   99    HB   THR  11           HB       THR  11  17.329  -1.489   3.134
  100    HG1  THR  11           HG1      THR  11  15.648  -0.601   1.833
  101   1HG2  THR  11          HG21      THR  11  18.208  -2.912   0.633
  102   2HG2  THR  11          HG23      THR  11  18.768  -1.263   0.896
  103   3HG2  THR  11          HG22      THR  11  19.154  -2.522   2.066
  104    H    LEU  12           HN       LEU  12  13.614  -3.044   2.198
  105    HA   LEU  12           HA       LEU  12  13.428  -3.326   5.137
  106   1HB   LEU  12           HB2      LEU  12  13.629  -0.829   4.469
  107   2HB   LEU  12           HB1      LEU  12  11.989  -1.012   3.858
  108    HG   LEU  12           HG       LEU  12  11.728  -2.191   6.299
  109   1HD1  LEU  12          HD11      LEU  12  14.123  -1.584   6.820
  110   2HD1  LEU  12          HD13      LEU  12  13.668   0.112   6.696
  111   3HD1  LEU  12          HD12      LEU  12  12.962  -0.899   7.952
  112   1HD2  LEU  12          HD21      LEU  12  11.533   0.770   5.644
  113   2HD2  LEU  12          HD23      LEU  12  10.272  -0.432   5.392
  114   3HD2  LEU  12          HD22      LEU  12  10.764  -0.002   7.028
  115    H    LYS  13           HN       LYS  13  11.355  -3.961   5.859
  116    HA   LYS  13           HA       LYS  13   9.297  -4.448   3.770
  117   1HB   LYS  13           HB2      LYS  13  10.519  -6.548   5.564
  118   2HB   LYS  13           HB1      LYS  13   8.968  -6.774   4.775
  119   1HG   LYS  13           HG2      LYS  13   9.990  -6.519   2.582
  120   2HG   LYS  13           HG1      LYS  13  11.532  -6.091   3.304
  121   1HD   LYS  13           HD2      LYS  13  11.534  -8.458   2.611
  122   2HD   LYS  13           HD1      LYS  13  11.662  -8.325   4.360
  123   1HE   LYS  13           HE2      LYS  13   9.479  -9.066   4.713
  124   2HE   LYS  13           HE1      LYS  13   8.933  -8.539   3.126
  125   1HZ   LYS  13           HZ2      LYS  13  10.727 -10.364   2.436
  126   2HZ   LYS  13           HZ1      LYS  13  10.215 -11.016   3.918
  127   3HZ   LYS  13           HZ3      LYS  13   9.084 -10.717   2.686
  128    H    GLY  14           HN       GLY  14   7.227  -4.222   4.516
  129   1HA   GLY  14           HA2      GLY  14   6.620  -4.401   7.367
  130   2HA   GLY  14           HA1      GLY  14   6.600  -2.750   6.759
  131    H    GLU  15           HN       GLU  15   4.323  -2.865   7.422
  132    HA   GLU  15           HA       GLU  15   2.578  -3.247   5.192
  133   1HB   GLU  15           HB2      GLU  15   1.190  -5.096   6.362
  134   2HB   GLU  15           HB1      GLU  15   2.653  -5.587   5.516
  135   1HG   GLU  15           HG2      GLU  15   3.728  -6.157   7.452
  136   2HG   GLU  15           HG1      GLU  15   3.070  -4.781   8.334
  137    H    THR  16           HN       THR  16   0.882  -1.911   5.522
  138    HA   THR  16           HA       THR  16  -0.081  -1.464   8.296
  139    HB   THR  16           HB       THR  16   1.541   0.340   8.093
  140    HG1  THR  16           HG1      THR  16  -0.861   1.532   7.259
  141   1HG2  THR  16          HG22      THR  16   1.020   0.190   5.338
  142   2HG2  THR  16          HG21      THR  16   0.260   1.698   5.831
  143   3HG2  THR  16          HG23      THR  16   1.975   1.437   6.128
  144    H    THR  17           HN       THR  17  -2.187  -0.585   8.413
  145    HA   THR  17           HA       THR  17  -3.733  -0.941   5.886
  146    HB   THR  17           HB       THR  17  -5.587  -1.613   7.229
  147    HG1  THR  17           HG1      THR  17  -4.172   0.009   9.040
  148   1HG2  THR  17          HG21      THR  17  -3.185  -2.898   7.715
  149   2HG2  THR  17          HG23      THR  17  -3.656  -2.393   9.334
  150   3HG2  THR  17          HG22      THR  17  -4.728  -3.415   8.381
  151    H    THR  18           HN       THR  18  -4.999   0.657   5.082
  152    HA   THR  18           HA       THR  18  -5.131   3.226   6.617
  153    HB   THR  18           HB       THR  18  -3.523   3.126   4.524
  154    HG1  THR  18           HG1      THR  18  -3.980   5.071   5.393
  155   1HG2  THR  18          HG23      THR  18  -5.588   2.171   3.139
  156   2HG2  THR  18          HG22      THR  18  -6.086   3.859   3.118
  157   3HG2  THR  18          HG21      THR  18  -4.543   3.388   2.413
  158    H    GLU  19           HN       GLU  19  -7.057   4.358   6.490
  159    HA   GLU  19           HA       GLU  19  -9.366   2.772   5.552
  160   1HB   GLU  19           HB2      GLU  19  -9.505   3.770   7.775
  161   2HB   GLU  19           HB1      GLU  19  -9.207   5.370   7.102
  162   1HG   GLU  19           HG2      GLU  19 -11.313   5.456   6.050
  163   2HG   GLU  19           HG1      GLU  19 -11.507   3.705   6.082
  164    H    ALA  20           HN       ALA  20  -9.517   2.955   3.362
  165    HA   ALA  20           HA       ALA  20  -9.725   5.725   2.232
  166   1HB   ALA  20           HB1      ALA  20  -8.714   3.142   1.060
  167   2HB   ALA  20           HB3      ALA  20  -9.265   4.451   0.018
  168   3HB   ALA  20           HB2      ALA  20  -7.913   4.709   1.118
  169    H    VAL  21           HN       VAL  21 -11.429   6.161   0.802
  170    HA   VAL  21           HA       VAL  21 -13.789   4.433   1.206
  171    HB   VAL  21           HB       VAL  21 -13.831   6.974   1.408
  172   1HG1  VAL  21          HG11      VAL  21 -12.446   7.116  -0.811
  173   2HG1  VAL  21          HG13      VAL  21 -14.008   6.934  -1.602
  174   3HG1  VAL  21          HG12      VAL  21 -13.716   8.303  -0.534
  175   1HG2  VAL  21          HG22      VAL  21 -15.700   5.600  -0.555
  176   2HG2  VAL  21          HG21      VAL  21 -15.897   5.665   1.194
  177   3HG2  VAL  21          HG23      VAL  21 -16.034   7.137   0.236
  178    H    ASP  22           HN       ASP  22 -11.425   5.092  -1.193
  179    HA   ASP  22           HA       ASP  22 -12.818   3.226  -3.032
  180   1HB   ASP  22           HB2      ASP  22 -12.921   4.670  -4.834
  181   2HB   ASP  22           HB1      ASP  22 -13.160   5.823  -3.524
  182    H    ALA  23           HN       ALA  23 -11.278   2.837  -5.005
  183    HA   ALA  23           HA       ALA  23  -8.761   1.899  -3.864
  184   1HB   ALA  23           HB3      ALA  23 -10.219   1.585  -6.435
  185   2HB   ALA  23           HB2      ALA  23  -8.472   1.375  -6.485
  186   3HB   ALA  23           HB1      ALA  23  -9.450   0.365  -5.425
  187    H    ALA  24           HN       ALA  24  -9.747   4.362  -6.198
  188    HA   ALA  24           HA       ALA  24  -7.216   5.159  -7.139
  189   1HB   ALA  24           HB1      ALA  24  -9.716   6.030  -7.598
  190   2HB   ALA  24           HB3      ALA  24  -9.173   7.314  -6.523
  191   3HB   ALA  24           HB2      ALA  24  -8.298   6.986  -8.016
  192    H    THR  25           HN       THR  25  -9.011   6.557  -4.397
  193    HA   THR  25           HA       THR  25  -6.861   8.230  -3.524
  194    HB   THR  25           HB       THR  25  -9.349   8.351  -2.794
  195    HG1  THR  25           HG1      THR  25  -8.144   8.584  -0.476
  196   1HG2  THR  25          HG23      THR  25  -9.115   5.845  -1.897
  197   2HG2  THR  25          HG22      THR  25  -8.397   6.645  -0.503
  198   3HG2  THR  25          HG21      THR  25 -10.049   7.023  -0.979
  199    H    ALA  26           HN       ALA  26  -7.655   4.878  -2.909
  200    HA   ALA  26           HA       ALA  26  -5.854   4.514  -0.690
  201   1HB   ALA  26           HB2      ALA  26  -7.714   2.954  -1.256
  202   2HB   ALA  26           HB1      ALA  26  -6.811   2.448  -2.680
  203   3HB   ALA  26           HB3      ALA  26  -6.167   2.132  -1.073
  204    H    GLU  27           HN       GLU  27  -5.468   4.418  -4.165
  205    HA   GLU  27           HA       GLU  27  -2.904   3.124  -4.199
  206   1HB   GLU  27           HB2      GLU  27  -4.363   4.912  -6.142
  207   2HB   GLU  27           HB1      GLU  27  -2.747   4.316  -6.480
  208   1HG   GLU  27           HG2      GLU  27  -3.609   1.968  -6.085
  209   2HG   GLU  27           HG1      GLU  27  -5.229   2.647  -5.973
  210    H    LYS  28           HN       LYS  28  -3.835   6.556  -4.354
  211    HA   LYS  28           HA       LYS  28  -1.051   7.426  -4.232
  212   1HB   LYS  28           HB2      LYS  28  -1.954   9.677  -4.224
  213   2HB   LYS  28           HB1      LYS  28  -2.832   8.717  -5.410
  214   1HG   LYS  28           HG2      LYS  28  -4.516   8.238  -3.513
  215   2HG   LYS  28           HG1      LYS  28  -3.736   9.557  -2.648
  216   1HD   LYS  28           HD2      LYS  28  -4.094  10.706  -5.099
  217   2HD   LYS  28           HD1      LYS  28  -5.494   9.643  -5.034
  218   1HE   LYS  28           HE2      LYS  28  -6.266  11.624  -4.003
  219   2HE   LYS  28           HE1      LYS  28  -5.844  10.595  -2.641
  220   1HZ   LYS  28           HZ3      LYS  28  -3.841  12.423  -3.777
  221   2HZ   LYS  28           HZ2      LYS  28  -5.016  13.014  -2.703
  222   3HZ   LYS  28           HZ1      LYS  28  -3.949  11.790  -2.204
  223    H    VAL  29           HN       VAL  29  -3.669   6.992  -1.935
  224    HA   VAL  29           HA       VAL  29  -2.565   8.510   0.218
  225    HB   VAL  29           HB       VAL  29  -4.391   6.117   0.130
  226   1HG1  VAL  29          HG12      VAL  29  -3.097   7.483   2.471
  227   2HG1  VAL  29          HG11      VAL  29  -4.746   6.889   2.632
  228   3HG1  VAL  29          HG13      VAL  29  -3.443   5.772   2.240
  229   1HG2  VAL  29          HG21      VAL  29  -4.905   8.684  -0.465
  230   2HG2  VAL  29          HG23      VAL  29  -6.088   7.673   0.358
  231   3HG2  VAL  29          HG22      VAL  29  -5.082   8.783   1.283
  232    H    PHE  30           HN       PHE  30  -2.488   4.964  -0.182
  233    HA   PHE  30           HA       PHE  30  -0.588   4.434   1.822
  234   1HB   PHE  30           HB2      PHE  30  -1.402   3.051  -0.698
  235   2HB   PHE  30           HB1      PHE  30   0.082   2.512   0.076
  236    HD1  PHE  30           HD1      PHE  30  -0.218   2.373   2.817
  237    HD2  PHE  30           HD2      PHE  30  -3.321   1.874  -0.066
  238    HE1  PHE  30           HE1      PHE  30  -1.549   1.112   4.456
  239    HE2  PHE  30           HE2      PHE  30  -4.626   0.602   1.573
  240    HZ   PHE  30           HZ       PHE  30  -3.738   0.189   3.823
  241    H    LYS  31           HN       LYS  31  -0.095   5.338  -1.562
  242    HA   LYS  31           HA       LYS  31   2.721   5.092  -1.667
  243   1HB   LYS  31           HB2      LYS  31   1.211   5.609  -3.608
  244   2HB   LYS  31           HB1      LYS  31   1.074   7.256  -2.997
  245   1HG   LYS  31           HG2      LYS  31   3.587   7.437  -3.106
  246   2HG   LYS  31           HG1      LYS  31   3.622   5.855  -3.875
  247   1HD   LYS  31           HD2      LYS  31   3.486   7.102  -5.796
  248   2HD   LYS  31           HD1      LYS  31   1.764   7.085  -5.427
  249   1HE   LYS  31           HE2      LYS  31   2.274   9.192  -3.988
  250   2HE   LYS  31           HE1      LYS  31   3.779   9.270  -4.895
  251   1HZ   LYS  31           HZ2      LYS  31   1.296   8.941  -6.399
  252   2HZ   LYS  31           HZ1      LYS  31   1.610  10.464  -5.715
  253   3HZ   LYS  31           HZ3      LYS  31   2.714   9.782  -6.810
  254    H    GLN  32           HN       GLN  32   0.689   7.584  -0.289
  255    HA   GLN  32           HA       GLN  32   2.801   9.494   0.167
  256   1HB   GLN  32           HB2      GLN  32   0.299   9.958   0.229
  257   2HB   GLN  32           HB1      GLN  32   0.276   9.179   1.807
  258   1HG   GLN  32           HG2      GLN  32   0.838  11.201   2.672
  259   2HG   GLN  32           HG1      GLN  32   2.431  10.957   1.963
  260   1HE2  GLN  32          HE22      GLN  32   0.507  14.075   0.669
  261   2HE2  GLN  32          HE21      GLN  32   0.490  13.407   2.229
  262    OH   TYR  33           OH       TYR  33   4.486   2.704   8.407
  263    H    TYR  33           HN       TYR  33   1.692   6.647   1.795
  264    HA   TYR  33           HA       TYR  33   3.121   7.214   4.282
  265   1HB   TYR  33           HB2      TYR  33   1.105   5.824   4.348
  266   2HB   TYR  33           HB1      TYR  33   1.843   4.672   3.239
  267    HD1  TYR  33           HD1      TYR  33   3.892   3.399   3.975
  268    HD2  TYR  33           HD2      TYR  33   1.636   5.774   6.689
  269    HE1  TYR  33           HE1      TYR  33   4.948   2.247   5.860
  270    HE2  TYR  33           HE2      TYR  33   2.692   4.618   8.577
  271    HH   TYR  33           HH       TYR  33   5.341   2.377   8.115
  272    H    ALA  34           HN       ALA  34   3.460   4.734   1.760
  273    HA   ALA  34           HA       ALA  34   5.890   3.608   2.514
  274   1HB   ALA  34           HB3      ALA  34   4.364   3.836   0.060
  275   2HB   ALA  34           HB2      ALA  34   6.092   3.868  -0.270
  276   3HB   ALA  34           HB1      ALA  34   5.390   2.515   0.610
  277    H    ASN  35           HN       ASN  35   5.311   6.730   1.070
  278    HA   ASN  35           HA       ASN  35   7.984   7.328   0.253
  279   1HB   ASN  35           HB2      ASN  35   5.969   8.663  -0.382
  280   2HB   ASN  35           HB1      ASN  35   5.890   9.267   1.271
  281   1HD2  ASN  35          HD22      ASN  35   8.403  11.005  -1.324
  282   2HD2  ASN  35          HD21      ASN  35   7.206   9.896  -1.790
  283    H    ASP  36           HN       ASP  36   6.298   7.755   3.325
  284    HA   ASP  36           HA       ASP  36   8.358   9.208   4.670
  285   1HB   ASP  36           HB2      ASP  36   6.111   7.434   5.605
  286   2HB   ASP  36           HB1      ASP  36   7.263   8.108   6.756
  287    H    ASN  37           HN       ASN  37   8.589   6.252   3.307
  288    HA   ASN  37           HA       ASN  37  10.710   5.389   5.235
  289   1HB   ASN  37           HB2      ASN  37   8.632   3.700   3.835
  290   2HB   ASN  37           HB1      ASN  37  10.074   3.018   4.581
  291   1HD2  ASN  37          HD22      ASN  37   7.143   4.625   6.974
  292   2HD2  ASN  37          HD21      ASN  37   7.221   5.065   5.337
  293    H    GLY  38           HN       GLY  38   9.637   5.745   1.952
  294   1HA   GLY  38           HA2      GLY  38  11.182   6.118   0.128
  295   2HA   GLY  38           HA1      GLY  38  12.426   5.276   1.046
  296    H    VAL  39           HN       VAL  39   9.149   4.524  -0.128
  297    HA   VAL  39           HA       VAL  39  10.261   2.073  -1.427
  298    HB   VAL  39           HB       VAL  39   7.641   2.113   0.084
  299   1HG1  VAL  39          HG12      VAL  39   8.124   0.404  -1.764
  300   2HG1  VAL  39          HG11      VAL  39   9.409  -0.211  -0.731
  301   3HG1  VAL  39          HG13      VAL  39   7.738  -0.271  -0.185
  302   1HG2  VAL  39          HG22      VAL  39  10.414   1.275   0.992
  303   2HG2  VAL  39          HG21      VAL  39   9.387   2.506   1.721
  304   3HG2  VAL  39          HG23      VAL  39   8.934   0.808   1.824
  305    H    ASP  40           HN       ASP  40  10.076   3.047  -3.466
  306    HA   ASP  40           HA       ASP  40   7.271   3.254  -4.452
  307   1HB   ASP  40           HB2      ASP  40   9.344   5.385  -4.442
  308   2HB   ASP  40           HB1      ASP  40   8.381   5.225  -5.908
  309    H    GLY  41           HN       GLY  41   6.970   2.319  -6.387
  310   1HA   GLY  41           HA2      GLY  41   8.756   2.185  -8.551
  311   2HA   GLY  41           HA1      GLY  41   9.075   0.752  -7.575
  312    H    GLU  42           HN       GLU  42   7.592  -0.901  -7.545
  313    HA   GLU  42           HA       GLU  42   5.432  -0.717  -9.587
  314   1HB   GLU  42           HB2      GLU  42   6.635  -3.094  -8.165
  315   2HB   GLU  42           HB1      GLU  42   5.391  -3.190  -9.403
  316   1HG   GLU  42           HG2      GLU  42   7.892  -1.657 -10.028
  317   2HG   GLU  42           HG1      GLU  42   7.970  -3.417 -10.043
  318    CH2  TRP  43           CH2      TRP  43   2.037   2.543  -2.363
  319    H    TRP  43           HN       TRP  43   3.311  -0.892  -9.038
  320    HA   TRP  43           HA       TRP  43   2.688  -1.332  -6.138
  321   1HB   TRP  43           HB2      TRP  43   1.687   0.712  -8.088
  322   2HB   TRP  43           HB1      TRP  43   0.690   0.235  -6.724
  323    HD1  TRP  43           HD1      TRP  43   4.290   1.445  -7.442
  324    HE1  TRP  43           HE1      TRP  43   5.010   2.787  -5.409
  325    HE3  TRP  43           HE3      TRP  43   0.292   0.717  -4.571
  326    HZ2  TRP  43           HZ2      TRP  43   3.961   3.397  -2.704
  327    HZ3  TRP  43           HZ3      TRP  43   0.136   1.586  -2.292
  328    HH2  TRP  43           HH2      TRP  43   1.967   2.915  -1.351
  329    H    THR  44           HN       THR  44   1.152  -2.768  -5.662
  330    HA   THR  44           HA       THR  44  -0.484  -3.871  -7.918
  331    HB   THR  44           HB       THR  44  -0.328  -6.079  -6.516
  332    HG1  THR  44           HG1      THR  44   2.010  -4.735  -5.661
  333   1HG2  THR  44          HG23      THR  44   2.174  -4.905  -7.798
  334   2HG2  THR  44          HG22      THR  44   1.932  -6.611  -7.434
  335   3HG2  THR  44          HG21      THR  44   0.934  -5.820  -8.650
  336    OH   TYR  45           OH       TYR  45  -8.982  -1.327  -3.088
  337    H    TYR  45           HN       TYR  45  -2.498  -4.855  -7.266
  338    HA   TYR  45           HA       TYR  45  -3.591  -3.853  -4.667
  339   1HB   TYR  45           HB2      TYR  45  -4.178  -2.433  -6.751
  340   2HB   TYR  45           HB1      TYR  45  -5.166  -3.804  -7.255
  341    HD1  TYR  45           HD1      TYR  45  -6.647  -4.715  -4.930
  342    HD2  TYR  45           HD2      TYR  45  -5.473  -0.740  -5.869
  343    HE1  TYR  45           HE1      TYR  45  -8.408  -3.855  -3.484
  344    HE2  TYR  45           HE2      TYR  45  -7.282   0.117  -4.469
  345    HH   TYR  45           HH       TYR  45  -8.587  -0.834  -2.366
  346    H    ASP  46           HN       ASP  46  -4.557  -5.440  -3.566
  347    HA   ASP  46           HA       ASP  46  -5.263  -7.950  -5.023
  348   1HB   ASP  46           HB2      ASP  46  -3.598  -7.792  -2.968
  349   2HB   ASP  46           HB1      ASP  46  -5.091  -7.816  -2.039
  350    H    ASP  47           HN       ASP  47  -7.329  -7.282  -5.710
  351    HA   ASP  47           HA       ASP  47  -9.281  -6.296  -3.769
  352   1HB   ASP  47           HB2      ASP  47  -9.400  -5.575  -6.112
  353   2HB   ASP  47           HB1      ASP  47  -9.629  -7.243  -6.627
  354    H    ALA  48           HN       ALA  48  -8.001  -9.277  -4.347
  355    HA   ALA  48           HA       ALA  48 -10.427 -10.882  -4.152
  356   1HB   ALA  48           HB3      ALA  48  -7.481 -11.466  -4.022
  357   2HB   ALA  48           HB2      ALA  48  -8.654 -12.707  -3.600
  358   3HB   ALA  48           HB1      ALA  48  -8.658 -12.004  -5.214
  359    H    THR  49           HN       THR  49  -8.238  -9.380  -1.927
  360    HA   THR  49           HA       THR  49  -9.895 -10.405   0.318
  361    HB   THR  49           HB       THR  49  -7.543 -10.642   1.564
  362    HG1  THR  49           HG1      THR  49  -6.147 -11.494  -0.226
  363   1HG2  THR  49          HG23      THR  49  -8.634 -12.606  -0.488
  364   2HG2  THR  49          HG22      THR  49  -7.339 -13.005   0.635
  365   3HG2  THR  49          HG21      THR  49  -8.946 -12.622   1.245
  366    H    LYS  50           HN       LYS  50  -9.098  -7.804  -1.206
  367    HA   LYS  50           HA       LYS  50  -8.838  -5.546  -0.633
  368   1HB   LYS  50           HB2      LYS  50  -9.702  -6.438   2.126
  369   2HB   LYS  50           HB1      LYS  50  -9.869  -4.834   1.425
  370   1HG   LYS  50           HG2      LYS  50 -11.160  -6.254  -0.471
  371   2HG   LYS  50           HG1      LYS  50 -11.460  -7.305   0.908
  372   1HD   LYS  50           HD2      LYS  50 -12.362  -5.382   2.181
  373   2HD   LYS  50           HD1      LYS  50 -12.062  -4.329   0.803
  374   1HE   LYS  50           HE2      LYS  50 -14.404  -5.028   0.778
  375   2HE   LYS  50           HE1      LYS  50 -13.567  -5.769  -0.580
  376   1HZ   LYS  50           HZ3      LYS  50 -13.208  -7.687   1.108
  377   2HZ   LYS  50           HZ2      LYS  50 -14.548  -7.001   1.893
  378   3HZ   LYS  50           HZ1      LYS  50 -14.687  -7.538   0.288
  379    H    THR  51           HN       THR  51  -6.498  -6.377  -0.859
  380    HA   THR  51           HA       THR  51  -5.019  -5.419   1.543
  381    HB   THR  51           HB       THR  51  -4.748  -8.149   0.250
  382    HG1  THR  51           HG1      THR  51  -4.333  -7.618   2.917
  383   1HG2  THR  51          HG21      THR  51  -2.676  -6.727   1.967
  384   2HG2  THR  51          HG23      THR  51  -2.642  -8.427   1.534
  385   3HG2  THR  51          HG22      THR  51  -2.426  -7.200   0.293
  386    H    PHE  52           HN       PHE  52  -3.709  -3.802   0.819
  387    HA   PHE  52           HA       PHE  52  -3.062  -3.602  -2.027
  388   1HB   PHE  52           HB2      PHE  52  -3.052  -1.855   0.275
  389   2HB   PHE  52           HB1      PHE  52  -1.546  -1.726  -0.623
  390    HD1  PHE  52           HD1      PHE  52  -1.586  -1.078  -3.045
  391    HD2  PHE  52           HD2      PHE  52  -5.134  -1.191  -0.730
  392    HE1  PHE  52           HE1      PHE  52  -2.776   0.209  -4.778
  393    HE2  PHE  52           HE2      PHE  52  -6.277   0.193  -2.374
  394    HZ   PHE  52           HZ       PHE  52  -5.087   0.941  -4.380
  395    H    THR  53           HN       THR  53  -0.767  -3.311  -2.722
  396    HA   THR  53           HA       THR  53   1.308  -4.341  -0.938
  397    HB   THR  53           HB       THR  53   0.448  -5.980  -3.350
  398    HG1  THR  53           HG1      THR  53  -0.870  -6.367  -1.627
  399   1HG2  THR  53          HG21      THR  53   2.938  -5.844  -1.822
  400   2HG2  THR  53          HG23      THR  53   2.155  -7.409  -1.622
  401   3HG2  THR  53          HG22      THR  53   2.573  -6.832  -3.233
  402    H    VAL  54           HN       VAL  54   3.280  -3.612  -1.536
  403    HA   VAL  54           HA       VAL  54   3.623  -2.597  -4.327
  404    HB   VAL  54           HB       VAL  54   3.060  -0.729  -2.679
  405   1HG1  VAL  54          HG11      VAL  54   4.607  -1.998  -0.948
  406   2HG1  VAL  54          HG13      VAL  54   5.870  -1.023  -1.687
  407   3HG1  VAL  54          HG12      VAL  54   4.492  -0.244  -0.915
  408   1HG2  VAL  54          HG22      VAL  54   5.736  -0.779  -4.107
  409   2HG2  VAL  54          HG21      VAL  54   4.212  -0.167  -4.725
  410   3HG2  VAL  54          HG23      VAL  54   5.035   0.682  -3.426
  411    H    THR  55           HN       THR  55   5.805  -2.653  -5.049
  412    HA   THR  55           HA       THR  55   7.743  -3.995  -3.214
  413    HB   THR  55           HB       THR  55   7.464  -4.904  -6.088
  414    HG1  THR  55           HG1      THR  55   5.781  -6.086  -5.467
  415   1HG2  THR  55          HG22      THR  55   9.179  -5.614  -3.963
  416   2HG2  THR  55          HG21      THR  55   7.932  -6.858  -3.964
  417   3HG2  THR  55          HG23      THR  55   8.886  -6.566  -5.410
  418    H    GLU  56           HN       GLU  56   9.422  -2.625  -3.119
  419    HA   GLU  56           HA       GLU  56   9.994  -0.628  -5.097
  420   1HB   GLU  56           HB2      GLU  56  10.752  -0.913  -2.561
  421   2HB   GLU  56           HB1      GLU  56  12.167  -1.634  -3.315
  422   1HG   GLU  56           HG2      GLU  56  12.083   0.491  -4.865
  423   2HG   GLU  56           HG1      GLU  56  11.117   1.176  -3.560
   
  Start of MODEL          13
 Raw file had 423 H/Q atoms
  Entry Start of MODEL   13
    1   1H    MET   1           HT2      MET   1 -12.737   1.758   2.160
    2   2H    MET   1           HT1      MET   1 -14.050   0.779   1.711
    3   3H    MET   1           HT3      MET   1 -14.205   1.864   3.008
    4    HA   MET   1           HA       MET   1 -13.610   0.268   4.391
    5   1HB   MET   1           HB2      MET   1 -12.612  -1.470   2.141
    6   2HB   MET   1           HB1      MET   1 -13.327  -1.961   3.673
    7   1HG   MET   1           HG2      MET   1 -15.167  -2.228   2.352
    8   2HG   MET   1           HG1      MET   1 -15.376  -0.548   2.768
    9   1HE   MET   1           HE2      MET   1 -17.059  -1.544   1.024
   10   2HE   MET   1           HE1      MET   1 -16.934  -1.074  -0.670
   11   3HE   MET   1           HE3      MET   1 -16.291  -2.627  -0.137
   12    H    THR   2           HN       THR   2 -11.683  -0.893   5.266
   13    HA   THR   2           HA       THR   2  -9.243   0.668   4.603
   14    HB   THR   2           HB       THR   2  -9.638  -1.204   6.970
   15    HG1  THR   2           HG1      THR   2 -10.392   0.680   7.972
   16   1HG2  THR   2          HG23      THR   2  -7.371   0.108   6.128
   17   2HG2  THR   2          HG22      THR   2  -8.128   1.348   7.122
   18   3HG2  THR   2          HG21      THR   2  -7.729  -0.219   7.820
   19    OH   TYR   3           OH       TYR   3 -11.528   0.221  -0.980
   20    H    TYR   3           HN       TYR   3  -7.748  -0.233   3.320
   21    HA   TYR   3           HA       TYR   3  -7.767  -3.192   2.981
   22   1HB   TYR   3           HB2      TYR   3  -6.069  -1.257   1.403
   23   2HB   TYR   3           HB1      TYR   3  -6.597  -2.872   0.945
   24    HD1  TYR   3           HD1      TYR   3  -7.892   0.551   1.696
   25    HD2  TYR   3           HD2      TYR   3  -8.632  -3.171  -0.219
   26    HE1  TYR   3           HE1      TYR   3  -9.898   1.489   0.644
   27    HE2  TYR   3           HE2      TYR   3 -10.634  -2.232  -1.275
   28    HH   TYR   3           HH       TYR   3 -11.288   1.063  -1.376
   29    H    LYS   4           HN       LYS   4  -5.516  -4.172   2.683
   30    HA   LYS   4           HA       LYS   4  -3.747  -3.155   4.882
   31   1HB   LYS   4           HB2      LYS   4  -5.025  -5.502   4.912
   32   2HB   LYS   4           HB1      LYS   4  -3.634  -5.989   3.958
   33   1HG   LYS   4           HG2      LYS   4  -2.236  -4.791   5.816
   34   2HG   LYS   4           HG1      LYS   4  -3.699  -4.947   6.781
   35   1HD   LYS   4           HD2      LYS   4  -3.714  -7.382   6.399
   36   2HD   LYS   4           HD1      LYS   4  -2.279  -7.246   5.389
   37   1HE   LYS   4           HE2      LYS   4  -1.865  -5.933   7.949
   38   2HE   LYS   4           HE1      LYS   4  -2.345  -7.609   8.181
   39   1HZ   LYS   4           HZ1      LYS   4  -0.600  -8.088   6.388
   40   2HZ   LYS   4           HZ3      LYS   4  -0.005  -6.539   6.749
   41   3HZ   LYS   4           HZ2      LYS   4  -0.068  -7.728   7.961
   42    H    LEU   5           HN       LEU   5  -1.925  -2.294   4.093
   43    HA   LEU   5           HA       LEU   5  -0.986  -3.021   1.414
   44   1HB   LEU   5           HB2      LEU   5  -0.843  -0.684   1.970
   45   2HB   LEU   5           HB1      LEU   5  -0.051  -1.024   3.499
   46    HG   LEU   5           HG       LEU   5   1.955  -1.895   2.181
   47   1HD1  LEU   5          HD12      LEU   5   0.452  -0.643  -0.140
   48   2HD1  LEU   5          HD11      LEU   5   2.092  -1.269  -0.198
   49   3HD1  LEU   5          HD13      LEU   5   0.745  -2.366   0.050
   50   1HD2  LEU   5          HD22      LEU   5   1.719   0.455   3.092
   51   2HD2  LEU   5          HD21      LEU   5   2.805   0.302   1.716
   52   3HD2  LEU   5          HD23      LEU   5   1.185   0.942   1.488
   53    H    ILE   6           HN       ILE   6   1.067  -3.887   0.968
   54    HA   ILE   6           HA       ILE   6   2.495  -5.156   3.218
   55    HB   ILE   6           HB       ILE   6   1.579  -6.377   0.630
   56   1HG1  ILE   6          HG12      ILE   6   1.623  -7.372   3.504
   57   2HG1  ILE   6          HG11      ILE   6   0.241  -6.586   2.756
   58   1HG2  ILE   6          HG23      ILE   6   3.991  -7.079   2.312
   59   2HG2  ILE   6          HG22      ILE   6   3.156  -8.319   1.386
   60   3HG2  ILE   6          HG21      ILE   6   3.881  -6.950   0.561
   61   1HD1  ILE   6           HD3      ILE   6   0.825  -8.552   0.912
   62   2HD1  ILE   6           HD2      ILE   6   1.231  -9.347   2.428
   63   3HD1  ILE   6           HD1      ILE   6  -0.385  -8.702   2.179
   64    H    LEU   7           HN       LEU   7   4.274  -3.896   3.288
   65    HA   LEU   7           HA       LEU   7   5.505  -2.856   0.857
   66   1HB   LEU   7           HB2      LEU   7   6.164  -2.692   3.778
   67   2HB   LEU   7           HB1      LEU   7   7.286  -2.095   2.563
   68    HG   LEU   7           HG       LEU   7   4.438  -1.271   2.281
   69   1HD1  LEU   7          HD11      LEU   7   6.300  -0.169   4.412
   70   2HD1  LEU   7          HD13      LEU   7   4.778   0.571   3.929
   71   3HD1  LEU   7          HD12      LEU   7   4.781  -1.012   4.700
   72   1HD2  LEU   7          HD23      LEU   7   6.227  -0.551   0.713
   73   2HD2  LEU   7          HD22      LEU   7   5.526   0.822   1.562
   74   3HD2  LEU   7          HD21      LEU   7   7.092   0.189   2.057
   75    H    ASN   8           HN       ASN   8   6.726  -4.064  -0.414
   76    HA   ASN   8           HA       ASN   8   8.324  -6.264   0.808
   77   1HB   ASN   8           HB2      ASN   8   6.799  -5.938  -1.644
   78   2HB   ASN   8           HB1      ASN   8   8.435  -6.451  -1.997
   79   1HD2  ASN   8          HD22      ASN   8   5.890  -9.180  -0.842
   80   2HD2  ASN   8          HD21      ASN   8   5.516  -7.723  -1.618
   81    H    GLY   9           HN       GLY   9   9.200  -3.610   1.135
   82   1HA   GLY   9           HA2      GLY   9  11.017  -2.713  -0.860
   83   2HA   GLY   9           HA1      GLY   9  11.129  -2.298   0.841
   84    H    LYS  10           HN       LYS  10  13.035  -3.290  -1.394
   85    HA   LYS  10           HA       LYS  10  14.072  -5.823  -0.516
   86   1HB   LYS  10           HB2      LYS  10  14.605  -4.869  -2.730
   87   2HB   LYS  10           HB1      LYS  10  15.490  -3.560  -1.953
   88   1HG   LYS  10           HG2      LYS  10  17.315  -4.866  -1.659
   89   2HG   LYS  10           HG1      LYS  10  16.352  -6.160  -0.956
   90   1HD   LYS  10           HD2      LYS  10  15.686  -6.898  -3.222
   91   2HD   LYS  10           HD1      LYS  10  16.650  -5.604  -3.926
   92   1HE   LYS  10           HE2      LYS  10  17.726  -7.836  -2.172
   93   2HE   LYS  10           HE1      LYS  10  17.893  -7.750  -3.920
   94   1HZ   LYS  10           HZ2      LYS  10  18.759  -5.350  -2.652
   95   2HZ   LYS  10           HZ1      LYS  10  19.606  -6.702  -2.072
   96   3HZ   LYS  10           HZ3      LYS  10  19.587  -6.362  -3.736
   97    H    THR  11           HN       THR  11  14.465  -2.556   0.538
   98    HA   THR  11           HA       THR  11  16.533  -3.418   2.511
   99    HB   THR  11           HB       THR  11  16.705  -0.739   2.644
  100    HG1  THR  11           HG1      THR  11  15.414   0.025   1.154
  101   1HG2  THR  11          HG23      THR  11  18.523  -2.292   1.796
  102   2HG2  THR  11          HG22      THR  11  17.726  -2.274   0.226
  103   3HG2  THR  11          HG21      THR  11  18.412  -0.791   0.883
  104    H    LEU  12           HN       LEU  12  13.277  -2.795   2.208
  105    HA   LEU  12           HA       LEU  12  12.995  -2.578   5.123
  106   1HB   LEU  12           HB2      LEU  12  13.367  -0.208   4.175
  107   2HB   LEU  12           HB1      LEU  12  11.749  -0.368   3.503
  108    HG   LEU  12           HG       LEU  12  11.195  -1.170   5.995
  109   1HD1  LEU  12          HD11      LEU  12  13.733  -0.825   6.496
  110   2HD1  LEU  12          HD13      LEU  12  13.340   0.891   6.511
  111   3HD1  LEU  12          HD12      LEU  12  12.567  -0.199   7.657
  112   1HD2  LEU  12          HD21      LEU  12  11.575   1.718   5.129
  113   2HD2  LEU  12          HD23      LEU  12  10.142   0.734   4.847
  114   3HD2  LEU  12          HD22      LEU  12  10.582   1.198   6.488
  115    H    LYS  13           HN       LYS  13  11.616  -4.260   5.307
  116    HA   LYS  13           HA       LYS  13   9.221  -4.351   3.531
  117   1HB   LYS  13           HB2      LYS  13  10.309  -6.437   5.443
  118   2HB   LYS  13           HB1      LYS  13   8.931  -6.653   4.376
  119   1HG   LYS  13           HG2      LYS  13  10.539  -7.522   2.979
  120   2HG   LYS  13           HG1      LYS  13  10.747  -5.830   2.556
  121   1HD   LYS  13           HD2      LYS  13  12.948  -6.403   3.055
  122   2HD   LYS  13           HD1      LYS  13  12.409  -5.851   4.634
  123   1HE   LYS  13           HE2      LYS  13  11.814  -8.218   5.208
  124   2HE   LYS  13           HE1      LYS  13  12.485  -8.726   3.663
  125   1HZ   LYS  13           HZ2      LYS  13  14.054  -7.190   5.643
  126   2HZ   LYS  13           HZ1      LYS  13  13.997  -8.886   5.642
  127   3HZ   LYS  13           HZ3      LYS  13  14.622  -8.056   4.298
  128    H    GLY  14           HN       GLY  14   7.183  -4.082   4.354
  129   1HA   GLY  14           HA2      GLY  14   6.786  -4.080   7.275
  130   2HA   GLY  14           HA1      GLY  14   6.560  -2.525   6.483
  131    H    GLU  15           HN       GLU  15   4.367  -2.776   7.377
  132    HA   GLU  15           HA       GLU  15   2.486  -3.557   5.377
  133   1HB   GLU  15           HB2      GLU  15   1.417  -5.382   6.933
  134   2HB   GLU  15           HB1      GLU  15   2.748  -5.826   5.869
  135   1HG   GLU  15           HG2      GLU  15   4.257  -6.012   7.613
  136   2HG   GLU  15           HG1      GLU  15   3.459  -4.769   8.574
  137    H    THR  16           HN       THR  16   0.821  -2.210   5.712
  138    HA   THR  16           HA       THR  16  -0.124  -1.730   8.479
  139    HB   THR  16           HB       THR  16   1.540   0.082   8.143
  140    HG1  THR  16           HG1      THR  16  -0.411   0.528   9.225
  141   1HG2  THR  16          HG23      THR  16   0.595   0.043   5.474
  142   2HG2  THR  16          HG22      THR  16  -0.011   1.546   6.161
  143   3HG2  THR  16          HG21      THR  16   1.718   1.209   6.163
  144    H    THR  17           HN       THR  17  -2.154  -0.338   8.429
  145    HA   THR  17           HA       THR  17  -3.713  -0.922   5.932
  146    HB   THR  17           HB       THR  17  -5.576  -1.628   7.237
  147    HG1  THR  17           HG1      THR  17  -5.537   0.181   8.601
  148   1HG2  THR  17          HG23      THR  17  -3.176  -2.897   7.759
  149   2HG2  THR  17          HG22      THR  17  -3.675  -2.403   9.373
  150   3HG2  THR  17          HG21      THR  17  -4.726  -3.428   8.400
  151    H    THR  18           HN       THR  18  -4.968   0.689   5.128
  152    HA   THR  18           HA       THR  18  -5.143   3.225   6.714
  153    HB   THR  18           HB       THR  18  -3.439   3.177   4.699
  154    HG1  THR  18           HG1      THR  18  -5.412   4.940   5.553
  155   1HG2  THR  18          HG23      THR  18  -5.437   2.272   3.189
  156   2HG2  THR  18          HG22      THR  18  -5.929   3.962   3.194
  157   3HG2  THR  18          HG21      THR  18  -4.355   3.505   2.549
  158    H    GLU  19           HN       GLU  19  -7.046   4.367   6.544
  159    HA   GLU  19           HA       GLU  19  -9.344   2.848   5.504
  160   1HB   GLU  19           HB2      GLU  19  -9.240   5.528   6.914
  161   2HB   GLU  19           HB1      GLU  19 -10.693   4.588   6.598
  162   1HG   GLU  19           HG2      GLU  19  -9.955   2.810   8.050
  163   2HG   GLU  19           HG1      GLU  19  -8.343   3.510   8.185
  164    H    ALA  20           HN       ALA  20 -10.169   3.157   3.534
  165    HA   ALA  20           HA       ALA  20  -9.932   5.845   2.272
  166   1HB   ALA  20           HB2      ALA  20  -8.665   3.342   1.372
  167   2HB   ALA  20           HB1      ALA  20  -9.562   4.193   0.119
  168   3HB   ALA  20           HB3      ALA  20  -8.261   5.008   0.979
  169    H    VAL  21           HN       VAL  21 -11.573   6.331   0.800
  170    HA   VAL  21           HA       VAL  21 -14.005   4.696   1.129
  171    HB   VAL  21           HB       VAL  21 -14.064   7.186   1.321
  172   1HG1  VAL  21          HG13      VAL  21 -12.346   7.490  -0.547
  173   2HG1  VAL  21          HG12      VAL  21 -13.651   7.164  -1.684
  174   3HG1  VAL  21          HG11      VAL  21 -13.739   8.565  -0.621
  175   1HG2  VAL  21          HG23      VAL  21 -16.058   5.787   0.624
  176   2HG2  VAL  21          HG22      VAL  21 -16.112   7.452   0.053
  177   3HG2  VAL  21          HG21      VAL  21 -15.657   6.156  -1.050
  178    H    ASP  22           HN       ASP  22 -11.496   5.094  -1.139
  179    HA   ASP  22           HA       ASP  22 -12.887   3.271  -3.004
  180   1HB   ASP  22           HB2      ASP  22 -12.590   4.679  -4.939
  181   2HB   ASP  22           HB1      ASP  22 -13.418   5.640  -3.714
  182    H    ALA  23           HN       ALA  23 -11.383   2.518  -4.739
  183    HA   ALA  23           HA       ALA  23  -8.855   1.746  -3.565
  184   1HB   ALA  23           HB3      ALA  23 -10.261   1.277  -6.152
  185   2HB   ALA  23           HB2      ALA  23  -8.523   1.004  -6.112
  186   3HB   ALA  23           HB1      ALA  23  -9.580   0.112  -5.021
  187    H    ALA  24           HN       ALA  24  -9.856   4.196  -5.857
  188    HA   ALA  24           HA       ALA  24  -7.308   4.864  -6.928
  189   1HB   ALA  24           HB3      ALA  24  -9.884   5.815  -7.219
  190   2HB   ALA  24           HB2      ALA  24  -9.051   7.170  -6.463
  191   3HB   ALA  24           HB1      ALA  24  -8.454   6.504  -7.980
  192    H    THR  25           HN       THR  25  -9.062   6.554  -4.325
  193    HA   THR  25           HA       THR  25  -6.876   8.178  -3.522
  194    HB   THR  25           HB       THR  25  -9.387   8.330  -2.791
  195    HG1  THR  25           HG1      THR  25  -7.126   9.228  -1.951
  196   1HG2  THR  25          HG22      THR  25  -9.018   5.928  -1.622
  197   2HG2  THR  25          HG21      THR  25  -8.374   6.942  -0.333
  198   3HG2  THR  25          HG23      THR  25 -10.035   7.156  -0.874
  199    H    ALA  26           HN       ALA  26  -7.594   4.845  -2.873
  200    HA   ALA  26           HA       ALA  26  -5.878   4.561  -0.567
  201   1HB   ALA  26           HB2      ALA  26  -7.628   2.898  -1.163
  202   2HB   ALA  26           HB1      ALA  26  -6.698   2.459  -2.592
  203   3HB   ALA  26           HB3      ALA  26  -6.045   2.149  -0.987
  204    H    GLU  27           HN       GLU  27  -5.394   4.308  -4.041
  205    HA   GLU  27           HA       GLU  27  -2.752   3.225  -3.985
  206   1HB   GLU  27           HB2      GLU  27  -4.209   4.957  -5.990
  207   2HB   GLU  27           HB1      GLU  27  -2.590   4.343  -6.273
  208   1HG   GLU  27           HG2      GLU  27  -3.492   2.012  -5.835
  209   2HG   GLU  27           HG1      GLU  27  -5.106   2.717  -5.824
  210    H    LYS  28           HN       LYS  28  -3.987   6.516  -3.799
  211    HA   LYS  28           HA       LYS  28  -1.289   7.668  -3.834
  212   1HB   LYS  28           HB2      LYS  28  -3.666   9.248  -2.970
  213   2HB   LYS  28           HB1      LYS  28  -2.324   9.722  -4.007
  214   1HG   LYS  28           HG2      LYS  28  -3.222   8.084  -5.736
  215   2HG   LYS  28           HG1      LYS  28  -4.653   7.918  -4.727
  216   1HD   LYS  28           HD2      LYS  28  -5.133  10.296  -4.918
  217   2HD   LYS  28           HD1      LYS  28  -3.619  10.571  -5.773
  218   1HE   LYS  28           HE2      LYS  28  -5.812   8.733  -6.783
  219   2HE   LYS  28           HE1      LYS  28  -5.640  10.410  -7.284
  220   1HZ   LYS  28           HZ1      LYS  28  -3.267   9.739  -7.880
  221   2HZ   LYS  28           HZ3      LYS  28  -3.832   8.140  -7.793
  222   3HZ   LYS  28           HZ2      LYS  28  -4.522   9.226  -8.902
  223    H    VAL  29           HN       VAL  29  -3.845   7.097  -1.462
  224    HA   VAL  29           HA       VAL  29  -2.679   8.427   0.747
  225    HB   VAL  29           HB       VAL  29  -4.401   5.945   0.613
  226   1HG1  VAL  29          HG13      VAL  29  -3.215   7.434   2.943
  227   2HG1  VAL  29          HG12      VAL  29  -4.813   6.713   3.103
  228   3HG1  VAL  29          HG11      VAL  29  -3.424   5.699   2.729
  229   1HG2  VAL  29          HG21      VAL  29  -5.069   8.480  -0.006
  230   2HG2  VAL  29          HG23      VAL  29  -6.193   7.392   0.802
  231   3HG2  VAL  29          HG22      VAL  29  -5.276   8.567   1.740
  232    H    PHE  30           HN       PHE  30  -2.461   4.954  -0.039
  233    HA   PHE  30           HA       PHE  30  -0.485   4.347   1.917
  234   1HB   PHE  30           HB2      PHE  30  -1.390   3.060  -0.634
  235   2HB   PHE  30           HB1      PHE  30   0.096   2.483   0.109
  236    HD1  PHE  30           HD1      PHE  30  -0.183   2.256   2.849
  237    HD2  PHE  30           HD2      PHE  30  -3.310   1.876  -0.024
  238    HE1  PHE  30           HE1      PHE  30  -1.511   0.953   4.455
  239    HE2  PHE  30           HE2      PHE  30  -4.613   0.555   1.581
  240    HZ   PHE  30           HZ       PHE  30  -3.712   0.073   3.811
  241    H    LYS  31           HN       LYS  31  -0.162   5.291  -1.489
  242    HA   LYS  31           HA       LYS  31   2.638   5.085  -1.732
  243   1HB   LYS  31           HB2      LYS  31   1.184   5.597  -3.634
  244   2HB   LYS  31           HB1      LYS  31   0.797   7.162  -2.934
  245   1HG   LYS  31           HG2      LYS  31   3.694   6.638  -3.153
  246   2HG   LYS  31           HG1      LYS  31   2.871   6.686  -4.705
  247   1HD   LYS  31           HD2      LYS  31   2.346   8.846  -2.662
  248   2HD   LYS  31           HD1      LYS  31   3.778   8.922  -3.676
  249   1HE   LYS  31           HE2      LYS  31   2.373   8.760  -5.701
  250   2HE   LYS  31           HE1      LYS  31   0.931   8.671  -4.702
  251   1HZ   LYS  31           HZ2      LYS  31   2.828  10.939  -4.601
  252   2HZ   LYS  31           HZ1      LYS  31   1.462  10.910  -5.610
  253   3HZ   LYS  31           HZ3      LYS  31   1.273  10.854  -3.923
  254    H    GLN  32           HN       GLN  32   0.674   7.591  -0.263
  255    HA   GLN  32           HA       GLN  32   2.793   9.488   0.140
  256   1HB   GLN  32           HB2      GLN  32   0.310   9.945   0.353
  257   2HB   GLN  32           HB1      GLN  32   0.358   9.101   1.897
  258   1HG   GLN  32           HG2      GLN  32   2.087  10.692   2.702
  259   2HG   GLN  32           HG1      GLN  32   2.011  11.543   1.162
  260   1HE2  GLN  32          HE22      GLN  32  -0.918  13.317   1.994
  261   2HE2  GLN  32          HE21      GLN  32   0.291  13.019   0.839
  262    OH   TYR  33           OH       TYR  33   4.980   2.627   8.191
  263    H    TYR  33           HN       TYR  33   1.713   6.657   1.860
  264    HA   TYR  33           HA       TYR  33   3.302   7.173   4.241
  265   1HB   TYR  33           HB2      TYR  33   1.319   5.743   4.382
  266   2HB   TYR  33           HB1      TYR  33   2.021   4.627   3.215
  267    HD1  TYR  33           HD1      TYR  33   4.101   3.364   3.813
  268    HD2  TYR  33           HD2      TYR  33   2.003   5.690   6.689
  269    HE1  TYR  33           HE1      TYR  33   5.283   2.200   5.613
  270    HE2  TYR  33           HE2      TYR  33   3.186   4.525   8.493
  271    HH   TYR  33           HH       TYR  33   5.073   1.706   7.938
  272    H    ALA  34           HN       ALA  34   3.567   4.758   1.644
  273    HA   ALA  34           HA       ALA  34   6.080   3.706   2.281
  274   1HB   ALA  34           HB3      ALA  34   4.350   3.380   0.197
  275   2HB   ALA  34           HB2      ALA  34   5.673   4.224  -0.602
  276   3HB   ALA  34           HB1      ALA  34   5.975   2.705   0.234
  277    H    ASN  35           HN       ASN  35   5.277   6.769   0.821
  278    HA   ASN  35           HA       ASN  35   7.836   7.489  -0.190
  279   1HB   ASN  35           HB2      ASN  35   5.933   8.857  -0.745
  280   2HB   ASN  35           HB1      ASN  35   5.596   9.172   0.954
  281   1HD2  ASN  35          HD22      ASN  35   7.672  11.993   0.998
  282   2HD2  ASN  35          HD21      ASN  35   6.337  11.166   1.641
  283    H    ASP  36           HN       ASP  36   6.363   8.249   2.955
  284    HA   ASP  36           HA       ASP  36   8.644   9.486   4.103
  285   1HB   ASP  36           HB2      ASP  36   6.334   7.971   5.329
  286   2HB   ASP  36           HB1      ASP  36   7.570   8.760   6.307
  287    H    ASN  37           HN       ASN  37   8.242   6.318   3.108
  288    HA   ASN  37           HA       ASN  37  10.264   5.281   5.051
  289   1HB   ASN  37           HB2      ASN  37   8.199   3.948   3.313
  290   2HB   ASN  37           HB1      ASN  37   9.564   3.035   3.951
  291   1HD2  ASN  37          HD22      ASN  37   6.811   4.559   6.607
  292   2HD2  ASN  37          HD21      ASN  37   7.028   5.326   5.109
  293    H    GLY  38           HN       GLY  38   9.668   5.976   1.698
  294   1HA   GLY  38           HA2      GLY  38  11.479   6.416   0.146
  295   2HA   GLY  38           HA1      GLY  38  12.527   5.395   1.126
  296    H    VAL  39           HN       VAL  39   9.536   3.949   0.770
  297    HA   VAL  39           HA       VAL  39  10.652   2.074  -1.240
  298    HB   VAL  39           HB       VAL  39   8.158   1.862   0.468
  299   1HG1  VAL  39          HG11      VAL  39   9.590  -0.072  -1.378
  300   2HG1  VAL  39          HG13      VAL  39   8.401  -0.585  -0.185
  301   3HG1  VAL  39          HG12      VAL  39   7.924   0.485  -1.500
  302   1HG2  VAL  39          HG21      VAL  39  10.954   0.714   0.760
  303   2HG2  VAL  39          HG23      VAL  39  10.163   1.844   1.853
  304   3HG2  VAL  39          HG22      VAL  39   9.572   0.191   1.717
  305    H    ASP  40           HN       ASP  40  10.159   2.412  -3.311
  306    HA   ASP  40           HA       ASP  40   7.395   2.879  -4.123
  307   1HB   ASP  40           HB2      ASP  40   9.403   5.078  -4.093
  308   2HB   ASP  40           HB1      ASP  40   8.345   4.975  -5.498
  309    H    GLY  41           HN       GLY  41   7.043   2.286  -6.231
  310   1HA   GLY  41           HA2      GLY  41   8.769   2.258  -8.401
  311   2HA   GLY  41           HA1      GLY  41   9.160   0.774  -7.534
  312    H    GLU  42           HN       GLU  42   7.660  -0.899  -7.477
  313    HA   GLU  42           HA       GLU  42   5.495  -0.683  -9.514
  314   1HB   GLU  42           HB2      GLU  42   6.529  -3.165  -8.157
  315   2HB   GLU  42           HB1      GLU  42   5.567  -3.078  -9.626
  316   1HG   GLU  42           HG2      GLU  42   7.601  -3.202 -10.675
  317   2HG   GLU  42           HG1      GLU  42   7.690  -1.483 -10.300
  318    CH2  TRP  43           CH2      TRP  43   2.122   2.526  -2.184
  319    H    TRP  43           HN       TRP  43   3.411  -0.692  -8.916
  320    HA   TRP  43           HA       TRP  43   2.783  -1.340  -6.056
  321   1HB   TRP  43           HB2      TRP  43   1.777   0.783  -7.918
  322   2HB   TRP  43           HB1      TRP  43   0.793   0.258  -6.563
  323    HD1  TRP  43           HD1      TRP  43   4.400   1.464  -7.259
  324    HE1  TRP  43           HE1      TRP  43   5.102   2.809  -5.219
  325    HE3  TRP  43           HE3      TRP  43   0.404   0.680  -4.401
  326    HZ2  TRP  43           HZ2      TRP  43   4.042   3.395  -2.516
  327    HZ3  TRP  43           HZ3      TRP  43   0.229   1.547  -2.123
  328    HH2  TRP  43           HH2      TRP  43   2.044   2.898  -1.173
  329    H    THR  44           HN       THR  44   1.154  -2.714  -5.626
  330    HA   THR  44           HA       THR  44  -0.458  -3.724  -7.943
  331    HB   THR  44           HB       THR  44  -0.387  -5.974  -6.590
  332    HG1  THR  44           HG1      THR  44   2.047  -5.389  -5.681
  333   1HG2  THR  44          HG21      THR  44   2.087  -4.797  -7.915
  334   2HG2  THR  44          HG23      THR  44   1.931  -6.495  -7.471
  335   3HG2  THR  44          HG22      THR  44   0.869  -5.801  -8.694
  336    OH   TYR  45           OH       TYR  45  -8.871  -1.228  -3.047
  337    H    TYR  45           HN       TYR  45  -2.429  -4.929  -7.195
  338    HA   TYR  45           HA       TYR  45  -3.581  -3.891  -4.652
  339   1HB   TYR  45           HB2      TYR  45  -4.099  -2.410  -6.722
  340   2HB   TYR  45           HB1      TYR  45  -5.123  -3.745  -7.253
  341    HD1  TYR  45           HD1      TYR  45  -6.640  -4.651  -4.956
  342    HD2  TYR  45           HD2      TYR  45  -5.346  -0.696  -5.817
  343    HE1  TYR  45           HE1      TYR  45  -8.377  -3.764  -3.490
  344    HE2  TYR  45           HE2      TYR  45  -7.133   0.188  -4.406
  345    HH   TYR  45           HH       TYR  45  -8.779  -0.274  -3.020
  346    H    ASP  46           HN       ASP  46  -4.626  -5.492  -3.621
  347    HA   ASP  46           HA       ASP  46  -5.357  -7.943  -5.179
  348   1HB   ASP  46           HB2      ASP  46  -3.661  -8.012  -3.219
  349   2HB   ASP  46           HB1      ASP  46  -5.073  -7.815  -2.187
  350    H    ASP  47           HN       ASP  47  -7.382  -6.853  -5.794
  351    HA   ASP  47           HA       ASP  47  -9.307  -6.049  -3.797
  352   1HB   ASP  47           HB2      ASP  47  -9.314  -5.354  -6.231
  353   2HB   ASP  47           HB1      ASP  47  -9.907  -6.967  -6.617
  354    H    ALA  48           HN       ALA  48  -8.104  -9.036  -4.472
  355    HA   ALA  48           HA       ALA  48 -10.597 -10.560  -4.274
  356   1HB   ALA  48           HB2      ALA  48  -8.054 -11.132  -5.187
  357   2HB   ALA  48           HB1      ALA  48  -8.116 -11.997  -3.655
  358   3HB   ALA  48           HB3      ALA  48  -9.318 -12.322  -4.899
  359    H    THR  49           HN       THR  49  -8.268  -9.222  -2.112
  360    HA   THR  49           HA       THR  49  -9.813 -10.320   0.178
  361    HB   THR  49           HB       THR  49  -7.879 -11.185   1.306
  362    HG1  THR  49           HG1      THR  49  -5.986 -10.440  -0.460
  363   1HG2  THR  49          HG22      THR  49  -8.474 -12.453  -0.901
  364   2HG2  THR  49          HG21      THR  49  -7.071 -11.630  -1.579
  365   3HG2  THR  49          HG23      THR  49  -6.875 -12.730  -0.218
  366    H    LYS  50           HN       LYS  50  -9.101  -7.681  -1.311
  367    HA   LYS  50           HA       LYS  50  -8.741  -5.442  -0.710
  368   1HB   LYS  50           HB2      LYS  50  -9.924  -6.625   1.800
  369   2HB   LYS  50           HB1      LYS  50  -9.521  -4.917   1.685
  370   1HG   LYS  50           HG2      LYS  50 -11.882  -5.297   1.059
  371   2HG   LYS  50           HG1      LYS  50 -10.958  -4.709  -0.320
  372   1HD   LYS  50           HD2      LYS  50 -10.946  -6.804  -1.372
  373   2HD   LYS  50           HD1      LYS  50 -11.206  -7.674   0.136
  374   1HE   LYS  50           HE2      LYS  50 -13.201  -7.366  -1.576
  375   2HE   LYS  50           HE1      LYS  50 -13.496  -7.236   0.152
  376   1HZ   LYS  50           HZ1      LYS  50 -12.680  -4.738  -0.862
  377   2HZ   LYS  50           HZ3      LYS  50 -13.972  -5.328  -1.792
  378   3HZ   LYS  50           HZ2      LYS  50 -14.143  -5.160  -0.110
  379    H    THR  51           HN       THR  51  -6.421  -6.562  -0.874
  380    HA   THR  51           HA       THR  51  -4.915  -5.608   1.531
  381    HB   THR  51           HB       THR  51  -4.452  -8.224   0.013
  382    HG1  THR  51           HG1      THR  51  -5.224  -7.453   2.637
  383   1HG2  THR  51          HG23      THR  51  -2.466  -6.708   1.254
  384   2HG2  THR  51          HG22      THR  51  -3.039  -7.746   2.550
  385   3HG2  THR  51          HG21      THR  51  -2.427  -8.452   1.061
  386    H    PHE  52           HN       PHE  52  -3.679  -3.928   0.816
  387    HA   PHE  52           HA       PHE  52  -3.012  -3.670  -2.010
  388   1HB   PHE  52           HB2      PHE  52  -3.006  -1.981   0.323
  389   2HB   PHE  52           HB1      PHE  52  -1.484  -1.845  -0.543
  390    HD1  PHE  52           HD1      PHE  52  -1.484  -1.179  -2.975
  391    HD2  PHE  52           HD2      PHE  52  -5.044  -1.232  -0.676
  392    HE1  PHE  52           HE1      PHE  52  -2.633   0.154  -4.698
  393    HE2  PHE  52           HE2      PHE  52  -6.141   0.209  -2.305
  394    HZ   PHE  52           HZ       PHE  52  -4.922   0.949  -4.298
  395    H    THR  53           HN       THR  53  -0.727  -3.377  -2.719
  396    HA   THR  53           HA       THR  53   1.357  -4.455  -0.972
  397    HB   THR  53           HB       THR  53   0.465  -6.031  -3.414
  398    HG1  THR  53           HG1      THR  53   0.026  -7.527  -1.718
  399   1HG2  THR  53          HG23      THR  53   2.968  -5.951  -1.860
  400   2HG2  THR  53          HG22      THR  53   2.206  -7.539  -1.844
  401   3HG2  THR  53          HG21      THR  53   2.637  -6.784  -3.376
  402    H    VAL  54           HN       VAL  54   3.341  -3.764  -1.574
  403    HA   VAL  54           HA       VAL  54   3.712  -2.724  -4.342
  404    HB   VAL  54           HB       VAL  54   3.066  -0.826  -2.799
  405   1HG1  VAL  54          HG13      VAL  54   4.259  -1.903  -0.825
  406   2HG1  VAL  54          HG12      VAL  54   5.766  -1.330  -1.531
  407   3HG1  VAL  54          HG11      VAL  54   4.533  -0.179  -1.027
  408   1HG2  VAL  54          HG21      VAL  54   5.858  -0.870  -3.979
  409   2HG2  VAL  54          HG23      VAL  54   4.392  -0.280  -4.738
  410   3HG2  VAL  54          HG22      VAL  54   5.089   0.589  -3.383
  411    H    THR  55           HN       THR  55   5.922  -2.728  -4.990
  412    HA   THR  55           HA       THR  55   7.874  -3.904  -3.075
  413    HB   THR  55           HB       THR  55   7.272  -5.149  -5.791
  414    HG1  THR  55           HG1      THR  55   6.206  -6.585  -4.565
  415   1HG2  THR  55          HG21      THR  55   9.470  -5.422  -3.813
  416   2HG2  THR  55          HG23      THR  55   8.693  -6.940  -4.256
  417   3HG2  THR  55          HG22      THR  55   9.424  -5.929  -5.496
  418    H    GLU  56           HN       GLU  56   9.662  -2.702  -3.179
  419    HA   GLU  56           HA       GLU  56  10.164  -0.764  -5.221
  420   1HB   GLU  56           HB2      GLU  56  11.242  -1.368  -2.736
  421   2HB   GLU  56           HB1      GLU  56  12.566  -1.709  -3.838
  422   1HG   GLU  56           HG2      GLU  56  10.966   0.876  -3.777
  423   2HG   GLU  56           HG1      GLU  56  12.577   0.667  -3.103
   
  Start of MODEL          14
 Raw file had 423 H/Q atoms
  Entry Start of MODEL   14
    1   1H    MET   1           HT2      MET   1 -13.571   1.270   5.170
    2   2H    MET   1           HT1      MET   1 -14.224   1.948   3.756
    3   3H    MET   1           HT3      MET   1 -14.971   0.603   4.478
    4    HA   MET   1           HA       MET   1 -13.491  -0.870   3.657
    5   1HB   MET   1           HB2      MET   1 -12.759   1.232   1.650
    6   2HB   MET   1           HB1      MET   1 -13.187  -0.456   1.389
    7   1HG   MET   1           HG2      MET   1 -15.131   0.567   0.703
    8   2HG   MET   1           HG1      MET   1 -15.497   0.261   2.379
    9   1HE   MET   1           HE2      MET   1 -17.514   1.738   1.619
   10   2HE   MET   1           HE1      MET   1 -17.100   1.833   3.329
   11   3HE   MET   1           HE3      MET   1 -17.528   3.296   2.444
   12    H    THR   2           HN       THR   2 -11.739  -1.331   4.860
   13    HA   THR   2           HA       THR   2  -9.363   0.479   4.625
   14    HB   THR   2           HB       THR   2  -9.686  -1.553   6.840
   15    HG1  THR   2           HG1      THR   2 -11.577  -0.282   6.739
   16   1HG2  THR   2          HG22      THR   2  -7.606   0.059   6.323
   17   2HG2  THR   2          HG21      THR   2  -8.649   1.257   7.084
   18   3HG2  THR   2          HG23      THR   2  -8.161  -0.180   7.976
   19    OH   TYR   3           OH       TYR   3 -11.615   0.398  -0.872
   20    H    TYR   3           HN       TYR   3  -7.880  -0.309   3.275
   21    HA   TYR   3           HA       TYR   3  -7.742  -3.252   2.856
   22   1HB   TYR   3           HB2      TYR   3  -6.128  -1.220   1.339
   23   2HB   TYR   3           HB1      TYR   3  -6.662  -2.809   0.815
   24    HD1  TYR   3           HD1      TYR   3  -7.891   0.595   1.693
   25    HD2  TYR   3           HD2      TYR   3  -8.775  -3.077  -0.267
   26    HE1  TYR   3           HE1      TYR   3  -9.909   1.595   0.723
   27    HE2  TYR   3           HE2      TYR   3 -10.781  -2.060  -1.251
   28    HH   TYR   3           HH       TYR   3 -11.699   0.082  -1.775
   29    H    LYS   4           HN       LYS   4  -5.546  -4.212   2.681
   30    HA   LYS   4           HA       LYS   4  -3.786  -3.106   4.825
   31   1HB   LYS   4           HB2      LYS   4  -4.922  -5.457   4.964
   32   2HB   LYS   4           HB1      LYS   4  -3.684  -5.939   3.826
   33   1HG   LYS   4           HG2      LYS   4  -2.268  -4.504   5.777
   34   2HG   LYS   4           HG1      LYS   4  -3.441  -5.435   6.697
   35   1HD   LYS   4           HD2      LYS   4  -1.588  -6.594   4.581
   36   2HD   LYS   4           HD1      LYS   4  -1.298  -6.673   6.313
   37   1HE   LYS   4           HE2      LYS   4  -2.687  -8.438   6.530
   38   2HE   LYS   4           HE1      LYS   4  -3.987  -7.580   5.717
   39   1HZ   LYS   4           HZ1      LYS   4  -1.809  -8.603   4.065
   40   2HZ   LYS   4           HZ3      LYS   4  -2.895  -9.735   4.713
   41   3HZ   LYS   4           HZ2      LYS   4  -3.468  -8.480   3.722
   42    H    LEU   5           HN       LEU   5  -1.944  -2.213   4.109
   43    HA   LEU   5           HA       LEU   5  -0.983  -2.855   1.408
   44   1HB   LEU   5           HB2      LEU   5  -0.867  -0.533   2.032
   45   2HB   LEU   5           HB1      LEU   5  -0.075  -0.904   3.556
   46    HG   LEU   5           HG       LEU   5   1.934  -1.733   2.211
   47   1HD1  LEU   5          HD12      LEU   5   0.361  -0.480  -0.064
   48   2HD1  LEU   5          HD11      LEU   5   2.044  -0.982  -0.161
   49   3HD1  LEU   5          HD13      LEU   5   0.782  -2.183   0.076
   50   1HD2  LEU   5          HD23      LEU   5   1.663   0.608   3.174
   51   2HD2  LEU   5          HD22      LEU   5   2.793   0.461   1.833
   52   3HD2  LEU   5          HD21      LEU   5   1.184   1.116   1.560
   53    H    ILE   6           HN       ILE   6   1.089  -3.711   0.970
   54    HA   ILE   6           HA       ILE   6   2.483  -5.022   3.226
   55    HB   ILE   6           HB       ILE   6   2.057  -6.244   0.495
   56   1HG1  ILE   6          HG12      ILE   6   0.766  -6.905   3.164
   57   2HG1  ILE   6          HG11      ILE   6  -0.047  -6.130   1.808
   58   1HG2  ILE   6          HG22      ILE   6   3.944  -6.752   2.556
   59   2HG2  ILE   6          HG21      ILE   6   2.779  -8.069   2.605
   60   3HG2  ILE   6          HG23      ILE   6   3.647  -7.718   1.114
   61   1HD1  ILE   6           HD1      ILE   6   1.206  -8.430   0.741
   62   2HD1  ILE   6           HD3      ILE   6   0.456  -8.948   2.247
   63   3HD1  ILE   6           HD2      ILE   6  -0.515  -8.186   0.996
   64    H    LEU   7           HN       LEU   7   4.261  -3.761   3.350
   65    HA   LEU   7           HA       LEU   7   5.539  -2.692   0.957
   66   1HB   LEU   7           HB2      LEU   7   6.161  -2.594   3.895
   67   2HB   LEU   7           HB1      LEU   7   7.304  -1.985   2.703
   68    HG   LEU   7           HG       LEU   7   4.462  -1.115   2.423
   69   1HD1  LEU   7          HD13      LEU   7   6.354  -0.045   4.547
   70   2HD1  LEU   7          HD12      LEU   7   4.819   0.690   4.096
   71   3HD1  LEU   7          HD11      LEU   7   4.845  -0.900   4.851
   72   1HD2  LEU   7          HD21      LEU   7   6.297  -0.424   0.866
   73   2HD2  LEU   7          HD23      LEU   7   5.564   0.950   1.689
   74   3HD2  LEU   7          HD22      LEU   7   7.125   0.335   2.223
   75    H    ASN   8           HN       ASN   8   6.619  -4.050  -0.330
   76    HA   ASN   8           HA       ASN   8   8.295  -6.169   0.936
   77   1HB   ASN   8           HB2      ASN   8   6.671  -5.982  -1.479
   78   2HB   ASN   8           HB1      ASN   8   8.281  -6.570  -1.828
   79   1HD2  ASN   8          HD22      ASN   8   5.713  -9.143  -0.451
   80   2HD2  ASN   8          HD21      ASN   8   5.379  -7.763  -1.370
   81    H    GLY   9           HN       GLY   9   9.143  -3.498   1.043
   82   1HA   GLY   9           HA2      GLY   9  10.875  -2.766  -1.103
   83   2HA   GLY   9           HA1      GLY   9  11.005  -2.156   0.537
   84    H    LYS  10           HN       LYS  10  13.009  -3.142  -1.483
   85    HA   LYS  10           HA       LYS  10  14.098  -5.615  -0.417
   86   1HB   LYS  10           HB2      LYS  10  16.037  -5.125  -1.839
   87   2HB   LYS  10           HB1      LYS  10  14.544  -4.856  -2.733
   88   1HG   LYS  10           HG2      LYS  10  14.706  -2.409  -2.045
   89   2HG   LYS  10           HG1      LYS  10  16.326  -2.765  -1.455
   90   1HD   LYS  10           HD2      LYS  10  15.344  -3.208  -4.295
   91   2HD   LYS  10           HD1      LYS  10  16.410  -1.909  -3.773
   92   1HE   LYS  10           HE2      LYS  10  17.972  -3.472  -4.513
   93   2HE   LYS  10           HE1      LYS  10  17.860  -3.907  -2.812
   94   1HZ   LYS  10           HZ1      LYS  10  15.886  -5.199  -4.443
   95   2HZ   LYS  10           HZ3      LYS  10  17.477  -5.586  -4.895
   96   3HZ   LYS  10           HZ2      LYS  10  16.956  -5.859  -3.301
   97    H    THR  11           HN       THR  11  14.524  -2.215   0.206
   98    HA   THR  11           HA       THR  11  16.742  -2.769   2.088
   99    HB   THR  11           HB       THR  11  16.424  -0.104   2.310
  100    HG1  THR  11           HG1      THR  11  14.461  -0.509   0.959
  101   1HG2  THR  11          HG21      THR  11  17.708  -1.767   0.168
  102   2HG2  THR  11          HG23      THR  11  17.577  -0.035  -0.120
  103   3HG2  THR  11          HG22      THR  11  18.460  -0.630   1.282
  104    H    LEU  12           HN       LEU  12  13.404  -2.670   2.081
  105    HA   LEU  12           HA       LEU  12  13.284  -2.810   4.986
  106   1HB   LEU  12           HB2      LEU  12  13.456  -0.311   4.458
  107   2HB   LEU  12           HB1      LEU  12  11.852  -0.458   3.749
  108    HG   LEU  12           HG       LEU  12  11.416  -1.718   6.108
  109   1HD1  LEU  12          HD13      LEU  12  13.791  -1.250   6.805
  110   2HD1  LEU  12          HD12      LEU  12  13.427   0.471   6.732
  111   3HD1  LEU  12          HD11      LEU  12  12.597  -0.556   7.897
  112   1HD2  LEU  12          HD23      LEU  12  11.287   1.206   5.362
  113   2HD2  LEU  12          HD22      LEU  12   9.972   0.038   5.441
  114   3HD2  LEU  12          HD21      LEU  12  10.701   0.645   6.924
  115    H    LYS  13           HN       LYS  13  11.425  -3.788   5.672
  116    HA   LYS  13           HA       LYS  13   9.249  -4.179   3.654
  117   1HB   LYS  13           HB2      LYS  13  10.433  -6.264   5.502
  118   2HB   LYS  13           HB1      LYS  13   9.000  -6.507   4.512
  119   1HG   LYS  13           HG2      LYS  13  10.235  -6.336   2.489
  120   2HG   LYS  13           HG1      LYS  13  11.616  -5.603   3.297
  121   1HD   LYS  13           HD2      LYS  13  10.809  -8.285   4.291
  122   2HD   LYS  13           HD1      LYS  13  11.498  -8.243   2.672
  123   1HE   LYS  13           HE2      LYS  13  12.791  -6.897   5.060
  124   2HE   LYS  13           HE1      LYS  13  13.194  -8.529   4.543
  125   1HZ   LYS  13           HZ3      LYS  13  13.591  -7.455   2.278
  126   2HZ   LYS  13           HZ2      LYS  13  13.636  -5.983   3.124
  127   3HZ   LYS  13           HZ1      LYS  13  14.752  -7.209   3.491
  128    H    GLY  14           HN       GLY  14   7.179  -4.086   4.446
  129   1HA   GLY  14           HA2      GLY  14   6.647  -4.221   7.312
  130   2HA   GLY  14           HA1      GLY  14   6.529  -2.587   6.668
  131    H    GLU  15           HN       GLU  15   4.272  -2.815   7.394
  132    HA   GLU  15           HA       GLU  15   2.503  -3.325   5.209
  133   1HB   GLU  15           HB2      GLU  15   1.245  -5.224   6.492
  134   2HB   GLU  15           HB1      GLU  15   2.658  -5.644   5.530
  135   1HG   GLU  15           HG2      GLU  15   4.028  -5.905   7.419
  136   2HG   GLU  15           HG1      GLU  15   3.005  -4.883   8.424
  137    H    THR  16           HN       THR  16   0.845  -1.968   5.551
  138    HA   THR  16           HA       THR  16  -0.180  -1.602   8.309
  139    HB   THR  16           HB       THR  16   1.338   0.234   8.296
  140    HG1  THR  16           HG1      THR  16  -0.634   1.042   8.803
  141   1HG2  THR  16          HG21      THR  16   0.378   0.788   5.463
  142   2HG2  THR  16          HG23      THR  16   1.528   1.772   6.359
  143   3HG2  THR  16          HG22      THR  16   1.960   0.136   5.872
  144    H    THR  17           HN       THR  17  -2.297  -0.780   8.410
  145    HA   THR  17           HA       THR  17  -3.783  -1.010   5.834
  146    HB   THR  17           HB       THR  17  -5.690  -1.724   7.128
  147    HG1  THR  17           HG1      THR  17  -5.635  -0.196   8.722
  148   1HG2  THR  17          HG22      THR  17  -3.281  -3.102   7.396
  149   2HG2  THR  17          HG21      THR  17  -3.772  -2.842   9.067
  150   3HG2  THR  17          HG23      THR  17  -4.843  -3.693   7.957
  151    H    THR  18           HN       THR  18  -5.135   0.585   5.143
  152    HA   THR  18           HA       THR  18  -5.340   3.047   6.829
  153    HB   THR  18           HB       THR  18  -3.612   3.131   4.838
  154    HG1  THR  18           HG1      THR  18  -5.422   5.159   4.535
  155   1HG2  THR  18          HG23      THR  18  -5.593   2.249   3.273
  156   2HG2  THR  18          HG22      THR  18  -6.081   3.939   3.321
  157   3HG2  THR  18          HG21      THR  18  -4.498   3.497   2.689
  158    H    GLU  19           HN       GLU  19  -7.248   4.221   6.600
  159    HA   GLU  19           HA       GLU  19  -9.484   2.682   5.416
  160   1HB   GLU  19           HB2      GLU  19  -9.877   3.432   7.661
  161   2HB   GLU  19           HB1      GLU  19  -9.376   5.071   7.264
  162   1HG   GLU  19           HG2      GLU  19 -11.360   5.560   6.174
  163   2HG   GLU  19           HG1      GLU  19 -11.611   3.893   5.663
  164    H    ALA  20           HN       ALA  20  -9.914   3.084   3.345
  165    HA   ALA  20           HA       ALA  20  -9.871   5.930   2.410
  166   1HB   ALA  20           HB2      ALA  20  -8.652   3.493   1.248
  167   2HB   ALA  20           HB1      ALA  20  -9.480   4.547   0.108
  168   3HB   ALA  20           HB3      ALA  20  -8.162   5.174   1.093
  169    H    VAL  21           HN       VAL  21 -11.389   6.389   0.665
  170    HA   VAL  21           HA       VAL  21 -13.905   4.898   1.076
  171    HB   VAL  21           HB       VAL  21 -14.133   7.279   1.170
  172   1HG1  VAL  21          HG12      VAL  21 -12.660   7.250  -1.484
  173   2HG1  VAL  21          HG11      VAL  21 -13.439   8.679  -0.810
  174   3HG1  VAL  21          HG13      VAL  21 -12.085   7.934   0.034
  175   1HG2  VAL  21          HG21      VAL  21 -15.734   5.804  -0.333
  176   2HG2  VAL  21          HG23      VAL  21 -15.885   7.558  -0.352
  177   3HG2  VAL  21          HG22      VAL  21 -15.024   6.733  -1.648
  178    H    ASP  22           HN       ASP  22 -11.462   5.352  -1.361
  179    HA   ASP  22           HA       ASP  22 -12.848   3.328  -3.036
  180   1HB   ASP  22           HB2      ASP  22 -12.201   4.770  -5.078
  181   2HB   ASP  22           HB1      ASP  22 -13.596   5.287  -4.136
  182    H    ALA  23           HN       ALA  23 -11.376   2.577  -4.839
  183    HA   ALA  23           HA       ALA  23  -8.839   1.801  -3.714
  184   1HB   ALA  23           HB1      ALA  23 -10.146   1.483  -6.403
  185   2HB   ALA  23           HB3      ALA  23  -8.460   1.026  -6.181
  186   3HB   ALA  23           HB2      ALA  23  -9.717   0.243  -5.229
  187    H    ALA  24           HN       ALA  24  -9.877   4.468  -5.636
  188    HA   ALA  24           HA       ALA  24  -7.341   5.143  -6.817
  189   1HB   ALA  24           HB2      ALA  24  -9.850   6.066  -7.169
  190   2HB   ALA  24           HB1      ALA  24  -9.225   7.334  -6.120
  191   3HB   ALA  24           HB3      ALA  24  -8.427   6.984  -7.650
  192    H    THR  25           HN       THR  25  -9.033   6.831  -4.173
  193    HA   THR  25           HA       THR  25  -6.794   8.304  -3.289
  194    HB   THR  25           HB       THR  25  -9.146   8.746  -2.511
  195    HG1  THR  25           HG1      THR  25  -7.564   9.635  -1.281
  196   1HG2  THR  25          HG23      THR  25  -9.068   6.023  -1.751
  197   2HG2  THR  25          HG22      THR  25  -8.949   6.924  -0.244
  198   3HG2  THR  25          HG21      THR  25 -10.318   7.185  -1.319
  199    H    ALA  26           HN       ALA  26  -7.538   4.956  -2.899
  200    HA   ALA  26           HA       ALA  26  -5.910   4.496  -0.553
  201   1HB   ALA  26           HB2      ALA  26  -7.687   2.927  -1.489
  202   2HB   ALA  26           HB1      ALA  26  -6.513   2.479  -2.722
  203   3HB   ALA  26           HB3      ALA  26  -6.170   2.164  -1.022
  204    H    GLU  27           HN       GLU  27  -5.318   4.434  -4.027
  205    HA   GLU  27           HA       GLU  27  -2.657   3.390  -3.927
  206   1HB   GLU  27           HB2      GLU  27  -4.261   4.975  -5.890
  207   2HB   GLU  27           HB1      GLU  27  -2.520   4.914  -6.121
  208   1HG   GLU  27           HG2      GLU  27  -2.621   2.418  -6.039
  209   2HG   GLU  27           HG1      GLU  27  -4.373   2.520  -5.887
  210    H    LYS  28           HN       LYS  28  -3.850   6.730  -4.047
  211    HA   LYS  28           HA       LYS  28  -1.225   7.900  -3.768
  212   1HB   LYS  28           HB2      LYS  28  -2.493   9.591  -4.574
  213   2HB   LYS  28           HB1      LYS  28  -3.978   8.810  -4.061
  214   1HG   LYS  28           HG2      LYS  28  -3.747   9.728  -1.805
  215   2HG   LYS  28           HG1      LYS  28  -2.161  10.394  -2.203
  216   1HD   LYS  28           HD2      LYS  28  -3.172  11.854  -3.894
  217   2HD   LYS  28           HD1      LYS  28  -4.755  11.149  -3.586
  218   1HE   LYS  28           HE2      LYS  28  -5.071  12.658  -1.941
  219   2HE   LYS  28           HE1      LYS  28  -3.723  11.945  -1.063
  220   1HZ   LYS  28           HZ3      LYS  28  -2.971  13.707  -3.225
  221   2HZ   LYS  28           HZ2      LYS  28  -3.785  14.463  -1.940
  222   3HZ   LYS  28           HZ1      LYS  28  -2.357  13.593  -1.645
  223    H    VAL  29           HN       VAL  29  -3.849   7.209  -1.492
  224    HA   VAL  29           HA       VAL  29  -2.732   8.459   0.794
  225    HB   VAL  29           HB       VAL  29  -4.502   6.037   0.483
  226   1HG1  VAL  29          HG12      VAL  29  -3.359   7.320   2.965
  227   2HG1  VAL  29          HG11      VAL  29  -4.913   6.493   3.008
  228   3HG1  VAL  29          HG13      VAL  29  -3.457   5.607   2.565
  229   1HG2  VAL  29          HG23      VAL  29  -5.078   8.641   0.096
  230   2HG2  VAL  29          HG22      VAL  29  -6.245   7.521   0.793
  231   3HG2  VAL  29          HG21      VAL  29  -5.297   8.571   1.841
  232    H    PHE  30           HN       PHE  30  -2.506   5.018  -0.120
  233    HA   PHE  30           HA       PHE  30  -0.569   4.375   1.881
  234   1HB   PHE  30           HB2      PHE  30  -1.504   3.078  -0.651
  235   2HB   PHE  30           HB1      PHE  30  -0.035   2.475   0.104
  236    HD1  PHE  30           HD1      PHE  30  -0.344   2.315   2.861
  237    HD2  PHE  30           HD2      PHE  30  -3.436   1.908  -0.048
  238    HE1  PHE  30           HE1      PHE  30  -1.714   1.068   4.475
  239    HE2  PHE  30           HE2      PHE  30  -4.771   0.639   1.568
  240    HZ   PHE  30           HZ       PHE  30  -3.906   0.181   3.814
  241    H    LYS  31           HN       LYS  31  -0.230   5.383  -1.497
  242    HA   LYS  31           HA       LYS  31   2.570   5.030  -1.744
  243   1HB   LYS  31           HB2      LYS  31   1.111   5.621  -3.642
  244   2HB   LYS  31           HB1      LYS  31   0.856   7.219  -2.948
  245   1HG   LYS  31           HG2      LYS  31   3.243   7.730  -3.145
  246   2HG   LYS  31           HG1      LYS  31   3.574   6.097  -3.712
  247   1HD   LYS  31           HD2      LYS  31   1.483   7.201  -5.336
  248   2HD   LYS  31           HD1      LYS  31   2.792   8.375  -5.258
  249   1HE   LYS  31           HE2      LYS  31   4.403   6.548  -5.856
  250   2HE   LYS  31           HE1      LYS  31   3.039   5.453  -6.047
  251   1HZ   LYS  31           HZ1      LYS  31   3.185   8.006  -7.521
  252   2HZ   LYS  31           HZ3      LYS  31   3.929   6.597  -8.109
  253   3HZ   LYS  31           HZ2      LYS  31   2.248   6.633  -7.868
  254    H    GLN  32           HN       GLN  32   0.720   7.733  -0.409
  255    HA   GLN  32           HA       GLN  32   2.902   9.499   0.046
  256   1HB   GLN  32           HB2      GLN  32   0.785  10.458   0.393
  257   2HB   GLN  32           HB1      GLN  32   0.234   9.109   1.381
  258   1HG   GLN  32           HG2      GLN  32   1.458   9.823   3.262
  259   2HG   GLN  32           HG1      GLN  32   2.561  10.796   2.292
  260   1HE2  GLN  32          HE22      GLN  32  -1.191  12.424   2.421
  261   2HE2  GLN  32          HE21      GLN  32  -0.974  10.825   1.893
  262    OH   TYR  33           OH       TYR  33   4.873   2.753   8.275
  263    H    TYR  33           HN       TYR  33   1.696   6.750   1.859
  264    HA   TYR  33           HA       TYR  33   3.353   7.176   4.187
  265   1HB   TYR  33           HB2      TYR  33   1.340   5.750   4.256
  266   2HB   TYR  33           HB1      TYR  33   2.106   4.623   3.142
  267    HD1  TYR  33           HD1      TYR  33   4.218   3.439   3.852
  268    HD2  TYR  33           HD2      TYR  33   1.884   5.707   6.591
  269    HE1  TYR  33           HE1      TYR  33   5.335   2.325   5.723
  270    HE2  TYR  33           HE2      TYR  33   3.001   4.589   8.466
  271    HH   TYR  33           HH       TYR  33   5.820   2.778   8.115
  272    H    ALA  34           HN       ALA  34   3.598   4.705   1.637
  273    HA   ALA  34           HA       ALA  34   6.109   3.667   2.244
  274   1HB   ALA  34           HB2      ALA  34   4.387   3.297   0.197
  275   2HB   ALA  34           HB1      ALA  34   5.639   4.212  -0.636
  276   3HB   ALA  34           HB3      ALA  34   6.043   2.700   0.168
  277    H    ASN  35           HN       ASN  35   5.400   6.577   0.352
  278    HA   ASN  35           HA       ASN  35   8.043   7.248  -0.393
  279   1HB   ASN  35           HB2      ASN  35   5.677   8.383  -0.880
  280   2HB   ASN  35           HB1      ASN  35   6.196   9.444   0.427
  281   1HD2  ASN  35          HD22      ASN  35   8.042  11.301  -1.919
  282   2HD2  ASN  35          HD21      ASN  35   6.878  11.300  -0.683
  283    H    ASP  36           HN       ASP  36   6.335   7.727   2.631
  284    HA   ASP  36           HA       ASP  36   8.457   9.372   3.788
  285   1HB   ASP  36           HB2      ASP  36   5.923   8.131   4.830
  286   2HB   ASP  36           HB1      ASP  36   7.097   8.831   5.942
  287    H    ASN  37           HN       ASN  37   8.861   6.503   2.784
  288    HA   ASN  37           HA       ASN  37  10.416   5.615   5.167
  289   1HB   ASN  37           HB2      ASN  37   8.380   4.023   3.626
  290   2HB   ASN  37           HB1      ASN  37   9.713   3.215   4.447
  291   1HD2  ASN  37          HD22      ASN  37   6.947   5.232   6.737
  292   2HD2  ASN  37          HD21      ASN  37   7.233   5.742   5.144
  293    H    GLY  38           HN       GLY  38   9.896   5.562   1.709
  294   1HA   GLY  38           HA2      GLY  38  11.819   5.766   0.200
  295   2HA   GLY  38           HA1      GLY  38  12.773   4.841   1.355
  296    H    VAL  39           HN       VAL  39   9.558   4.245  -0.032
  297    HA   VAL  39           HA       VAL  39  10.638   1.828  -1.395
  298    HB   VAL  39           HB       VAL  39   8.235   1.818   0.454
  299   1HG1  VAL  39          HG12      VAL  39   9.453  -0.206  -1.432
  300   2HG1  VAL  39          HG11      VAL  39   8.511  -0.722  -0.036
  301   3HG1  VAL  39          HG13      VAL  39   7.765   0.273  -1.282
  302   1HG2  VAL  39          HG22      VAL  39  10.989   0.549   0.673
  303   2HG2  VAL  39          HG21      VAL  39  10.361   1.843   1.687
  304   3HG2  VAL  39          HG23      VAL  39   9.652   0.235   1.774
  305    H    ASP  40           HN       ASP  40  10.277   2.800  -3.391
  306    HA   ASP  40           HA       ASP  40   7.418   2.920  -4.191
  307   1HB   ASP  40           HB2      ASP  40   9.379   5.097  -4.942
  308   2HB   ASP  40           HB1      ASP  40   7.643   5.069  -5.241
  309    H    GLY  41           HN       GLY  41   7.068   2.071  -6.173
  310   1HA   GLY  41           HA2      GLY  41   8.794   2.147  -8.401
  311   2HA   GLY  41           HA1      GLY  41   9.188   0.672  -7.520
  312    H    GLU  42           HN       GLU  42   7.580  -0.950  -7.301
  313    HA   GLU  42           HA       GLU  42   5.466  -0.802  -9.413
  314   1HB   GLU  42           HB2      GLU  42   6.554  -3.244  -8.021
  315   2HB   GLU  42           HB1      GLU  42   5.540  -3.213  -9.457
  316   1HG   GLU  42           HG2      GLU  42   7.427  -1.806 -10.534
  317   2HG   GLU  42           HG1      GLU  42   8.425  -2.340  -9.184
  318    CH2  TRP  43           CH2      TRP  43   2.134   2.472  -2.090
  319    H    TRP  43           HN       TRP  43   3.393  -0.763  -8.807
  320    HA   TRP  43           HA       TRP  43   2.749  -1.422  -5.955
  321   1HB   TRP  43           HB2      TRP  43   1.751   0.707  -7.817
  322   2HB   TRP  43           HB1      TRP  43   0.774   0.191  -6.455
  323    HD1  TRP  43           HD1      TRP  43   4.385   1.377  -7.175
  324    HE1  TRP  43           HE1      TRP  43   5.110   2.718  -5.139
  325    HE3  TRP  43           HE3      TRP  43   0.399   0.642  -4.300
  326    HZ2  TRP  43           HZ2      TRP  43   4.058   3.330  -2.429
  327    HZ3  TRP  43           HZ3      TRP  43   0.233   1.510  -2.024
  328    HH2  TRP  43           HH2      TRP  43   2.060   2.849  -1.081
  329    H    THR  44           HN       THR  44   1.216  -2.897  -5.573
  330    HA   THR  44           HA       THR  44  -0.458  -3.838  -7.873
  331    HB   THR  44           HB       THR  44  -0.282  -6.147  -6.642
  332    HG1  THR  44           HG1      THR  44   2.127  -5.653  -5.726
  333   1HG2  THR  44          HG23      THR  44   2.072  -4.802  -8.017
  334   2HG2  THR  44          HG22      THR  44   2.099  -6.499  -7.548
  335   3HG2  THR  44          HG21      THR  44   0.927  -5.932  -8.735
  336    OH   TYR  45           OH       TYR  45  -8.904  -1.336  -2.945
  337    H    TYR  45           HN       TYR  45  -2.523  -4.617  -7.365
  338    HA   TYR  45           HA       TYR  45  -3.569  -3.840  -4.660
  339   1HB   TYR  45           HB2      TYR  45  -4.196  -2.404  -6.736
  340   2HB   TYR  45           HB1      TYR  45  -5.191  -3.779  -7.216
  341    HD1  TYR  45           HD1      TYR  45  -6.586  -4.705  -4.855
  342    HD2  TYR  45           HD2      TYR  45  -5.472  -0.719  -5.814
  343    HE1  TYR  45           HE1      TYR  45  -8.331  -3.862  -3.376
  344    HE2  TYR  45           HE2      TYR  45  -7.250   0.127  -4.368
  345    HH   TYR  45           HH       TYR  45  -9.672  -1.148  -3.489
  346    H    ASP  46           HN       ASP  46  -4.475  -5.495  -3.576
  347    HA   ASP  46           HA       ASP  46  -5.073  -8.004  -5.075
  348   1HB   ASP  46           HB2      ASP  46  -3.520  -7.831  -2.958
  349   2HB   ASP  46           HB1      ASP  46  -5.044  -7.834  -2.080
  350    H    ASP  47           HN       ASP  47  -7.061  -6.744  -5.803
  351    HA   ASP  47           HA       ASP  47  -9.165  -6.120  -3.972
  352   1HB   ASP  47           HB2      ASP  47  -9.232  -5.268  -6.238
  353   2HB   ASP  47           HB1      ASP  47  -9.255  -6.902  -6.896
  354    H    ALA  48           HN       ALA  48  -7.779  -9.032  -4.475
  355    HA   ALA  48           HA       ALA  48 -10.234 -10.654  -4.456
  356   1HB   ALA  48           HB2      ALA  48  -7.881 -11.225  -5.504
  357   2HB   ALA  48           HB1      ALA  48  -7.519 -11.778  -3.872
  358   3HB   ALA  48           HB3      ALA  48  -8.851 -12.497  -4.770
  359    H    THR  49           HN       THR  49  -8.323  -9.042  -2.188
  360    HA   THR  49           HA       THR  49  -9.806 -10.321   0.010
  361    HB   THR  49           HB       THR  49  -7.524 -10.669   1.261
  362    HG1  THR  49           HG1      THR  49  -5.813 -10.768  -0.137
  363   1HG2  THR  49          HG23      THR  49  -9.017 -12.524   0.186
  364   2HG2  THR  49          HG22      THR  49  -7.895 -12.440  -1.168
  365   3HG2  THR  49          HG21      THR  49  -7.315 -12.902   0.430
  366    H    LYS  50           HN       LYS  50  -9.160  -7.619  -1.355
  367    HA   LYS  50           HA       LYS  50  -8.889  -5.388  -0.651
  368   1HB   LYS  50           HB2      LYS  50  -9.780  -6.540   2.009
  369   2HB   LYS  50           HB1      LYS  50  -9.848  -4.848   1.535
  370   1HG   LYS  50           HG2      LYS  50 -11.209  -6.863  -0.226
  371   2HG   LYS  50           HG1      LYS  50 -11.985  -6.423   1.288
  372   1HD   LYS  50           HD2      LYS  50 -12.279  -4.203   0.649
  373   2HD   LYS  50           HD1      LYS  50 -10.927  -4.244  -0.474
  374   1HE   LYS  50           HE2      LYS  50 -13.364  -4.266  -1.433
  375   2HE   LYS  50           HE1      LYS  50 -12.164  -5.345  -2.134
  376   1HZ   LYS  50           HZ2      LYS  50 -13.517  -6.477   0.126
  377   2HZ   LYS  50           HZ1      LYS  50 -14.569  -6.092  -1.151
  378   3HZ   LYS  50           HZ3      LYS  50 -13.250  -7.128  -1.420
  379    H    THR  51           HN       THR  51  -6.534  -6.324  -0.906
  380    HA   THR  51           HA       THR  51  -5.058  -5.433   1.520
  381    HB   THR  51           HB       THR  51  -4.880  -8.158   0.219
  382    HG1  THR  51           HG1      THR  51  -4.392  -7.745   2.865
  383   1HG2  THR  51          HG22      THR  51  -2.732  -6.759   1.852
  384   2HG2  THR  51          HG21      THR  51  -2.772  -8.483   1.528
  385   3HG2  THR  51          HG23      THR  51  -2.540  -7.344   0.206
  386    H    PHE  52           HN       PHE  52  -3.722  -3.824   0.813
  387    HA   PHE  52           HA       PHE  52  -3.027  -3.641  -2.018
  388   1HB   PHE  52           HB2      PHE  52  -2.964  -1.894   0.295
  389   2HB   PHE  52           HB1      PHE  52  -1.473  -1.797  -0.632
  390    HD1  PHE  52           HD1      PHE  52  -1.542  -1.123  -3.049
  391    HD2  PHE  52           HD2      PHE  52  -5.050  -1.195  -0.680
  392    HE1  PHE  52           HE1      PHE  52  -2.744   0.188  -4.757
  393    HE2  PHE  52           HE2      PHE  52  -6.204   0.203  -2.295
  394    HZ   PHE  52           HZ       PHE  52  -5.042   0.944  -4.317
  395    H    THR  53           HN       THR  53  -0.750  -3.480  -2.720
  396    HA   THR  53           HA       THR  53   1.290  -4.538  -0.904
  397    HB   THR  53           HB       THR  53   0.488  -6.143  -3.359
  398    HG1  THR  53           HG1      THR  53   0.131  -6.347  -0.549
  399   1HG2  THR  53          HG23      THR  53   2.875  -6.087  -1.701
  400   2HG2  THR  53          HG22      THR  53   2.010  -7.601  -1.452
  401   3HG2  THR  53          HG21      THR  53   2.527  -7.139  -3.070
  402    H    VAL  54           HN       VAL  54   3.231  -3.737  -1.430
  403    HA   VAL  54           HA       VAL  54   3.669  -2.798  -4.232
  404    HB   VAL  54           HB       VAL  54   3.030  -0.881  -2.726
  405   1HG1  VAL  54          HG12      VAL  54   4.147  -1.944  -0.715
  406   2HG1  VAL  54          HG11      VAL  54   5.691  -1.436  -1.393
  407   3HG1  VAL  54          HG13      VAL  54   4.488  -0.234  -0.940
  408   1HG2  VAL  54          HG21      VAL  54   5.841  -0.976  -3.860
  409   2HG2  VAL  54          HG23      VAL  54   4.392  -0.372  -4.647
  410   3HG2  VAL  54          HG22      VAL  54   5.084   0.500  -3.287
  411    H    THR  55           HN       THR  55   5.834  -2.876  -4.893
  412    HA   THR  55           HA       THR  55   7.811  -4.017  -2.988
  413    HB   THR  55           HB       THR  55   7.129  -5.353  -5.645
  414    HG1  THR  55           HG1      THR  55   6.920  -6.711  -3.295
  415   1HG2  THR  55          HG22      THR  55   9.335  -5.620  -3.671
  416   2HG2  THR  55          HG21      THR  55   8.517  -7.127  -4.074
  417   3HG2  THR  55          HG23      THR  55   9.267  -6.165  -5.340
  418    H    GLU  56           HN       GLU  56   9.588  -2.776  -3.198
  419    HA   GLU  56           HA       GLU  56  10.025  -1.019  -5.433
  420   1HB   GLU  56           HB2      GLU  56  11.115  -1.326  -2.885
  421   2HB   GLU  56           HB1      GLU  56  12.455  -1.676  -3.965
  422   1HG   GLU  56           HG2      GLU  56  10.680   0.788  -4.107
  423   2HG   GLU  56           HG1      GLU  56  12.318   0.749  -3.462
   
  Start of MODEL          15
 Raw file had 423 H/Q atoms
  Entry Start of MODEL   15
    1   1H    MET   1           HT3      MET   1 -13.672   2.372   3.778
    2   2H    MET   1           HT2      MET   1 -13.545   1.616   2.262
    3   3H    MET   1           HT1      MET   1 -14.960   1.438   3.183
    4    HA   MET   1           HA       MET   1 -13.888   0.113   4.788
    5   1HB   MET   1           HB2      MET   1 -12.645  -0.870   2.232
    6   2HB   MET   1           HB1      MET   1 -13.377  -1.804   3.531
    7   1HG   MET   1           HG2      MET   1 -15.552  -0.556   2.928
    8   2HG   MET   1           HG1      MET   1 -14.738  -0.097   1.455
    9   1HE   MET   1           HE1      MET   1 -13.827  -1.607  -0.241
   10   2HE   MET   1           HE3      MET   1 -14.894  -2.863  -0.871
   11   3HE   MET   1           HE2      MET   1 -15.497  -1.219  -0.654
   12    H    THR   2           HN       THR   2 -11.617  -1.354   4.641
   13    HA   THR   2           HA       THR   2  -9.367   0.599   4.532
   14    HB   THR   2           HB       THR   2  -9.743  -1.293   6.882
   15    HG1  THR   2           HG1      THR   2 -10.224   1.491   6.813
   16   1HG2  THR   2          HG23      THR   2  -7.511   0.088   6.129
   17   2HG2  THR   2          HG22      THR   2  -8.359   1.341   7.031
   18   3HG2  THR   2          HG21      THR   2  -7.939  -0.176   7.815
   19    OH   TYR   3           OH       TYR   3 -11.576   0.240  -0.919
   20    H    TYR   3           HN       TYR   3  -7.792  -0.240   3.315
   21    HA   TYR   3           HA       TYR   3  -7.695  -3.201   2.968
   22   1HB   TYR   3           HB2      TYR   3  -6.075  -1.231   1.371
   23   2HB   TYR   3           HB1      TYR   3  -6.605  -2.842   0.914
   24    HD1  TYR   3           HD1      TYR   3  -7.904   0.572   1.709
   25    HD2  TYR   3           HD2      TYR   3  -8.650  -3.137  -0.223
   26    HE1  TYR   3           HE1      TYR   3  -9.934   1.503   0.695
   27    HE2  TYR   3           HE2      TYR   3 -10.672  -2.204  -1.244
   28    HH   TYR   3           HH       TYR   3 -12.010   0.794  -0.265
   29    H    LYS   4           HN       LYS   4  -5.529  -4.205   2.863
   30    HA   LYS   4           HA       LYS   4  -3.754  -3.020   4.960
   31   1HB   LYS   4           HB2      LYS   4  -4.909  -5.442   5.006
   32   2HB   LYS   4           HB1      LYS   4  -3.481  -5.859   4.076
   33   1HG   LYS   4           HG2      LYS   4  -2.276  -4.436   6.021
   34   2HG   LYS   4           HG1      LYS   4  -3.685  -4.985   6.922
   35   1HD   LYS   4           HD2      LYS   4  -1.756  -6.759   5.391
   36   2HD   LYS   4           HD1      LYS   4  -1.840  -6.602   7.142
   37   1HE   LYS   4           HE2      LYS   4  -3.268  -8.376   7.011
   38   2HE   LYS   4           HE1      LYS   4  -4.453  -7.169   6.529
   39   1HZ   LYS   4           HZ2      LYS   4  -2.778  -8.144   4.389
   40   2HZ   LYS   4           HZ1      LYS   4  -3.803  -9.312   5.075
   41   3HZ   LYS   4           HZ3      LYS   4  -4.456  -7.883   4.429
   42    H    LEU   5           HN       LEU   5  -1.839  -2.247   4.287
   43    HA   LEU   5           HA       LEU   5  -0.950  -2.897   1.549
   44   1HB   LEU   5           HB2      LEU   5  -0.821  -0.565   2.110
   45   2HB   LEU   5           HB1      LEU   5  -0.030  -0.897   3.641
   46    HG   LEU   5           HG       LEU   5   1.986  -1.748   2.324
   47   1HD1  LEU   5          HD13      LEU   5   0.439  -0.541   0.009
   48   2HD1  LEU   5          HD12      LEU   5   2.103  -1.096  -0.062
   49   3HD1  LEU   5          HD11      LEU   5   0.807  -2.251   0.200
   50   1HD2  LEU   5          HD22      LEU   5   1.699   0.619   3.221
   51   2HD2  LEU   5          HD21      LEU   5   2.830   0.444   1.883
   52   3HD2  LEU   5          HD23      LEU   5   1.216   1.078   1.592
   53    H    ILE   6           HN       ILE   6   1.084  -3.806   1.090
   54    HA   ILE   6           HA       ILE   6   2.567  -4.997   3.349
   55    HB   ILE   6           HB       ILE   6   1.778  -6.358   0.769
   56   1HG1  ILE   6          HG12      ILE   6   1.364  -7.382   3.574
   57   2HG1  ILE   6          HG11      ILE   6   0.241  -6.214   2.900
   58   1HG2  ILE   6          HG21      ILE   6   4.016  -6.806   2.656
   59   2HG2  ILE   6          HG23      ILE   6   3.086  -8.246   2.267
   60   3HG2  ILE   6          HG22      ILE   6   3.845  -7.318   0.981
   61   1HD1  ILE   6           HD1      ILE   6   0.974  -8.830   1.545
   62   2HD1  ILE   6           HD3      ILE   6  -0.473  -8.587   2.512
   63   3HD1  ILE   6           HD2      ILE   6  -0.248  -7.683   1.019
   64    H    LEU   7           HN       LEU   7   4.370  -3.776   3.307
   65    HA   LEU   7           HA       LEU   7   5.511  -2.845   0.794
   66   1HB   LEU   7           HB2      LEU   7   6.428  -2.666   3.661
   67   2HB   LEU   7           HB1      LEU   7   7.348  -1.994   2.319
   68    HG   LEU   7           HG       LEU   7   4.494  -1.274   2.261
   69   1HD1  LEU   7          HD11      LEU   7   6.277  -0.329   4.534
   70   2HD1  LEU   7          HD13      LEU   7   4.723   0.386   4.113
   71   3HD1  LEU   7          HD12      LEU   7   4.799  -1.272   4.698
   72   1HD2  LEU   7          HD23      LEU   7   6.384  -0.326   0.856
   73   2HD2  LEU   7          HD22      LEU   7   5.415   0.887   1.687
   74   3HD2  LEU   7          HD21      LEU   7   6.997   0.441   2.318
   75    H    ASN   8           HN       ASN   8   6.783  -3.997  -0.476
   76    HA   ASN   8           HA       ASN   8   8.279  -6.288   0.720
   77   1HB   ASN   8           HB2      ASN   8   6.755  -5.923  -1.703
   78   2HB   ASN   8           HB1      ASN   8   8.395  -6.383  -2.110
   79   1HD2  ASN   8          HD22      ASN   8   5.976  -9.236  -1.047
   80   2HD2  ASN   8          HD21      ASN   8   5.565  -7.784  -1.810
   81    H    GLY   9           HN       GLY   9   9.237  -3.687   1.105
   82   1HA   GLY   9           HA2      GLY   9  11.046  -2.630  -0.740
   83   2HA   GLY   9           HA1      GLY   9  11.318  -2.583   0.998
   84    H    LYS  10           HN       LYS  10  13.142  -3.035  -1.328
   85    HA   LYS  10           HA       LYS  10  14.018  -5.698  -1.550
   86   1HB   LYS  10           HB2      LYS  10  14.869  -3.550  -2.738
   87   2HB   LYS  10           HB1      LYS  10  15.971  -3.415  -1.372
   88   1HG   LYS  10           HG2      LYS  10  17.291  -4.751  -2.697
   89   2HG   LYS  10           HG1      LYS  10  16.327  -6.029  -1.966
   90   1HD   LYS  10           HD2      LYS  10  14.668  -5.591  -3.930
   91   2HD   LYS  10           HD1      LYS  10  16.027  -4.772  -4.693
   92   1HE   LYS  10           HE2      LYS  10  16.226  -7.000  -5.460
   93   2HE   LYS  10           HE1      LYS  10  17.372  -6.921  -4.128
   94   1HZ   LYS  10           HZ1      LYS  10  14.583  -7.890  -3.866
   95   2HZ   LYS  10           HZ3      LYS  10  15.930  -8.900  -4.089
   96   3HZ   LYS  10           HZ2      LYS  10  15.803  -7.953  -2.686
   97    H    THR  11           HN       THR  11  14.767  -3.281   0.902
   98    HA   THR  11           HA       THR  11  15.853  -5.465   2.619
   99    HB   THR  11           HB       THR  11  17.308  -3.387   3.509
  100    HG1  THR  11           HG1      THR  11  16.548  -2.901   0.816
  101   1HG2  THR  11          HG23      THR  11  17.915  -4.801   0.885
  102   2HG2  THR  11          HG22      THR  11  19.098  -4.009   1.922
  103   3HG2  THR  11          HG21      THR  11  18.278  -5.467   2.473
  104    H    LEU  12           HN       LEU  12  13.320  -3.563   2.255
  105    HA   LEU  12           HA       LEU  12  12.978  -3.238   5.206
  106   1HB   LEU  12           HB2      LEU  12  13.677  -1.049   4.113
  107   2HB   LEU  12           HB1      LEU  12  12.142  -1.089   3.253
  108    HG   LEU  12           HG       LEU  12  11.196  -1.526   5.725
  109   1HD1  LEU  12          HD13      LEU  12  13.465  -1.538   6.738
  110   2HD1  LEU  12          HD12      LEU  12  13.721   0.105   6.160
  111   3HD1  LEU  12          HD11      LEU  12  12.486  -0.220   7.371
  112   1HD2  LEU  12          HD23      LEU  12  12.019   1.132   4.516
  113   2HD2  LEU  12          HD22      LEU  12  10.461   0.327   4.358
  114   3HD2  LEU  12          HD21      LEU  12  10.954   0.994   5.911
  115    H    LYS  13           HN       LYS  13  11.483  -4.845   5.383
  116    HA   LYS  13           HA       LYS  13   9.080  -4.705   3.626
  117   1HB   LYS  13           HB2      LYS  13  10.296  -6.883   5.305
  118   2HB   LYS  13           HB1      LYS  13   8.617  -6.983   4.792
  119   1HG   LYS  13           HG2      LYS  13   9.176  -7.354   2.603
  120   2HG   LYS  13           HG1      LYS  13  10.542  -6.245   2.658
  121   1HD   LYS  13           HD2      LYS  13  11.864  -7.918   3.903
  122   2HD   LYS  13           HD1      LYS  13  10.496  -9.024   3.885
  123   1HE   LYS  13           HE2      LYS  13  11.306  -9.808   1.921
  124   2HE   LYS  13           HE1      LYS  13  10.805  -8.283   1.204
  125   1HZ   LYS  13           HZ2      LYS  13  13.035  -7.421   2.027
  126   2HZ   LYS  13           HZ1      LYS  13  13.466  -9.052   2.214
  127   3HZ   LYS  13           HZ3      LYS  13  13.039  -8.457   0.682
  128    H    GLY  14           HN       GLY  14   7.132  -4.131   4.433
  129   1HA   GLY  14           HA2      GLY  14   6.673  -4.199   7.353
  130   2HA   GLY  14           HA1      GLY  14   6.622  -2.609   6.598
  131    H    GLU  15           HN       GLU  15   4.368  -2.703   7.466
  132    HA   GLU  15           HA       GLU  15   2.505  -3.212   5.362
  133   1HB   GLU  15           HB2      GLU  15   1.203  -5.020   6.673
  134   2HB   GLU  15           HB1      GLU  15   2.633  -5.530   5.785
  135   1HG   GLU  15           HG2      GLU  15   3.941  -5.697   7.746
  136   2HG   GLU  15           HG1      GLU  15   2.852  -4.668   8.669
  137    H    THR  16           HN       THR  16   0.715  -2.009   5.714
  138    HA   THR  16           HA       THR  16  -0.186  -1.442   8.460
  139    HB   THR  16           HB       THR  16   1.630   0.295   7.908
  140    HG1  THR  16           HG1      THR  16  -0.382   0.424   9.285
  141   1HG2  THR  16          HG22      THR  16   0.386   0.506   5.473
  142   2HG2  THR  16          HG21      THR  16  -0.447   1.769   6.372
  143   3HG2  THR  16          HG23      THR  16   1.304   1.822   6.199
  144    H    THR  17           HN       THR  17  -2.299  -0.547   8.534
  145    HA   THR  17           HA       THR  17  -3.796  -0.891   5.969
  146    HB   THR  17           HB       THR  17  -5.675  -1.581   7.263
  147    HG1  THR  17           HG1      THR  17  -5.486   0.305   8.604
  148   1HG2  THR  17          HG23      THR  17  -3.283  -2.866   7.805
  149   2HG2  THR  17          HG22      THR  17  -3.802  -2.375   9.413
  150   3HG2  THR  17          HG21      THR  17  -4.845  -3.390   8.423
  151    H    THR  18           HN       THR  18  -5.132   0.701   5.212
  152    HA   THR  18           HA       THR  18  -5.321   3.223   6.804
  153    HB   THR  18           HB       THR  18  -3.538   3.231   4.860
  154    HG1  THR  18           HG1      THR  18  -4.939   5.354   4.322
  155   1HG2  THR  18          HG23      THR  18  -5.503   2.343   3.266
  156   2HG2  THR  18          HG22      THR  18  -5.940   4.047   3.245
  157   3HG2  THR  18          HG21      THR  18  -4.352   3.537   2.678
  158    H    GLU  19           HN       GLU  19  -7.212   4.404   6.509
  159    HA   GLU  19           HA       GLU  19  -9.466   2.850   5.441
  160   1HB   GLU  19           HB2      GLU  19  -9.800   4.007   7.545
  161   2HB   GLU  19           HB1      GLU  19  -9.322   5.540   6.822
  162   1HG   GLU  19           HG2      GLU  19 -11.331   5.800   5.720
  163   2HG   GLU  19           HG1      GLU  19 -11.542   4.067   5.479
  164    H    ALA  20           HN       ALA  20 -10.207   3.051   3.432
  165    HA   ALA  20           HA       ALA  20  -9.913   5.667   2.036
  166   1HB   ALA  20           HB3      ALA  20  -8.505   3.213   1.402
  167   2HB   ALA  20           HB2      ALA  20  -9.519   3.720   0.054
  168   3HB   ALA  20           HB1      ALA  20  -8.307   4.816   0.705
  169    H    VAL  21           HN       VAL  21 -11.616   6.183   0.733
  170    HA   VAL  21           HA       VAL  21 -14.021   4.537   0.997
  171    HB   VAL  21           HB       VAL  21 -14.384   6.884   1.121
  172   1HG1  VAL  21          HG13      VAL  21 -12.643   6.954  -1.351
  173   2HG1  VAL  21          HG12      VAL  21 -13.676   8.313  -0.918
  174   3HG1  VAL  21          HG11      VAL  21 -12.398   7.794   0.177
  175   1HG2  VAL  21          HG22      VAL  21 -15.852   5.414  -0.506
  176   2HG2  VAL  21          HG21      VAL  21 -16.054   7.164  -0.499
  177   3HG2  VAL  21          HG23      VAL  21 -15.098   6.393  -1.761
  178    H    ASP  22           HN       ASP  22 -11.559   5.058  -1.383
  179    HA   ASP  22           HA       ASP  22 -12.880   3.044  -3.117
  180   1HB   ASP  22           HB2      ASP  22 -12.468   4.430  -5.138
  181   2HB   ASP  22           HB1      ASP  22 -13.605   5.199  -4.033
  182    H    ALA  23           HN       ALA  23 -11.391   2.235  -4.813
  183    HA   ALA  23           HA       ALA  23  -8.834   1.571  -3.688
  184   1HB   ALA  23           HB1      ALA  23 -10.234   1.090  -6.272
  185   2HB   ALA  23           HB3      ALA  23  -8.485   0.890  -6.260
  186   3HB   ALA  23           HB2      ALA  23  -9.487  -0.063  -5.170
  187    H    ALA  24           HN       ALA  24  -9.912   4.066  -5.876
  188    HA   ALA  24           HA       ALA  24  -7.364   4.820  -6.935
  189   1HB   ALA  24           HB2      ALA  24  -9.958   5.650  -7.310
  190   2HB   ALA  24           HB1      ALA  24  -9.248   7.030  -6.480
  191   3HB   ALA  24           HB3      ALA  24  -8.542   6.449  -7.985
  192    H    THR  25           HN       THR  25  -9.242   6.456  -4.384
  193    HA   THR  25           HA       THR  25  -7.150   8.156  -3.517
  194    HB   THR  25           HB       THR  25  -9.690   8.157  -2.846
  195    HG1  THR  25           HG1      THR  25  -8.231   8.659  -0.607
  196   1HG2  THR  25          HG21      THR  25  -9.217   5.818  -1.621
  197   2HG2  THR  25          HG23      THR  25  -8.596   6.876  -0.358
  198   3HG2  THR  25          HG22      THR  25 -10.272   7.015  -0.878
  199    H    ALA  26           HN       ALA  26  -7.598   4.785  -3.051
  200    HA   ALA  26           HA       ALA  26  -5.974   4.569  -0.642
  201   1HB   ALA  26           HB3      ALA  26  -7.642   2.846  -1.231
  202   2HB   ALA  26           HB2      ALA  26  -6.721   2.455  -2.679
  203   3HB   ALA  26           HB1      ALA  26  -6.032   2.146  -1.089
  204    H    GLU  27           HN       GLU  27  -5.409   4.299  -4.108
  205    HA   GLU  27           HA       GLU  27  -2.742   3.298  -3.995
  206   1HB   GLU  27           HB2      GLU  27  -4.201   4.997  -6.025
  207   2HB   GLU  27           HB1      GLU  27  -2.557   4.430  -6.275
  208   1HG   GLU  27           HG2      GLU  27  -3.387   2.076  -5.876
  209   2HG   GLU  27           HG1      GLU  27  -5.025   2.721  -5.856
  210    H    LYS  28           HN       LYS  28  -4.023   6.589  -3.983
  211    HA   LYS  28           HA       LYS  28  -1.373   7.803  -3.918
  212   1HB   LYS  28           HB2      LYS  28  -3.586   9.464  -2.952
  213   2HB   LYS  28           HB1      LYS  28  -2.474   9.747  -4.286
  214   1HG   LYS  28           HG2      LYS  28  -3.781   8.015  -5.610
  215   2HG   LYS  28           HG1      LYS  28  -4.969   8.028  -4.315
  216   1HD   LYS  28           HD2      LYS  28  -4.121  10.425  -5.968
  217   2HD   LYS  28           HD1      LYS  28  -5.658   9.579  -6.088
  218   1HE   LYS  28           HE2      LYS  28  -5.793  10.093  -3.495
  219   2HE   LYS  28           HE1      LYS  28  -4.648  11.366  -3.896
  220   1HZ   LYS  28           HZ1      LYS  28  -6.858  11.223  -5.715
  221   2HZ   LYS  28           HZ3      LYS  28  -7.337  11.537  -4.116
  222   3HZ   LYS  28           HZ2      LYS  28  -6.218  12.559  -4.885
  223    H    VAL  29           HN       VAL  29  -3.879   7.050  -1.556
  224    HA   VAL  29           HA       VAL  29  -2.738   8.423   0.662
  225    HB   VAL  29           HB       VAL  29  -4.466   5.951   0.498
  226   1HG1  VAL  29          HG11      VAL  29  -3.304   7.410   2.872
  227   2HG1  VAL  29          HG13      VAL  29  -4.848   6.575   3.000
  228   3HG1  VAL  29          HG12      VAL  29  -3.392   5.674   2.587
  229   1HG2  VAL  29          HG22      VAL  29  -5.111   8.518  -0.034
  230   2HG2  VAL  29          HG21      VAL  29  -6.240   7.409   0.738
  231   3HG2  VAL  29          HG23      VAL  29  -5.310   8.541   1.716
  232    H    PHE  30           HN       PHE  30  -2.547   4.934  -0.054
  233    HA   PHE  30           HA       PHE  30  -0.557   4.364   1.882
  234   1HB   PHE  30           HB2      PHE  30  -1.459   3.026  -0.641
  235   2HB   PHE  30           HB1      PHE  30   0.009   2.453   0.137
  236    HD1  PHE  30           HD1      PHE  30  -0.308   2.304   2.878
  237    HD2  PHE  30           HD2      PHE  30  -3.403   1.884  -0.024
  238    HE1  PHE  30           HE1      PHE  30  -1.676   1.068   4.501
  239    HE2  PHE  30           HE2      PHE  30  -4.741   0.635   1.603
  240    HZ   PHE  30           HZ       PHE  30  -3.876   0.195   3.854
  241    H    LYS  31           HN       LYS  31  -0.293   5.533  -1.421
  242    HA   LYS  31           HA       LYS  31   2.528   5.182  -1.718
  243   1HB   LYS  31           HB2      LYS  31   1.141   5.698  -3.641
  244   2HB   LYS  31           HB1      LYS  31   0.659   7.233  -2.923
  245   1HG   LYS  31           HG2      LYS  31   2.853   8.145  -3.135
  246   2HG   LYS  31           HG1      LYS  31   3.560   6.565  -3.451
  247   1HD   LYS  31           HD2      LYS  31   1.417   7.310  -5.335
  248   2HD   LYS  31           HD1      LYS  31   2.820   8.370  -5.401
  249   1HE   LYS  31           HE2      LYS  31   4.299   6.409  -5.671
  250   2HE   LYS  31           HE1      LYS  31   2.905   5.339  -5.580
  251   1HZ   LYS  31           HZ2      LYS  31   2.135   6.982  -7.516
  252   2HZ   LYS  31           HZ1      LYS  31   3.816   7.021  -7.758
  253   3HZ   LYS  31           HZ3      LYS  31   2.987   5.539  -7.797
  254    H    GLN  32           HN       GLN  32   0.602   7.671  -0.181
  255    HA   GLN  32           HA       GLN  32   2.757   9.553   0.189
  256   1HB   GLN  32           HB2      GLN  32   0.376  10.197   0.382
  257   2HB   GLN  32           HB1      GLN  32   0.223   9.180   1.810
  258   1HG   GLN  32           HG2      GLN  32   1.623  10.571   3.103
  259   2HG   GLN  32           HG1      GLN  32   2.346  11.319   1.681
  260   1HE2  GLN  32          HE22      GLN  32  -1.372  12.576   2.916
  261   2HE2  GLN  32          HE21      GLN  32  -0.830  11.028   3.352
  262    OH   TYR  33           OH       TYR  33   4.910   2.534   8.119
  263    H    TYR  33           HN       TYR  33   1.691   6.705   1.854
  264    HA   TYR  33           HA       TYR  33   3.180   7.204   4.297
  265   1HB   TYR  33           HB2      TYR  33   1.270   5.683   4.319
  266   2HB   TYR  33           HB1      TYR  33   2.051   4.648   3.129
  267    HD1  TYR  33           HD1      TYR  33   4.168   3.443   3.747
  268    HD2  TYR  33           HD2      TYR  33   1.871   5.546   6.642
  269    HE1  TYR  33           HE1      TYR  33   5.328   2.243   5.539
  270    HE2  TYR  33           HE2      TYR  33   3.031   4.344   8.436
  271    HH   TYR  33           HH       TYR  33   4.630   2.909   8.957
  272    H    ALA  34           HN       ALA  34   3.664   4.925   1.613
  273    HA   ALA  34           HA       ALA  34   6.198   3.955   2.308
  274   1HB   ALA  34           HB2      ALA  34   4.662   4.242  -0.188
  275   2HB   ALA  34           HB1      ALA  34   6.404   4.154  -0.416
  276   3HB   ALA  34           HB3      ALA  34   5.562   2.858   0.424
  277    H    ASN  35           HN       ASN  35   5.307   7.068   1.051
  278    HA   ASN  35           HA       ASN  35   7.901   7.899   0.144
  279   1HB   ASN  35           HB2      ASN  35   5.933   9.145  -0.525
  280   2HB   ASN  35           HB1      ASN  35   5.536   9.499   1.155
  281   1HD2  ASN  35          HD22      ASN  35   7.342  12.500   0.881
  282   2HD2  ASN  35          HD21      ASN  35   5.893  11.729   1.313
  283    H    ASP  36           HN       ASP  36   6.338   7.882   3.275
  284    HA   ASP  36           HA       ASP  36   8.343   9.522   4.584
  285   1HB   ASP  36           HB2      ASP  36   5.991   7.912   5.414
  286   2HB   ASP  36           HB1      ASP  36   7.235   8.159   6.635
  287    H    ASN  37           HN       ASN  37   8.941   6.878   3.052
  288    HA   ASN  37           HA       ASN  37  10.921   5.912   5.052
  289   1HB   ASN  37           HB2      ASN  37   9.186   4.072   3.388
  290   2HB   ASN  37           HB1      ASN  37  10.403   3.583   4.563
  291   1HD2  ASN  37          HD22      ASN  37   6.914   5.262   5.966
  292   2HD2  ASN  37          HD21      ASN  37   7.484   5.702   4.429
  293    H    GLY  38           HN       GLY  38   9.795   5.454   1.717
  294   1HA   GLY  38           HA2      GLY  38  11.422   6.319  -0.049
  295   2HA   GLY  38           HA1      GLY  38  12.661   5.440   0.841
  296    H    VAL  39           HN       VAL  39   9.363   4.631  -0.227
  297    HA   VAL  39           HA       VAL  39  10.507   2.291  -1.701
  298    HB   VAL  39           HB       VAL  39   8.008   2.316   0.015
  299   1HG1  VAL  39          HG13      VAL  39   9.167   0.381  -1.969
  300   2HG1  VAL  39          HG12      VAL  39   8.337  -0.256  -0.554
  301   3HG1  VAL  39          HG11      VAL  39   7.482   0.795  -1.676
  302   1HG2  VAL  39          HG21      VAL  39  10.133   2.228   1.297
  303   2HG2  VAL  39          HG23      VAL  39   9.270   0.696   1.389
  304   3HG2  VAL  39          HG22      VAL  39  10.659   0.860   0.319
  305    H    ASP  40           HN       ASP  40  10.276   3.198  -3.732
  306    HA   ASP  40           HA       ASP  40   7.466   3.485  -4.659
  307   1HB   ASP  40           HB2      ASP  40   9.616   5.586  -4.833
  308   2HB   ASP  40           HB1      ASP  40   8.310   5.533  -6.014
  309    H    GLY  41           HN       GLY  41   7.253   2.128  -6.309
  310   1HA   GLY  41           HA2      GLY  41   8.987   2.238  -8.618
  311   2HA   GLY  41           HA1      GLY  41   9.301   0.787  -7.671
  312    H    GLU  42           HN       GLU  42   7.569  -0.717  -7.354
  313    HA   GLU  42           HA       GLU  42   5.480  -0.559  -9.500
  314   1HB   GLU  42           HB2      GLU  42   6.403  -3.080  -8.161
  315   2HB   GLU  42           HB1      GLU  42   5.593  -2.906  -9.712
  316   1HG   GLU  42           HG2      GLU  42   8.429  -2.045  -9.040
  317   2HG   GLU  42           HG1      GLU  42   7.955  -3.347 -10.127
  318    CH2  TRP  43           CH2      TRP  43   2.080   2.608  -2.161
  319    H    TRP  43           HN       TRP  43   3.395  -0.638  -8.900
  320    HA   TRP  43           HA       TRP  43   2.789  -1.254  -6.027
  321   1HB   TRP  43           HB2      TRP  43   1.757   0.851  -7.896
  322   2HB   TRP  43           HB1      TRP  43   0.778   0.321  -6.540
  323    HD1  TRP  43           HD1      TRP  43   4.366   1.581  -7.243
  324    HE1  TRP  43           HE1      TRP  43   5.052   2.937  -5.205
  325    HE3  TRP  43           HE3      TRP  43   0.389   0.746  -4.381
  326    HZ2  TRP  43           HZ2      TRP  43   3.983   3.512  -2.494
  327    HZ3  TRP  43           HZ3      TRP  43   0.202   1.597  -2.101
  328    HH2  TRP  43           HH2      TRP  43   1.995   2.978  -1.150
  329    H    THR  44           HN       THR  44   1.204  -2.695  -5.595
  330    HA   THR  44           HA       THR  44  -0.421  -3.686  -7.917
  331    HB   THR  44           HB       THR  44   0.061  -5.918  -7.399
  332    HG1  THR  44           HG1      THR  44  -0.684  -5.982  -5.352
  333   1HG2  THR  44          HG23      THR  44   2.306  -4.485  -7.563
  334   2HG2  THR  44          HG22      THR  44   2.406  -4.846  -5.843
  335   3HG2  THR  44          HG21      THR  44   2.372  -6.158  -7.018
  336    OH   TYR  45           OH       TYR  45  -8.866  -1.450  -2.988
  337    H    TYR  45           HN       TYR  45  -2.353  -4.948  -7.164
  338    HA   TYR  45           HA       TYR  45  -3.488  -3.926  -4.599
  339   1HB   TYR  45           HB2      TYR  45  -4.109  -2.538  -6.708
  340   2HB   TYR  45           HB1      TYR  45  -5.086  -3.932  -7.172
  341    HD1  TYR  45           HD1      TYR  45  -6.484  -4.818  -4.795
  342    HD2  TYR  45           HD2      TYR  45  -5.427  -0.847  -5.849
  343    HE1  TYR  45           HE1      TYR  45  -8.251  -3.974  -3.348
  344    HE2  TYR  45           HE2      TYR  45  -7.232   0.001  -4.440
  345    HH   TYR  45           HH       TYR  45  -9.022  -0.533  -3.221
  346    H    ASP  46           HN       ASP  46  -4.392  -5.574  -3.493
  347    HA   ASP  46           HA       ASP  46  -4.979  -8.110  -4.958
  348   1HB   ASP  46           HB2      ASP  46  -3.397  -7.955  -2.889
  349   2HB   ASP  46           HB1      ASP  46  -4.891  -7.858  -1.961
  350    H    ASP  47           HN       ASP  47  -6.978  -6.828  -5.665
  351    HA   ASP  47           HA       ASP  47  -9.055  -6.180  -3.825
  352   1HB   ASP  47           HB2      ASP  47  -9.183  -5.373  -6.094
  353   2HB   ASP  47           HB1      ASP  47  -9.168  -7.015  -6.731
  354    H    ALA  48           HN       ALA  48  -7.719  -9.142  -4.468
  355    HA   ALA  48           HA       ALA  48 -10.164 -10.740  -4.310
  356   1HB   ALA  48           HB2      ALA  48  -7.360 -11.204  -4.844
  357   2HB   ALA  48           HB1      ALA  48  -7.958 -12.361  -3.658
  358   3HB   ALA  48           HB3      ALA  48  -8.743 -12.223  -5.228
  359    H    THR  49           HN       THR  49  -8.224  -9.093  -2.093
  360    HA   THR  49           HA       THR  49  -9.675 -10.342   0.146
  361    HB   THR  49           HB       THR  49  -7.376 -10.644   1.373
  362    HG1  THR  49           HG1      THR  49  -6.687 -10.680  -1.391
  363   1HG2  THR  49          HG22      THR  49  -8.858 -12.532   0.323
  364   2HG2  THR  49          HG21      THR  49  -7.732 -12.453  -1.030
  365   3HG2  THR  49          HG23      THR  49  -7.151 -12.886   0.574
  366    H    LYS  50           HN       LYS  50  -9.047  -7.663  -1.287
  367    HA   LYS  50           HA       LYS  50  -8.787  -5.419  -0.641
  368   1HB   LYS  50           HB2      LYS  50  -9.753  -6.549   2.000
  369   2HB   LYS  50           HB1      LYS  50  -9.759  -4.846   1.552
  370   1HG   LYS  50           HG2      LYS  50 -11.679  -5.093   0.386
  371   2HG   LYS  50           HG1      LYS  50 -11.017  -6.452  -0.514
  372   1HD   LYS  50           HD2      LYS  50 -12.985  -7.162   0.793
  373   2HD   LYS  50           HD1      LYS  50 -11.531  -7.955   1.391
  374   1HE   LYS  50           HE2      LYS  50 -11.921  -5.391   2.702
  375   2HE   LYS  50           HE1      LYS  50 -13.342  -6.410   2.893
  376   1HZ   LYS  50           HZ3      LYS  50 -10.689  -7.580   3.327
  377   2HZ   LYS  50           HZ2      LYS  50 -11.357  -6.590   4.534
  378   3HZ   LYS  50           HZ1      LYS  50 -12.180  -7.988   4.031
  379    H    THR  51           HN       THR  51  -6.421  -6.364  -0.827
  380    HA   THR  51           HA       THR  51  -4.986  -5.369   1.589
  381    HB   THR  51           HB       THR  51  -4.770  -8.128   0.366
  382    HG1  THR  51           HG1      THR  51  -4.270  -7.489   3.006
  383   1HG2  THR  51          HG23      THR  51  -2.609  -6.668   1.934
  384   2HG2  THR  51          HG22      THR  51  -2.636  -8.398   1.639
  385   3HG2  THR  51          HG21      THR  51  -2.433  -7.281   0.296
  386    H    PHE  52           HN       PHE  52  -3.678  -3.756   0.853
  387    HA   PHE  52           HA       PHE  52  -2.965  -3.611  -1.974
  388   1HB   PHE  52           HB2      PHE  52  -2.980  -1.830   0.302
  389   2HB   PHE  52           HB1      PHE  52  -1.471  -1.711  -0.592
  390    HD1  PHE  52           HD1      PHE  52  -1.510  -1.126  -3.038
  391    HD2  PHE  52           HD2      PHE  52  -5.049  -1.158  -0.706
  392    HE1  PHE  52           HE1      PHE  52  -2.700   0.119  -4.798
  393    HE2  PHE  52           HE2      PHE  52  -6.190   0.194  -2.380
  394    HZ   PHE  52           HZ       PHE  52  -5.006   0.875  -4.413
  395    H    THR  53           HN       THR  53  -0.675  -3.364  -2.657
  396    HA   THR  53           HA       THR  53   1.398  -4.324  -0.834
  397    HB   THR  53           HB       THR  53   0.416  -6.089  -3.102
  398    HG1  THR  53           HG1      THR  53  -0.085  -7.348  -1.398
  399   1HG2  THR  53          HG21      THR  53   3.076  -5.836  -1.821
  400   2HG2  THR  53          HG23      THR  53   2.386  -7.454  -1.733
  401   3HG2  THR  53          HG22      THR  53   2.637  -6.688  -3.299
  402    H    VAL  54           HN       VAL  54   3.310  -3.481  -1.408
  403    HA   VAL  54           HA       VAL  54   3.682  -2.607  -4.246
  404    HB   VAL  54           HB       VAL  54   3.068  -0.674  -2.739
  405   1HG1  VAL  54          HG13      VAL  54   4.254  -1.699  -0.749
  406   2HG1  VAL  54          HG12      VAL  54   5.770  -1.190  -1.480
  407   3HG1  VAL  54          HG11      VAL  54   4.573   0.009  -1.006
  408   1HG2  VAL  54          HG22      VAL  54   5.845  -0.756  -3.952
  409   2HG2  VAL  54          HG21      VAL  54   4.372  -0.164  -4.698
  410   3HG2  VAL  54          HG23      VAL  54   5.093   0.720  -3.365
  411    H    THR  55           HN       THR  55   5.856  -2.638  -4.942
  412    HA   THR  55           HA       THR  55   7.839  -3.842  -3.075
  413    HB   THR  55           HB       THR  55   7.203  -4.979  -5.831
  414    HG1  THR  55           HG1      THR  55   7.047  -6.512  -3.580
  415   1HG2  THR  55          HG21      THR  55   9.434  -5.322  -3.906
  416   2HG2  THR  55          HG23      THR  55   8.647  -6.824  -4.382
  417   3HG2  THR  55          HG22      THR  55   9.352  -5.775  -5.604
  418    H    GLU  56           HN       GLU  56   9.590  -2.587  -3.136
  419    HA   GLU  56           HA       GLU  56  10.067  -0.559  -5.067
  420   1HB   GLU  56           HB2      GLU  56  11.208  -1.302  -2.667
  421   2HB   GLU  56           HB1      GLU  56  12.494  -1.647  -3.818
  422   1HG   GLU  56           HG2      GLU  56  10.998   0.991  -3.586
  423   2HG   GLU  56           HG1      GLU  56  12.636   0.691  -3.017
   
  Start of MODEL          16
 Raw file had 423 H/Q atoms
  Entry Start of MODEL   16
    1   1H    MET   1           HT1      MET   1 -13.617   0.022   5.307
    2   2H    MET   1           HT3      MET   1 -14.489   1.099   4.325
    3   3H    MET   1           HT2      MET   1 -15.028  -0.500   4.519
    4    HA   MET   1           HA       MET   1 -13.515  -1.362   3.094
    5   1HB   MET   1           HB2      MET   1 -13.520   1.503   2.119
    6   2HB   MET   1           HB1      MET   1 -13.312   0.050   1.147
    7   1HG   MET   1           HG2      MET   1 -15.783   0.907   2.657
    8   2HG   MET   1           HG1      MET   1 -15.592   0.839   0.926
    9   1HE   MET   1           HE3      MET   1 -15.395  -1.239  -0.470
   10   2HE   MET   1           HE2      MET   1 -16.693  -2.400  -0.189
   11   3HE   MET   1           HE1      MET   1 -17.051  -0.674  -0.240
   12    H    THR   2           HN       THR   2 -11.880  -1.435   4.959
   13    HA   THR   2           HA       THR   2  -9.574   0.387   4.460
   14    HB   THR   2           HB       THR   2  -9.759  -1.610   6.734
   15    HG1  THR   2           HG1      THR   2 -11.112  -0.233   7.688
   16   1HG2  THR   2          HG22      THR   2  -7.693  -0.030   6.101
   17   2HG2  THR   2          HG21      THR   2  -8.703   1.203   6.852
   18   3HG2  THR   2          HG23      THR   2  -8.196  -0.205   7.780
   19    OH   TYR   3           OH       TYR   3 -11.579   0.250  -1.030
   20    H    TYR   3           HN       TYR   3  -7.908  -0.332   3.288
   21    HA   TYR   3           HA       TYR   3  -7.700  -3.264   2.778
   22   1HB   TYR   3           HB2      TYR   3  -6.102  -1.141   1.360
   23   2HB   TYR   3           HB1      TYR   3  -6.547  -2.744   0.789
   24    HD1  TYR   3           HD1      TYR   3  -7.947   0.597   1.651
   25    HD2  TYR   3           HD2      TYR   3  -8.606  -3.093  -0.355
   26    HE1  TYR   3           HE1      TYR   3  -9.973   1.517   0.620
   27    HE2  TYR   3           HE2      TYR   3 -10.631  -2.176  -1.384
   28    HH   TYR   3           HH       TYR   3 -11.677   1.158  -0.734
   29    H    LYS   4           HN       LYS   4  -5.477  -4.171   2.674
   30    HA   LYS   4           HA       LYS   4  -3.777  -2.993   4.845
   31   1HB   LYS   4           HB2      LYS   4  -4.977  -5.389   4.940
   32   2HB   LYS   4           HB1      LYS   4  -3.541  -5.856   4.054
   33   1HG   LYS   4           HG2      LYS   4  -2.345  -4.408   5.976
   34   2HG   LYS   4           HG1      LYS   4  -3.785  -4.899   6.862
   35   1HD   LYS   4           HD2      LYS   4  -3.283  -7.282   6.024
   36   2HD   LYS   4           HD1      LYS   4  -1.699  -6.665   5.570
   37   1HE   LYS   4           HE2      LYS   4  -2.917  -6.883   8.322
   38   2HE   LYS   4           HE1      LYS   4  -1.357  -7.474   7.764
   39   1HZ   LYS   4           HZ2      LYS   4  -0.845  -5.011   7.379
   40   2HZ   LYS   4           HZ1      LYS   4  -2.160  -4.717   8.414
   41   3HZ   LYS   4           HZ3      LYS   4  -0.823  -5.603   8.971
   42    H    LEU   5           HN       LEU   5  -1.934  -2.147   4.086
   43    HA   LEU   5           HA       LEU   5  -0.947  -2.889   1.433
   44   1HB   LEU   5           HB2      LEU   5  -0.804  -0.551   2.014
   45   2HB   LEU   5           HB1      LEU   5  -0.007  -0.912   3.538
   46    HG   LEU   5           HG       LEU   5   1.984  -1.788   2.198
   47   1HD1  LEU   5          HD13      LEU   5   0.450  -0.519  -0.093
   48   2HD1  LEU   5          HD12      LEU   5   2.107  -1.104  -0.179
   49   3HD1  LEU   5          HD11      LEU   5   0.788  -2.237   0.072
   50   1HD2  LEU   5          HD22      LEU   5   1.775   0.554   3.136
   51   2HD2  LEU   5          HD21      LEU   5   2.862   0.396   1.762
   52   3HD2  LEU   5          HD23      LEU   5   1.252   1.063   1.535
   53    H    ILE   6           HN       ILE   6   1.099  -3.761   1.004
   54    HA   ILE   6           HA       ILE   6   2.494  -5.068   3.262
   55    HB   ILE   6           HB       ILE   6   1.691  -6.221   0.601
   56   1HG1  ILE   6          HG12      ILE   6   1.530  -7.304   3.439
   57   2HG1  ILE   6          HG11      ILE   6   0.214  -6.451   2.645
   58   1HG2  ILE   6          HG21      ILE   6   3.966  -6.990   2.431
   59   2HG2  ILE   6          HG23      ILE   6   3.181  -8.199   1.422
   60   3HG2  ILE   6          HG22      ILE   6   3.981  -6.820   0.679
   61   1HD1  ILE   6           HD1      ILE   6   0.783  -8.330   0.746
   62   2HD1  ILE   6           HD3      ILE   6   1.213  -9.216   2.204
   63   3HD1  ILE   6           HD2      ILE   6  -0.411  -8.569   2.013
   64    H    LEU   7           HN       LEU   7   4.271  -3.784   3.385
   65    HA   LEU   7           HA       LEU   7   5.533  -2.698   0.992
   66   1HB   LEU   7           HB2      LEU   7   6.272  -2.629   3.912
   67   2HB   LEU   7           HB1      LEU   7   7.245  -1.864   2.662
   68    HG   LEU   7           HG       LEU   7   4.357  -1.248   2.517
   69   1HD1  LEU   7          HD12      LEU   7   6.071  -0.232   4.813
   70   2HD1  LEU   7          HD11      LEU   7   4.466   0.366   4.400
   71   3HD1  LEU   7          HD13      LEU   7   4.670  -1.288   4.971
   72   1HD2  LEU   7          HD21      LEU   7   6.101  -0.178   1.106
   73   2HD2  LEU   7          HD23      LEU   7   5.270   1.009   2.106
   74   3HD2  LEU   7          HD22      LEU   7   6.877   0.450   2.556
   75    H    ASN   8           HN       ASN   8   6.731  -3.939  -0.298
   76    HA   ASN   8           HA       ASN   8   8.373  -6.097   0.938
   77   1HB   ASN   8           HB2      ASN   8   6.865  -5.807  -1.541
   78   2HB   ASN   8           HB1      ASN   8   8.504  -6.346  -1.845
   79   1HD2  ASN   8          HD22      ASN   8   5.958  -9.067  -0.775
   80   2HD2  ASN   8          HD21      ASN   8   5.655  -7.663  -1.670
   81    H    GLY   9           HN       GLY   9   9.239  -3.455   1.254
   82   1HA   GLY   9           HA2      GLY   9  11.019  -2.502  -0.730
   83   2HA   GLY   9           HA1      GLY   9  11.190  -2.167   0.986
   84    H    LYS  10           HN       LYS  10  13.148  -2.907  -1.192
   85    HA   LYS  10           HA       LYS  10  14.139  -5.544  -0.737
   86   1HB   LYS  10           HB2      LYS  10  15.212  -3.029  -1.905
   87   2HB   LYS  10           HB1      LYS  10  16.391  -4.242  -1.417
   88   1HG   LYS  10           HG2      LYS  10  15.406  -5.903  -2.840
   89   2HG   LYS  10           HG1      LYS  10  13.976  -4.916  -3.117
   90   1HD   LYS  10           HD2      LYS  10  15.019  -3.616  -4.689
   91   2HD   LYS  10           HD1      LYS  10  16.556  -3.638  -3.832
   92   1HE   LYS  10           HE2      LYS  10  16.999  -5.916  -4.609
   93   2HE   LYS  10           HE1      LYS  10  15.418  -5.991  -5.376
   94   1HZ   LYS  10           HZ1      LYS  10  16.959  -3.720  -6.199
   95   2HZ   LYS  10           HZ3      LYS  10  17.716  -5.196  -6.564
   96   3HZ   LYS  10           HZ2      LYS  10  16.148  -4.881  -7.137
   97    H    THR  11           HN       THR  11  15.276  -2.442   0.583
   98    HA   THR  11           HA       THR  11  16.816  -3.879   2.638
   99    HB   THR  11           HB       THR  11  17.886  -1.786   3.033
  100    HG1  THR  11           HG1      THR  11  16.285  -0.112   1.727
  101   1HG2  THR  11          HG21      THR  11  18.164  -2.526   0.598
  102   2HG2  THR  11          HG23      THR  11  16.837  -1.438   0.206
  103   3HG2  THR  11          HG22      THR  11  18.339  -0.795   0.861
  104    H    LEU  12           HN       LEU  12  13.662  -3.150   2.347
  105    HA   LEU  12           HA       LEU  12  13.292  -3.142   5.267
  106   1HB   LEU  12           HB2      LEU  12  13.593  -0.706   4.453
  107   2HB   LEU  12           HB1      LEU  12  12.000  -0.897   3.732
  108    HG   LEU  12           HG       LEU  12  11.481  -1.880   6.198
  109   1HD1  LEU  12          HD11      LEU  12  13.973  -1.261   6.718
  110   2HD1  LEU  12          HD13      LEU  12  13.368   0.391   6.804
  111   3HD1  LEU  12          HD12      LEU  12  12.736  -0.838   7.896
  112   1HD2  LEU  12          HD22      LEU  12  11.563   1.058   5.427
  113   2HD2  LEU  12          HD21      LEU  12  10.252  -0.062   5.066
  114   3HD2  LEU  12          HD23      LEU  12  10.598   0.381   6.735
  115    H    LYS  13           HN       LYS  13  11.217  -3.756   5.910
  116    HA   LYS  13           HA       LYS  13   9.181  -4.227   3.810
  117   1HB   LYS  13           HB2      LYS  13  10.281  -6.414   5.594
  118   2HB   LYS  13           HB1      LYS  13   8.866  -6.581   4.563
  119   1HG   LYS  13           HG2      LYS  13  10.458  -5.795   2.646
  120   2HG   LYS  13           HG1      LYS  13  11.752  -6.228   3.758
  121   1HD   LYS  13           HD2      LYS  13  10.443  -8.475   4.029
  122   2HD   LYS  13           HD1      LYS  13   9.648  -8.007   2.530
  123   1HE   LYS  13           HE2      LYS  13  12.003  -7.634   1.576
  124   2HE   LYS  13           HE1      LYS  13  12.600  -8.479   2.998
  125   1HZ   LYS  13           HZ1      LYS  13  10.659  -9.566   1.036
  126   2HZ   LYS  13           HZ3      LYS  13  12.305  -9.973   1.130
  127   3HZ   LYS  13           HZ2      LYS  13  11.255 -10.383   2.401
  128    H    GLY  14           HN       GLY  14   7.108  -4.080   4.585
  129   1HA   GLY  14           HA2      GLY  14   6.558  -4.312   7.449
  130   2HA   GLY  14           HA1      GLY  14   6.462  -2.661   6.846
  131    H    GLU  15           HN       GLU  15   4.199  -2.882   7.556
  132    HA   GLU  15           HA       GLU  15   2.435  -3.317   5.354
  133   1HB   GLU  15           HB2      GLU  15   1.168  -5.234   6.673
  134   2HB   GLU  15           HB1      GLU  15   2.483  -5.627   5.571
  135   1HG   GLU  15           HG2      GLU  15   3.983  -6.063   7.301
  136   2HG   GLU  15           HG1      GLU  15   3.148  -4.999   8.431
  137    H    THR  16           HN       THR  16   0.750  -2.011   5.722
  138    HA   THR  16           HA       THR  16  -0.242  -1.666   8.507
  139    HB   THR  16           HB       THR  16   1.401   0.195   8.138
  140    HG1  THR  16           HG1      THR  16  -0.742   0.323   9.231
  141   1HG2  THR  16          HG23      THR  16   0.287   0.246   5.542
  142   2HG2  THR  16          HG22      THR  16  -0.342   1.683   6.339
  143   3HG2  THR  16          HG21      THR  16   1.396   1.432   6.217
  144    H    THR  17           HN       THR  17  -2.299  -0.236   8.438
  145    HA   THR  17           HA       THR  17  -3.840  -0.897   5.948
  146    HB   THR  17           HB       THR  17  -5.688  -1.657   7.247
  147    HG1  THR  17           HG1      THR  17  -5.684  -1.058   9.514
  148   1HG2  THR  17          HG22      THR  17  -3.254  -2.847   7.808
  149   2HG2  THR  17          HG21      THR  17  -3.788  -2.354   9.409
  150   3HG2  THR  17          HG23      THR  17  -4.795  -3.420   8.434
  151    H    THR  18           HN       THR  18  -5.095   0.684   5.118
  152    HA   THR  18           HA       THR  18  -5.417   3.199   6.712
  153    HB   THR  18           HB       THR  18  -3.651   3.233   4.753
  154    HG1  THR  18           HG1      THR  18  -5.243   4.902   5.921
  155   1HG2  THR  18          HG22      THR  18  -5.591   2.253   3.189
  156   2HG2  THR  18          HG21      THR  18  -6.099   3.940   3.155
  157   3HG2  THR  18          HG23      THR  18  -4.498   3.490   2.576
  158    H    GLU  19           HN       GLU  19  -7.334   4.346   6.368
  159    HA   GLU  19           HA       GLU  19  -9.530   2.706   5.252
  160   1HB   GLU  19           HB2      GLU  19 -10.128   3.564   7.353
  161   2HB   GLU  19           HB1      GLU  19  -9.390   5.129   7.027
  162   1HG   GLU  19           HG2      GLU  19 -11.158   5.813   5.629
  163   2HG   GLU  19           HG1      GLU  19 -11.694   4.160   5.339
  164    H    ALA  20           HN       ALA  20 -10.281   3.043   3.262
  165    HA   ALA  20           HA       ALA  20 -10.164   5.786   2.113
  166   1HB   ALA  20           HB3      ALA  20  -8.702   3.404   1.176
  167   2HB   ALA  20           HB2      ALA  20  -9.598   4.249  -0.083
  168   3HB   ALA  20           HB1      ALA  20  -8.388   5.108   0.865
  169    H    VAL  21           HN       VAL  21 -11.867   6.280   0.776
  170    HA   VAL  21           HA       VAL  21 -14.165   4.469   0.898
  171    HB   VAL  21           HB       VAL  21 -14.314   6.982   1.123
  172   1HG1  VAL  21          HG11      VAL  21 -12.748   7.029  -1.103
  173   2HG1  VAL  21          HG13      VAL  21 -14.335   7.225  -1.837
  174   3HG1  VAL  21          HG12      VAL  21 -13.779   8.372  -0.623
  175   1HG2  VAL  21          HG21      VAL  21 -15.915   5.659  -1.095
  176   2HG2  VAL  21          HG23      VAL  21 -16.296   5.601   0.623
  177   3HG2  VAL  21          HG22      VAL  21 -16.384   7.128  -0.247
  178    H    ASP  22           HN       ASP  22 -11.700   5.271  -1.389
  179    HA   ASP  22           HA       ASP  22 -12.919   3.344  -3.298
  180   1HB   ASP  22           HB2      ASP  22 -12.507   4.837  -5.199
  181   2HB   ASP  22           HB1      ASP  22 -13.577   5.622  -4.041
  182    H    ALA  23           HN       ALA  23 -11.363   2.585  -4.921
  183    HA   ALA  23           HA       ALA  23  -8.856   1.887  -3.707
  184   1HB   ALA  23           HB3      ALA  23 -10.198   1.418  -6.305
  185   2HB   ALA  23           HB2      ALA  23  -8.441   1.299  -6.320
  186   3HB   ALA  23           HB1      ALA  23  -9.384   0.278  -5.239
  187    H    ALA  24           HN       ALA  24  -9.842   4.587  -5.606
  188    HA   ALA  24           HA       ALA  24  -7.269   5.267  -6.715
  189   1HB   ALA  24           HB2      ALA  24  -9.829   6.242  -6.996
  190   2HB   ALA  24           HB1      ALA  24  -9.040   7.529  -6.092
  191   3HB   ALA  24           HB3      ALA  24  -8.384   7.012  -7.642
  192    H    THR  25           HN       THR  25  -9.020   6.957  -4.104
  193    HA   THR  25           HA       THR  25  -6.760   8.363  -3.144
  194    HB   THR  25           HB       THR  25  -8.924   9.077  -2.329
  195    HG1  THR  25           HG1      THR  25  -7.304   7.717  -0.429
  196   1HG2  THR  25          HG21      THR  25  -9.666   6.431  -2.296
  197   2HG2  THR  25          HG23      THR  25  -9.305   6.689  -0.594
  198   3HG2  THR  25          HG22      THR  25 -10.517   7.678  -1.395
  199    H    ALA  26           HN       ALA  26  -7.600   5.038  -2.821
  200    HA   ALA  26           HA       ALA  26  -6.075   4.506  -0.422
  201   1HB   ALA  26           HB3      ALA  26  -7.823   2.972  -1.482
  202   2HB   ALA  26           HB2      ALA  26  -6.593   2.545  -2.668
  203   3HB   ALA  26           HB1      ALA  26  -6.335   2.186  -0.963
  204    H    GLU  27           HN       GLU  27  -5.368   4.358  -3.884
  205    HA   GLU  27           HA       GLU  27  -2.696   3.404  -3.683
  206   1HB   GLU  27           HB2      GLU  27  -4.086   5.169  -5.711
  207   2HB   GLU  27           HB1      GLU  27  -2.427   4.625  -5.912
  208   1HG   GLU  27           HG2      GLU  27  -3.259   2.252  -5.637
  209   2HG   GLU  27           HG1      GLU  27  -4.898   2.889  -5.677
  210    H    LYS  28           HN       LYS  28  -3.947   6.705  -3.950
  211    HA   LYS  28           HA       LYS  28  -1.438   8.032  -3.647
  212   1HB   LYS  28           HB2      LYS  28  -3.569   9.051  -4.501
  213   2HB   LYS  28           HB1      LYS  28  -4.176   9.052  -2.851
  214   1HG   LYS  28           HG2      LYS  28  -1.714  10.258  -2.542
  215   2HG   LYS  28           HG1      LYS  28  -2.206  10.839  -4.128
  216   1HD   LYS  28           HD2      LYS  28  -3.869  10.999  -1.588
  217   2HD   LYS  28           HD1      LYS  28  -3.043  12.347  -2.361
  218   1HE   LYS  28           HE2      LYS  28  -4.483  11.292  -4.458
  219   2HE   LYS  28           HE1      LYS  28  -5.571  11.024  -3.102
  220   1HZ   LYS  28           HZ2      LYS  28  -4.386  13.617  -3.032
  221   2HZ   LYS  28           HZ1      LYS  28  -5.244  13.354  -4.474
  222   3HZ   LYS  28           HZ3      LYS  28  -6.024  13.173  -2.976
  223    H    VAL  29           HN       VAL  29  -3.934   7.183  -1.264
  224    HA   VAL  29           HA       VAL  29  -2.744   8.410   0.993
  225    HB   VAL  29           HB       VAL  29  -4.443   5.924   0.734
  226   1HG1  VAL  29          HG13      VAL  29  -3.212   7.240   3.151
  227   2HG1  VAL  29          HG12      VAL  29  -4.770   6.431   3.283
  228   3HG1  VAL  29          HG11      VAL  29  -3.346   5.524   2.780
  229   1HG2  VAL  29          HG22      VAL  29  -5.113   8.527   0.385
  230   2HG2  VAL  29          HG21      VAL  29  -6.224   7.345   1.070
  231   3HG2  VAL  29          HG23      VAL  29  -5.306   8.409   2.132
  232    H    PHE  30           HN       PHE  30  -2.456   5.002  -0.019
  233    HA   PHE  30           HA       PHE  30  -0.408   4.378   1.877
  234   1HB   PHE  30           HB2      PHE  30  -1.375   3.098  -0.664
  235   2HB   PHE  30           HB1      PHE  30   0.084   2.498   0.111
  236    HD1  PHE  30           HD1      PHE  30  -0.241   2.298   2.847
  237    HD2  PHE  30           HD2      PHE  30  -3.340   1.978  -0.065
  238    HE1  PHE  30           HE1      PHE  30  -1.626   1.049   4.446
  239    HE2  PHE  30           HE2      PHE  30  -4.699   0.711   1.538
  240    HZ   PHE  30           HZ       PHE  30  -3.841   0.228   3.785
  241    H    LYS  31           HN       LYS  31  -0.264   5.451  -1.501
  242    HA   LYS  31           HA       LYS  31   2.549   5.207  -1.850
  243   1HB   LYS  31           HB2      LYS  31   0.889   5.724  -3.663
  244   2HB   LYS  31           HB1      LYS  31   0.781   7.365  -3.030
  245   1HG   LYS  31           HG2      LYS  31   3.531   6.916  -3.247
  246   2HG   LYS  31           HG1      LYS  31   2.866   6.143  -4.681
  247   1HD   LYS  31           HD2      LYS  31   1.583   8.238  -5.165
  248   2HD   LYS  31           HD1      LYS  31   2.372   9.004  -3.789
  249   1HE   LYS  31           HE2      LYS  31   3.937   7.725  -6.044
  250   2HE   LYS  31           HE1      LYS  31   3.451   9.415  -6.081
  251   1HZ   LYS  31           HZ1      LYS  31   4.534   9.235  -3.650
  252   2HZ   LYS  31           HZ3      LYS  31   5.484   8.109  -4.495
  253   3HZ   LYS  31           HZ2      LYS  31   5.387   9.716  -5.038
  254    H    GLN  32           HN       GLN  32   0.608   7.673  -0.293
  255    HA   GLN  32           HA       GLN  32   2.737   9.595   0.019
  256   1HB   GLN  32           HB2      GLN  32   0.245  10.039   0.283
  257   2HB   GLN  32           HB1      GLN  32   0.348   9.239   1.847
  258   1HG   GLN  32           HG2      GLN  32   2.461  10.974   2.014
  259   2HG   GLN  32           HG1      GLN  32   1.340  11.907   1.025
  260   1HE2  GLN  32          HE22      GLN  32   0.669  12.228   4.796
  261   2HE2  GLN  32          HE21      GLN  32   2.139  12.230   3.945
  262    OH   TYR  33           OH       TYR  33   5.054   2.701   8.025
  263    H    TYR  33           HN       TYR  33   1.758   6.731   1.705
  264    HA   TYR  33           HA       TYR  33   3.376   7.264   4.078
  265   1HB   TYR  33           HB2      TYR  33   1.381   5.858   4.263
  266   2HB   TYR  33           HB1      TYR  33   2.046   4.731   3.086
  267    HD1  TYR  33           HD1      TYR  33   4.143   3.455   3.657
  268    HD2  TYR  33           HD2      TYR  33   2.083   5.785   6.558
  269    HE1  TYR  33           HE1      TYR  33   5.334   2.279   5.445
  270    HE2  TYR  33           HE2      TYR  33   3.274   4.608   8.349
  271    HH   TYR  33           HH       TYR  33   4.854   1.764   7.948
  272    H    ALA  34           HN       ALA  34   3.559   4.821   1.499
  273    HA   ALA  34           HA       ALA  34   6.053   3.720   2.078
  274   1HB   ALA  34           HB2      ALA  34   4.786   4.329  -0.600
  275   2HB   ALA  34           HB1      ALA  34   6.270   3.394  -0.438
  276   3HB   ALA  34           HB3      ALA  34   4.773   2.800   0.273
  277    H    ASN  35           HN       ASN  35   5.336   6.784   0.525
  278    HA   ASN  35           HA       ASN  35   7.947   7.423  -0.403
  279   1HB   ASN  35           HB2      ASN  35   5.785   8.681  -0.876
  280   2HB   ASN  35           HB1      ASN  35   5.969   9.420   0.713
  281   1HD2  ASN  35          HD22      ASN  35   7.651  11.554  -1.904
  282   2HD2  ASN  35          HD21      ASN  35   6.082  10.924  -1.753
  283    H    ASP  36           HN       ASP  36   6.457   7.736   2.761
  284    HA   ASP  36           HA       ASP  36   8.653   9.246   3.918
  285   1HB   ASP  36           HB2      ASP  36   6.458   7.625   5.241
  286   2HB   ASP  36           HB1      ASP  36   7.535   8.745   6.073
  287    H    ASN  37           HN       ASN  37   9.011   6.493   2.569
  288    HA   ASN  37           HA       ASN  37  10.850   5.443   4.664
  289   1HB   ASN  37           HB2      ASN  37   8.787   3.834   3.143
  290   2HB   ASN  37           HB1      ASN  37  10.132   3.105   4.013
  291   1HD2  ASN  37          HD22      ASN  37   7.248   5.060   6.212
  292   2HD2  ASN  37          HD21      ASN  37   7.579   5.583   4.631
  293    H    GLY  38           HN       GLY  38   9.887   5.601   1.298
  294   1HA   GLY  38           HA2      GLY  38  11.576   5.982  -0.435
  295   2HA   GLY  38           HA1      GLY  38  12.722   5.063   0.535
  296    H    VAL  39           HN       VAL  39   9.549   3.796   0.356
  297    HA   VAL  39           HA       VAL  39  10.562   1.562  -1.313
  298    HB   VAL  39           HB       VAL  39   7.914   1.748   0.140
  299   1HG1  VAL  39          HG11      VAL  39   9.590  -0.562  -0.907
  300   2HG1  VAL  39          HG13      VAL  39   8.112  -0.744   0.033
  301   3HG1  VAL  39          HG12      VAL  39   8.053  -0.012  -1.567
  302   1HG2  VAL  39          HG23      VAL  39  10.667   0.912   1.076
  303   2HG2  VAL  39          HG22      VAL  39   9.537   2.012   1.861
  304   3HG2  VAL  39          HG21      VAL  39   9.209   0.282   1.837
  305    H    ASP  40           HN       ASP  40  10.446   3.293  -3.109
  306    HA   ASP  40           HA       ASP  40   7.693   3.385  -4.277
  307   1HB   ASP  40           HB2      ASP  40  10.136   5.096  -4.792
  308   2HB   ASP  40           HB1      ASP  40   8.637   5.217  -5.712
  309    H    GLY  41           HN       GLY  41   7.295   2.470  -6.229
  310   1HA   GLY  41           HA2      GLY  41   9.109   1.922  -8.299
  311   2HA   GLY  41           HA1      GLY  41   9.142   0.506  -7.251
  312    H    GLU  42           HN       GLU  42   7.645  -1.015  -7.610
  313    HA   GLU  42           HA       GLU  42   5.445  -0.388  -9.507
  314   1HB   GLU  42           HB2      GLU  42   5.976  -3.122  -8.424
  315   2HB   GLU  42           HB1      GLU  42   5.378  -2.658 -10.011
  316   1HG   GLU  42           HG2      GLU  42   8.211  -2.392  -8.961
  317   2HG   GLU  42           HG1      GLU  42   7.661  -3.365 -10.323
  318    CH2  TRP  43           CH2      TRP  43   2.101   2.634  -2.290
  319    H    TRP  43           HN       TRP  43   3.282  -0.777  -9.000
  320    HA   TRP  43           HA       TRP  43   2.711  -1.242  -6.094
  321   1HB   TRP  43           HB2      TRP  43   1.626   0.801  -8.009
  322   2HB   TRP  43           HB1      TRP  43   0.679   0.300  -6.619
  323    HD1  TRP  43           HD1      TRP  43   4.219   1.612  -7.444
  324    HE1  TRP  43           HE1      TRP  43   4.964   2.973  -5.433
  325    HE3  TRP  43           HE3      TRP  43   0.344   0.755  -4.446
  326    HZ2  TRP  43           HZ2      TRP  43   3.983   3.552  -2.693
  327    HZ3  TRP  43           HZ3      TRP  43   0.233   1.614  -2.162
  328    HH2  TRP  43           HH2      TRP  43   2.051   3.005  -1.278
  329    H    THR  44           HN       THR  44   1.197  -2.708  -5.622
  330    HA   THR  44           HA       THR  44  -0.443  -3.812  -7.875
  331    HB   THR  44           HB       THR  44  -0.262  -6.034  -6.532
  332    HG1  THR  44           HG1      THR  44   2.092  -4.898  -5.563
  333   1HG2  THR  44          HG21      THR  44   1.638  -4.776  -8.335
  334   2HG2  THR  44          HG23      THR  44   2.500  -5.733  -7.135
  335   3HG2  THR  44          HG22      THR  44   1.281  -6.491  -8.155
  336    OH   TYR  45           OH       TYR  45  -8.869  -1.173  -3.028
  337    H    TYR  45           HN       TYR  45  -2.468  -4.741  -7.270
  338    HA   TYR  45           HA       TYR  45  -3.568  -3.799  -4.648
  339   1HB   TYR  45           HB2      TYR  45  -4.120  -2.346  -6.731
  340   2HB   TYR  45           HB1      TYR  45  -5.138  -3.695  -7.236
  341    HD1  TYR  45           HD1      TYR  45  -6.617  -4.593  -4.921
  342    HD2  TYR  45           HD2      TYR  45  -5.363  -0.634  -5.818
  343    HE1  TYR  45           HE1      TYR  45  -8.359  -3.710  -3.461
  344    HE2  TYR  45           HE2      TYR  45  -7.146   0.251  -4.401
  345    HH   TYR  45           HH       TYR  45  -9.436  -1.903  -2.773
  346    H    ASP  46           HN       ASP  46  -4.561  -5.406  -3.587
  347    HA   ASP  46           HA       ASP  46  -5.281  -7.879  -5.112
  348   1HB   ASP  46           HB2      ASP  46  -3.562  -7.868  -3.146
  349   2HB   ASP  46           HB1      ASP  46  -4.990  -7.764  -2.121
  350    H    ASP  47           HN       ASP  47  -7.339  -6.985  -5.735
  351    HA   ASP  47           HA       ASP  47  -9.260  -6.093  -3.761
  352   1HB   ASP  47           HB2      ASP  47  -9.613  -5.323  -5.980
  353   2HB   ASP  47           HB1      ASP  47  -9.487  -6.948  -6.647
  354    H    ALA  48           HN       ALA  48  -8.078  -9.134  -4.570
  355    HA   ALA  48           HA       ALA  48 -10.503 -10.674  -4.150
  356   1HB   ALA  48           HB3      ALA  48  -7.896 -11.211  -5.030
  357   2HB   ALA  48           HB2      ALA  48  -8.067 -12.126  -3.536
  358   3HB   ALA  48           HB1      ALA  48  -9.206 -12.375  -4.856
  359    H    THR  49           HN       THR  49  -8.130  -9.231  -2.094
  360    HA   THR  49           HA       THR  49  -9.598 -10.291   0.266
  361    HB   THR  49           HB       THR  49  -7.126 -10.488   1.300
  362    HG1  THR  49           HG1      THR  49  -5.741 -11.103  -0.400
  363   1HG2  THR  49          HG23      THR  49  -8.461 -12.474  -0.576
  364   2HG2  THR  49          HG22      THR  49  -7.012 -12.866   0.346
  365   3HG2  THR  49          HG21      THR  49  -8.513 -12.482   1.185
  366    H    LYS  50           HN       LYS  50  -9.072  -7.661  -1.257
  367    HA   LYS  50           HA       LYS  50  -8.676  -5.406  -0.699
  368   1HB   LYS  50           HB2      LYS  50  -9.495  -6.282   2.076
  369   2HB   LYS  50           HB1      LYS  50  -9.735  -4.706   1.330
  370   1HG   LYS  50           HG2      LYS  50 -11.091  -6.014  -0.473
  371   2HG   LYS  50           HG1      LYS  50 -11.137  -7.308   0.718
  372   1HD   LYS  50           HD2      LYS  50 -12.032  -5.613   2.382
  373   2HD   LYS  50           HD1      LYS  50 -12.182  -4.480   1.044
  374   1HE   LYS  50           HE2      LYS  50 -13.411  -6.649  -0.037
  375   2HE   LYS  50           HE1      LYS  50 -13.790  -6.902   1.661
  376   1HZ   LYS  50           HZ3      LYS  50 -14.150  -4.187   0.800
  377   2HZ   LYS  50           HZ2      LYS  50 -15.149  -5.289  -0.020
  378   3HZ   LYS  50           HZ1      LYS  50 -15.195  -5.199   1.676
  379    H    THR  51           HN       THR  51  -6.352  -6.588  -0.858
  380    HA   THR  51           HA       THR  51  -4.817  -5.639   1.540
  381    HB   THR  51           HB       THR  51  -3.801  -7.944  -0.113
  382    HG1  THR  51           HG1      THR  51  -6.178  -7.754   1.193
  383   1HG2  THR  51          HG21      THR  51  -2.757  -6.832   2.081
  384   2HG2  THR  51          HG23      THR  51  -3.979  -7.812   2.884
  385   3HG2  THR  51          HG22      THR  51  -2.750  -8.579   1.887
  386    H    PHE  52           HN       PHE  52  -3.648  -3.867   0.833
  387    HA   PHE  52           HA       PHE  52  -2.970  -3.587  -1.991
  388   1HB   PHE  52           HB2      PHE  52  -3.018  -1.893   0.338
  389   2HB   PHE  52           HB1      PHE  52  -1.488  -1.730  -0.512
  390    HD1  PHE  52           HD1      PHE  52  -1.488  -1.117  -2.968
  391    HD2  PHE  52           HD2      PHE  52  -5.041  -1.152  -0.669
  392    HE1  PHE  52           HE1      PHE  52  -2.638   0.203  -4.701
  393    HE2  PHE  52           HE2      PHE  52  -6.142   0.277  -2.305
  394    HZ   PHE  52           HZ       PHE  52  -4.928   1.000  -4.303
  395    H    THR  53           HN       THR  53  -0.691  -3.287  -2.694
  396    HA   THR  53           HA       THR  53   1.407  -4.273  -0.917
  397    HB   THR  53           HB       THR  53   0.497  -5.963  -3.274
  398    HG1  THR  53           HG1      THR  53  -0.632  -6.608  -1.567
  399   1HG2  THR  53          HG22      THR  53   3.031  -5.844  -1.687
  400   2HG2  THR  53          HG21      THR  53   2.332  -7.441  -1.934
  401   3HG2  THR  53          HG23      THR  53   2.777  -6.451  -3.321
  402    H    VAL  54           HN       VAL  54   3.376  -3.566  -1.543
  403    HA   VAL  54           HA       VAL  54   3.694  -2.565  -4.338
  404    HB   VAL  54           HB       VAL  54   3.140  -0.681  -2.706
  405   1HG1  VAL  54          HG11      VAL  54   4.549  -1.829  -0.889
  406   2HG1  VAL  54          HG13      VAL  54   5.950  -1.151  -1.708
  407   3HG1  VAL  54          HG12      VAL  54   4.716  -0.088  -1.039
  408   1HG2  VAL  54          HG23      VAL  54   5.734  -0.805  -4.250
  409   2HG2  VAL  54          HG22      VAL  54   4.234  -0.012  -4.695
  410   3HG2  VAL  54          HG21      VAL  54   5.237   0.667  -3.425
  411    H    THR  55           HN       THR  55   5.819  -2.711  -5.102
  412    HA   THR  55           HA       THR  55   7.802  -3.999  -3.274
  413    HB   THR  55           HB       THR  55   7.453  -4.973  -6.121
  414    HG1  THR  55           HG1      THR  55   5.477  -5.327  -5.274
  415   1HG2  THR  55          HG21      THR  55   9.187  -5.665  -3.978
  416   2HG2  THR  55          HG23      THR  55   7.948  -6.917  -4.014
  417   3HG2  THR  55          HG22      THR  55   8.916  -6.595  -5.444
  418    H    GLU  56           HN       GLU  56   9.633  -2.845  -3.320
  419    HA   GLU  56           HA       GLU  56  10.123  -0.730  -5.183
  420   1HB   GLU  56           HB2      GLU  56  11.197  -1.428  -2.792
  421   2HB   GLU  56           HB1      GLU  56  12.481  -1.953  -3.874
  422   1HG   GLU  56           HG2      GLU  56  12.187   0.379  -5.000
  423   2HG   GLU  56           HG1      GLU  56  11.330   0.818  -3.524
   
  Start of MODEL          17
 Raw file had 423 H/Q atoms
  Entry Start of MODEL   17
    1   1H    MET   1           HT1      MET   1 -13.730  -1.055   5.691
    2   2H    MET   1           HT3      MET   1 -15.200  -1.246   4.862
    3   3H    MET   1           HT2      MET   1 -14.101  -2.537   4.950
    4    HA   MET   1           HA       MET   1 -13.557  -1.837   2.894
    5   1HB   MET   1           HB2      MET   1 -14.262   0.982   3.757
    6   2HB   MET   1           HB1      MET   1 -13.804   0.492   2.130
    7   1HG   MET   1           HG2      MET   1 -16.249  -0.330   3.695
    8   2HG   MET   1           HG1      MET   1 -16.202   0.597   2.220
    9   1HE   MET   1           HE2      MET   1 -16.797  -2.615   3.879
   10   2HE   MET   1           HE1      MET   1 -18.094  -1.827   2.981
   11   3HE   MET   1           HE3      MET   1 -17.542  -3.433   2.506
   12    H    THR   2           HN       THR   2 -11.812  -2.344   4.905
   13    HA   THR   2           HA       THR   2  -9.705  -0.233   4.597
   14    HB   THR   2           HB       THR   2  -9.618  -2.292   6.802
   15    HG1  THR   2           HG1      THR   2 -11.420  -1.444   7.512
   16   1HG2  THR   2          HG23      THR   2  -7.833  -0.420   6.284
   17   2HG2  THR   2          HG22      THR   2  -9.052   0.672   6.932
   18   3HG2  THR   2          HG21      THR   2  -8.393  -0.608   7.942
   19    OH   TYR   3           OH       TYR   3 -11.757  -0.195  -0.775
   20    H    TYR   3           HN       TYR   3  -8.005  -0.799   3.396
   21    HA   TYR   3           HA       TYR   3  -7.605  -3.689   2.784
   22   1HB   TYR   3           HB2      TYR   3  -6.166  -1.429   1.423
   23   2HB   TYR   3           HB1      TYR   3  -6.546  -3.025   0.795
   24    HD1  TYR   3           HD1      TYR   3  -8.109   0.181   1.877
   25    HD2  TYR   3           HD2      TYR   3  -8.591  -3.401  -0.358
   26    HE1  TYR   3           HE1      TYR   3 -10.201   1.048   0.939
   27    HE2  TYR   3           HE2      TYR   3 -10.679  -2.533  -1.304
   28    HH   TYR   3           HH       TYR   3 -11.952   0.641  -0.343
   29    H    LYS   4           HN       LYS   4  -5.497  -4.601   2.884
   30    HA   LYS   4           HA       LYS   4  -3.799  -3.323   4.979
   31   1HB   LYS   4           HB2      LYS   4  -4.842  -5.789   4.994
   32   2HB   LYS   4           HB1      LYS   4  -3.387  -6.142   4.081
   33   1HG   LYS   4           HG2      LYS   4  -2.275  -4.677   6.063
   34   2HG   LYS   4           HG1      LYS   4  -3.673  -5.303   6.928
   35   1HD   LYS   4           HD2      LYS   4  -1.928  -6.918   7.245
   36   2HD   LYS   4           HD1      LYS   4  -3.033  -7.616   6.069
   37   1HE   LYS   4           HE2      LYS   4  -1.119  -6.052   4.623
   38   2HE   LYS   4           HE1      LYS   4  -0.233  -7.057   5.760
   39   1HZ   LYS   4           HZ3      LYS   4  -2.314  -8.529   4.523
   40   2HZ   LYS   4           HZ2      LYS   4  -1.304  -7.826   3.352
   41   3HZ   LYS   4           HZ1      LYS   4  -0.644  -8.837   4.546
   42    H    LEU   5           HN       LEU   5  -1.900  -2.462   4.362
   43    HA   LEU   5           HA       LEU   5  -0.921  -3.029   1.636
   44   1HB   LEU   5           HB2      LEU   5  -0.921  -0.698   2.242
   45   2HB   LEU   5           HB1      LEU   5  -0.128  -1.026   3.772
   46    HG   LEU   5           HG       LEU   5   1.931  -1.775   2.433
   47   1HD1  LEU   5          HD11      LEU   5   0.375  -0.482   0.173
   48   2HD1  LEU   5          HD13      LEU   5   2.044  -1.025   0.088
   49   3HD1  LEU   5          HD12      LEU   5   0.751  -2.198   0.282
   50   1HD2  LEU   5          HD23      LEU   5   1.583   0.526   3.450
   51   2HD2  LEU   5          HD22      LEU   5   2.708   0.458   2.099
   52   3HD2  LEU   5          HD21      LEU   5   1.074   1.057   1.853
   53    H    ILE   6           HN       ILE   6   1.183  -3.790   1.211
   54    HA   ILE   6           HA       ILE   6   2.655  -4.988   3.478
   55    HB   ILE   6           HB       ILE   6   2.288  -6.320   0.787
   56   1HG1  ILE   6          HG12      ILE   6   0.858  -6.692   3.434
   57   2HG1  ILE   6          HG11      ILE   6   0.139  -6.363   1.862
   58   1HG2  ILE   6          HG21      ILE   6   4.366  -6.785   2.254
   59   2HG2  ILE   6          HG23      ILE   6   3.249  -7.533   3.388
   60   3HG2  ILE   6          HG22      ILE   6   3.421  -8.181   1.761
   61   1HD1  ILE   6           HD2      ILE   6   1.209  -8.593   1.106
   62   2HD1  ILE   6           HD1      ILE   6   1.445  -8.918   2.821
   63   3HD1  ILE   6           HD3      ILE   6  -0.178  -8.699   2.183
   64    H    LEU   7           HN       LEU   7   4.396  -3.685   3.549
   65    HA   LEU   7           HA       LEU   7   5.573  -2.573   1.123
   66   1HB   LEU   7           HB2      LEU   7   6.386  -2.487   4.027
   67   2HB   LEU   7           HB1      LEU   7   7.301  -1.693   2.752
   68    HG   LEU   7           HG       LEU   7   4.448  -1.103   2.555
   69   1HD1  LEU   7          HD11      LEU   7   5.917  -0.306   5.092
   70   2HD1  LEU   7          HD13      LEU   7   4.346   0.312   4.592
   71   3HD1  LEU   7          HD12      LEU   7   4.531  -1.389   5.007
   72   1HD2  LEU   7          HD23      LEU   7   6.276   0.144   1.428
   73   2HD2  LEU   7          HD22      LEU   7   5.334   1.204   2.472
   74   3HD2  LEU   7          HD21      LEU   7   6.910   0.623   2.999
   75    H    ASN   8           HN       ASN   8   6.919  -3.628  -0.159
   76    HA   ASN   8           HA       ASN   8   8.523  -5.865   0.995
   77   1HB   ASN   8           HB2      ASN   8   7.044  -5.487  -1.459
   78   2HB   ASN   8           HB1      ASN   8   8.714  -5.865  -1.828
   79   1HD2  ASN   8          HD22      ASN   8   6.405  -8.861  -0.973
   80   2HD2  ASN   8          HD21      ASN   8   5.973  -7.411  -1.729
   81    H    GLY   9           HN       GLY   9   9.315  -3.207   1.470
   82   1HA   GLY   9           HA2      GLY   9  11.133  -2.070  -0.339
   83   2HA   GLY   9           HA1      GLY   9  11.295  -1.935   1.401
   84    H    LYS  10           HN       LYS  10  13.268  -2.366  -0.818
   85    HA   LYS  10           HA       LYS  10  14.328  -4.970  -0.853
   86   1HB   LYS  10           HB2      LYS  10  15.204  -3.161  -2.263
   87   2HB   LYS  10           HB1      LYS  10  15.841  -2.345  -0.839
   88   1HG   LYS  10           HG2      LYS  10  17.658  -3.700  -0.760
   89   2HG   LYS  10           HG1      LYS  10  16.679  -5.146  -0.977
   90   1HD   LYS  10           HD2      LYS  10  16.556  -4.701  -3.408
   91   2HD   LYS  10           HD1      LYS  10  17.528  -3.250  -3.193
   92   1HE   LYS  10           HE2      LYS  10  19.436  -4.458  -3.193
   93   2HE   LYS  10           HE1      LYS  10  18.821  -5.511  -1.925
   94   1HZ   LYS  10           HZ3      LYS  10  18.115  -5.789  -4.790
   95   2HZ   LYS  10           HZ2      LYS  10  19.359  -6.659  -4.028
   96   3HZ   LYS  10           HZ1      LYS  10  17.749  -6.870  -3.532
   97    H    THR  11           HN       THR  11  15.040  -2.338   1.415
   98    HA   THR  11           HA       THR  11  16.139  -4.375   3.309
   99    HB   THR  11           HB       THR  11  17.299  -2.123   4.207
  100    HG1  THR  11           HG1      THR  11  16.598  -0.658   2.807
  101   1HG2  THR  11          HG22      THR  11  18.128  -3.684   1.733
  102   2HG2  THR  11          HG21      THR  11  19.173  -2.519   2.539
  103   3HG2  THR  11          HG23      THR  11  18.669  -3.979   3.383
  104    H    LEU  12           HN       LEU  12  13.417  -2.782   2.785
  105    HA   LEU  12           HA       LEU  12  12.899  -2.481   5.706
  106   1HB   LEU  12           HB2      LEU  12  13.482  -0.233   4.659
  107   2HB   LEU  12           HB1      LEU  12  11.994  -0.384   3.731
  108    HG   LEU  12           HG       LEU  12  10.969  -0.914   6.146
  109   1HD1  LEU  12          HD11      LEU  12  13.168  -0.787   7.287
  110   2HD1  LEU  12          HD13      LEU  12  13.361   0.869   6.724
  111   3HD1  LEU  12          HD12      LEU  12  12.082   0.470   7.866
  112   1HD2  LEU  12          HD21      LEU  12  11.629   1.759   4.897
  113   2HD2  LEU  12          HD23      LEU  12  10.096   0.893   4.873
  114   3HD2  LEU  12          HD22      LEU  12  10.657   1.648   6.362
  115    H    LYS  13           HN       LYS  13  11.542  -4.221   5.772
  116    HA   LYS  13           HA       LYS  13   9.200  -4.208   3.925
  117   1HB   LYS  13           HB2      LYS  13  10.214  -6.419   5.723
  118   2HB   LYS  13           HB1      LYS  13   8.892  -6.552   4.572
  119   1HG   LYS  13           HG2      LYS  13  10.336  -6.908   2.873
  120   2HG   LYS  13           HG1      LYS  13  11.234  -5.448   3.275
  121   1HD   LYS  13           HD2      LYS  13  12.472  -6.681   5.021
  122   2HD   LYS  13           HD1      LYS  13  11.564  -8.140   4.643
  123   1HE   LYS  13           HE2      LYS  13  12.416  -7.769   2.207
  124   2HE   LYS  13           HE1      LYS  13  13.604  -6.703   2.947
  125   1HZ   LYS  13           HZ3      LYS  13  13.672  -8.937   4.496
  126   2HZ   LYS  13           HZ2      LYS  13  13.485  -9.556   2.925
  127   3HZ   LYS  13           HZ1      LYS  13  14.788  -8.527   3.283
  128    H    GLY  14           HN       GLY  14   7.157  -3.969   4.696
  129   1HA   GLY  14           HA2      GLY  14   6.575  -4.247   7.553
  130   2HA   GLY  14           HA1      GLY  14   6.526  -2.583   6.977
  131    H    GLU  15           HN       GLU  15   4.241  -2.771   7.661
  132    HA   GLU  15           HA       GLU  15   2.509  -3.132   5.415
  133   1HB   GLU  15           HB2      GLU  15   1.171  -5.057   6.355
  134   2HB   GLU  15           HB1      GLU  15   2.765  -5.506   5.765
  135   1HG   GLU  15           HG2      GLU  15   2.994  -4.694   8.519
  136   2HG   GLU  15           HG1      GLU  15   1.713  -5.894   8.383
  137    H    THR  16           HN       THR  16   0.676  -1.994   5.761
  138    HA   THR  16           HA       THR  16  -0.303  -1.602   8.523
  139    HB   THR  16           HB       THR  16   1.348   0.265   8.191
  140    HG1  THR  16           HG1      THR  16  -1.368   1.087   8.014
  141   1HG2  THR  16          HG23      THR  16   0.300   0.357   5.587
  142   2HG2  THR  16          HG22      THR  16  -0.421   1.746   6.388
  143   3HG2  THR  16          HG21      THR  16   1.330   1.580   6.318
  144    H    THR  17           HN       THR  17  -2.462  -0.811   8.607
  145    HA   THR  17           HA       THR  17  -3.929  -1.234   6.039
  146    HB   THR  17           HB       THR  17  -5.763  -2.048   7.327
  147    HG1  THR  17           HG1      THR  17  -4.440  -0.530   9.332
  148   1HG2  THR  17          HG22      THR  17  -3.300  -3.190   7.841
  149   2HG2  THR  17          HG21      THR  17  -3.823  -2.735   9.459
  150   3HG2  THR  17          HG23      THR  17  -4.819  -3.808   8.481
  151    H    THR  18           HN       THR  18  -5.223   0.307   5.211
  152    HA   THR  18           HA       THR  18  -5.647   2.802   6.810
  153    HB   THR  18           HB       THR  18  -3.853   2.907   4.875
  154    HG1  THR  18           HG1      THR  18  -6.047   4.692   4.767
  155   1HG2  THR  18          HG22      THR  18  -5.731   1.872   3.275
  156   2HG2  THR  18          HG21      THR  18  -6.305   3.536   3.248
  157   3HG2  THR  18          HG23      THR  18  -4.680   3.156   2.687
  158    H    GLU  19           HN       GLU  19  -7.614   3.856   6.469
  159    HA   GLU  19           HA       GLU  19  -9.697   2.143   5.230
  160   1HB   GLU  19           HB2      GLU  19  -9.964   3.070   7.563
  161   2HB   GLU  19           HB1      GLU  19 -10.069   4.673   6.845
  162   1HG   GLU  19           HG2      GLU  19 -12.035   4.027   5.560
  163   2HG   GLU  19           HG1      GLU  19 -11.879   2.354   6.090
  164    H    ALA  20           HN       ALA  20 -10.448   2.571   3.265
  165    HA   ALA  20           HA       ALA  20 -10.441   5.389   2.293
  166   1HB   ALA  20           HB1      ALA  20  -9.007   3.056   1.127
  167   2HB   ALA  20           HB3      ALA  20  -9.798   4.152   0.001
  168   3HB   ALA  20           HB2      ALA  20  -8.572   4.761   1.109
  169    H    VAL  21           HN       VAL  21 -12.207   5.922   1.097
  170    HA   VAL  21           HA       VAL  21 -14.468   4.123   1.127
  171    HB   VAL  21           HB       VAL  21 -14.997   6.424   1.276
  172   1HG1  VAL  21          HG13      VAL  21 -13.148   6.701  -1.106
  173   2HG1  VAL  21          HG12      VAL  21 -14.248   7.987  -0.622
  174   3HG1  VAL  21          HG11      VAL  21 -12.986   7.447   0.480
  175   1HG2  VAL  21          HG23      VAL  21 -16.298   4.951  -0.458
  176   2HG2  VAL  21          HG22      VAL  21 -16.557   6.692  -0.469
  177   3HG2  VAL  21          HG21      VAL  21 -15.493   5.953  -1.661
  178    H    ASP  22           HN       ASP  22 -11.977   4.832  -1.183
  179    HA   ASP  22           HA       ASP  22 -13.146   2.779  -2.983
  180   1HB   ASP  22           HB2      ASP  22 -12.493   4.336  -4.944
  181   2HB   ASP  22           HB1      ASP  22 -13.974   4.707  -4.066
  182    H    ALA  23           HN       ALA  23 -11.507   2.396  -4.865
  183    HA   ALA  23           HA       ALA  23  -8.986   1.672  -3.601
  184   1HB   ALA  23           HB3      ALA  23 -10.345   1.155  -6.171
  185   2HB   ALA  23           HB2      ALA  23  -8.586   1.185  -6.255
  186   3HB   ALA  23           HB1      ALA  23  -9.398   0.067  -5.164
  187    H    ALA  24           HN       ALA  24 -10.074   4.150  -5.830
  188    HA   ALA  24           HA       ALA  24  -7.571   5.049  -6.797
  189   1HB   ALA  24           HB2      ALA  24 -10.175   6.468  -6.255
  190   2HB   ALA  24           HB1      ALA  24  -8.781   7.328  -6.901
  191   3HB   ALA  24           HB3      ALA  24  -9.489   5.994  -7.806
  192    H    THR  25           HN       THR  25  -9.419   6.415  -4.075
  193    HA   THR  25           HA       THR  25  -7.292   8.074  -3.149
  194    HB   THR  25           HB       THR  25  -9.671   8.386  -2.415
  195    HG1  THR  25           HG1      THR  25  -8.857   8.239  -0.030
  196   1HG2  THR  25          HG22      THR  25  -9.515   5.646  -1.781
  197   2HG2  THR  25          HG21      THR  25  -9.458   6.467  -0.226
  198   3HG2  THR  25          HG23      THR  25 -10.813   6.739  -1.316
  199    H    ALA  26           HN       ALA  26  -7.980   4.690  -2.697
  200    HA   ALA  26           HA       ALA  26  -6.275   4.298  -0.400
  201   1HB   ALA  26           HB3      ALA  26  -8.044   2.688  -1.194
  202   2HB   ALA  26           HB2      ALA  26  -6.973   2.263  -2.526
  203   3HB   ALA  26           HB1      ALA  26  -6.485   1.938  -0.865
  204    H    GLU  27           HN       GLU  27  -5.739   4.357  -3.859
  205    HA   GLU  27           HA       GLU  27  -3.097   3.231  -3.831
  206   1HB   GLU  27           HB2      GLU  27  -4.590   4.988  -5.779
  207   2HB   GLU  27           HB1      GLU  27  -2.933   4.484  -6.072
  208   1HG   GLU  27           HG2      GLU  27  -3.688   2.087  -5.768
  209   2HG   GLU  27           HG1      GLU  27  -5.343   2.682  -5.700
  210    H    LYS  28           HN       LYS  28  -4.228   6.611  -3.973
  211    HA   LYS  28           HA       LYS  28  -1.516   7.642  -3.732
  212   1HB   LYS  28           HB2      LYS  28  -2.591   9.847  -3.592
  213   2HB   LYS  28           HB1      LYS  28  -3.262   8.908  -4.919
  214   1HG   LYS  28           HG2      LYS  28  -5.312   9.190  -4.021
  215   2HG   LYS  28           HG1      LYS  28  -4.796   8.244  -2.631
  216   1HD   LYS  28           HD2      LYS  28  -3.923  10.274  -1.546
  217   2HD   LYS  28           HD1      LYS  28  -4.367  11.234  -2.954
  218   1HE   LYS  28           HE2      LYS  28  -6.450   9.572  -1.557
  219   2HE   LYS  28           HE1      LYS  28  -6.003  11.141  -0.904
  220   1HZ   LYS  28           HZ1      LYS  28  -6.584  10.988  -3.758
  221   2HZ   LYS  28           HZ3      LYS  28  -7.895  10.859  -2.687
  222   3HZ   LYS  28           HZ2      LYS  28  -6.900  12.234  -2.649
  223    H    VAL  29           HN       VAL  29  -4.022   6.758  -1.497
  224    HA   VAL  29           HA       VAL  29  -3.096   8.326   0.736
  225    HB   VAL  29           HB       VAL  29  -4.782   5.854   0.467
  226   1HG1  VAL  29          HG11      VAL  29  -3.534   7.019   2.949
  227   2HG1  VAL  29          HG13      VAL  29  -5.118   6.255   3.035
  228   3HG1  VAL  29          HG12      VAL  29  -3.720   5.327   2.500
  229   1HG2  VAL  29          HG22      VAL  29  -5.387   8.478   0.223
  230   2HG2  VAL  29          HG21      VAL  29  -6.530   7.302   0.865
  231   3HG2  VAL  29          HG23      VAL  29  -5.583   8.301   1.963
  232    H    PHE  30           HN       PHE  30  -2.752   4.817   0.176
  233    HA   PHE  30           HA       PHE  30  -0.804   4.359   2.165
  234   1HB   PHE  30           HB2      PHE  30  -1.499   3.005  -0.418
  235   2HB   PHE  30           HB1      PHE  30  -0.029   2.520   0.413
  236    HD1  PHE  30           HD1      PHE  30  -0.447   2.291   3.132
  237    HD2  PHE  30           HD2      PHE  30  -3.386   1.726   0.095
  238    HE1  PHE  30           HE1      PHE  30  -1.788   0.923   4.672
  239    HE2  PHE  30           HE2      PHE  30  -4.700   0.349   1.638
  240    HZ   PHE  30           HZ       PHE  30  -3.899  -0.080   3.916
  241    H    LYS  31           HN       LYS  31  -0.465   5.536  -1.125
  242    HA   LYS  31           HA       LYS  31   2.371   5.405  -1.322
  243   1HB   LYS  31           HB2      LYS  31   0.880   5.885  -3.239
  244   2HB   LYS  31           HB1      LYS  31   0.493   7.451  -2.533
  245   1HG   LYS  31           HG2      LYS  31   2.781   8.196  -2.741
  246   2HG   LYS  31           HG1      LYS  31   3.323   6.582  -3.189
  247   1HD   LYS  31           HD2      LYS  31   2.286   6.692  -5.311
  248   2HD   LYS  31           HD1      LYS  31   1.226   8.009  -4.824
  249   1HE   LYS  31           HE2      LYS  31   3.051   8.833  -6.277
  250   2HE   LYS  31           HE1      LYS  31   3.168   9.525  -4.665
  251   1HZ   LYS  31           HZ1      LYS  31   4.599   7.033  -5.170
  252   2HZ   LYS  31           HZ3      LYS  31   5.223   8.450  -5.868
  253   3HZ   LYS  31           HZ2      LYS  31   5.022   8.350  -4.184
  254    H    GLN  32           HN       GLN  32   0.226   7.839   0.048
  255    HA   GLN  32           HA       GLN  32   2.203   9.828   0.568
  256   1HB   GLN  32           HB2      GLN  32  -0.259  10.193   0.763
  257   2HB   GLN  32           HB1      GLN  32  -0.264   9.194   2.212
  258   1HG   GLN  32           HG2      GLN  32   1.311  10.751   3.306
  259   2HG   GLN  32           HG1      GLN  32   1.356  11.740   1.849
  260   1HE2  GLN  32          HE22      GLN  32  -1.159  13.427   3.884
  261   2HE2  GLN  32          HE21      GLN  32   0.529  13.286   3.770
  262    OH   TYR  33           OH       TYR  33   4.623   3.155   8.724
  263    H    TYR  33           HN       TYR  33   1.376   6.853   2.152
  264    HA   TYR  33           HA       TYR  33   2.889   7.429   4.581
  265   1HB   TYR  33           HB2      TYR  33   0.973   5.857   4.595
  266   2HB   TYR  33           HB1      TYR  33   1.857   4.791   3.507
  267    HD1  TYR  33           HD1      TYR  33   3.923   3.654   4.281
  268    HD2  TYR  33           HD2      TYR  33   1.571   5.988   6.946
  269    HE1  TYR  33           HE1      TYR  33   5.073   2.634   6.186
  270    HE2  TYR  33           HE2      TYR  33   2.722   4.966   8.855
  271    HH   TYR  33           HH       TYR  33   4.531   2.202   8.651
  272    H    ALA  34           HN       ALA  34   3.317   4.947   2.075
  273    HA   ALA  34           HA       ALA  34   5.889   4.099   2.669
  274   1HB   ALA  34           HB1      ALA  34   4.149   3.845   0.495
  275   2HB   ALA  34           HB3      ALA  34   5.627   4.506  -0.196
  276   3HB   ALA  34           HB2      ALA  34   5.678   2.999   0.713
  277    H    ASN  35           HN       ASN  35   4.931   7.098   1.137
  278    HA   ASN  35           HA       ASN  35   7.485   7.918   0.173
  279   1HB   ASN  35           HB2      ASN  35   5.186   8.990  -0.254
  280   2HB   ASN  35           HB1      ASN  35   5.421   9.817   1.284
  281   1HD2  ASN  35          HD22      ASN  35   8.695  10.949  -0.543
  282   2HD2  ASN  35          HD21      ASN  35   8.497   9.575   0.433
  283    H    ASP  36           HN       ASP  36   5.934   8.326   3.322
  284    HA   ASP  36           HA       ASP  36   7.957   9.995   4.472
  285   1HB   ASP  36           HB2      ASP  36   5.847   8.175   5.594
  286   2HB   ASP  36           HB1      ASP  36   7.038   8.906   6.667
  287    H    ASN  37           HN       ASN  37   8.079   6.804   3.460
  288    HA   ASN  37           HA       ASN  37  10.308   6.146   5.346
  289   1HB   ASN  37           HB2      ASN  37   8.684   4.305   3.570
  290   2HB   ASN  37           HB1      ASN  37   9.922   3.804   4.719
  291   1HD2  ASN  37          HD22      ASN  37   6.189   4.730   6.030
  292   2HD2  ASN  37          HD21      ASN  37   6.606   4.873   4.391
  293    H    GLY  38           HN       GLY  38   9.389   6.412   1.977
  294   1HA   GLY  38           HA2      GLY  38  11.086   7.182   0.356
  295   2HA   GLY  38           HA1      GLY  38  12.285   6.247   1.242
  296    H    VAL  39           HN       VAL  39   9.286   4.688   0.925
  297    HA   VAL  39           HA       VAL  39  10.469   2.838  -1.079
  298    HB   VAL  39           HB       VAL  39   7.964   2.497   0.592
  299   1HG1  VAL  39          HG12      VAL  39   8.101   1.086  -1.449
  300   2HG1  VAL  39          HG11      VAL  39   9.691   0.522  -0.945
  301   3HG1  VAL  39          HG13      VAL  39   8.269   0.113   0.009
  302   1HG2  VAL  39          HG22      VAL  39  10.005   2.746   1.991
  303   2HG2  VAL  39          HG21      VAL  39   9.386   1.099   2.048
  304   3HG2  VAL  39          HG23      VAL  39  10.791   1.477   1.056
  305    H    ASP  40           HN       ASP  40  10.079   3.715  -3.075
  306    HA   ASP  40           HA       ASP  40   7.230   3.874  -3.884
  307   1HB   ASP  40           HB2      ASP  40   9.187   6.084  -4.539
  308   2HB   ASP  40           HB1      ASP  40   7.459   6.054  -4.880
  309    H    GLY  41           HN       GLY  41   6.979   2.766  -5.723
  310   1HA   GLY  41           HA2      GLY  41   8.649   3.042  -8.021
  311   2HA   GLY  41           HA1      GLY  41   9.131   1.586  -7.154
  312    H    GLU  42           HN       GLU  42   7.752  -0.184  -7.113
  313    HA   GLU  42           HA       GLU  42   5.586  -0.099  -9.154
  314   1HB   GLU  42           HB2      GLU  42   6.943  -2.429  -7.796
  315   2HB   GLU  42           HB1      GLU  42   5.731  -2.566  -9.062
  316   1HG   GLU  42           HG2      GLU  42   7.839  -2.733 -10.186
  317   2HG   GLU  42           HG1      GLU  42   7.281  -1.090 -10.490
  318    CH2  TRP  43           CH2      TRP  43   1.988   2.824  -1.817
  319    H    TRP  43           HN       TRP  43   3.504  -0.253  -8.590
  320    HA   TRP  43           HA       TRP  43   2.872  -0.944  -5.741
  321   1HB   TRP  43           HB2      TRP  43   1.797   1.164  -7.584
  322   2HB   TRP  43           HB1      TRP  43   0.819   0.574  -6.252
  323    HD1  TRP  43           HD1      TRP  43   4.375   1.957  -6.880
  324    HE1  TRP  43           HE1      TRP  43   4.987   3.298  -4.810
  325    HE3  TRP  43           HE3      TRP  43   0.385   0.943  -4.090
  326    HZ2  TRP  43           HZ2      TRP  43   3.867   3.790  -2.110
  327    HZ3  TRP  43           HZ3      TRP  43   0.141   1.755  -1.799
  328    HH2  TRP  43           HH2      TRP  43   1.878   3.177  -0.802
  329    H    THR  44           HN       THR  44   1.347  -2.443  -5.378
  330    HA   THR  44           HA       THR  44  -0.173  -3.489  -7.742
  331    HB   THR  44           HB       THR  44  -0.017  -5.743  -6.406
  332    HG1  THR  44           HG1      THR  44   2.085  -5.523  -5.207
  333   1HG2  THR  44          HG21      THR  44   1.334  -5.182  -8.511
  334   2HG2  THR  44          HG23      THR  44   2.586  -4.563  -7.440
  335   3HG2  THR  44          HG22      THR  44   2.145  -6.267  -7.387
  336    OH   TYR  45           OH       TYR  45  -8.887  -1.525  -3.101
  337    H    TYR  45           HN       TYR  45  -2.102  -4.798  -7.063
  338    HA   TYR  45           HA       TYR  45  -3.376  -3.847  -4.546
  339   1HB   TYR  45           HB2      TYR  45  -3.912  -2.359  -6.600
  340   2HB   TYR  45           HB1      TYR  45  -4.838  -3.738  -7.198
  341    HD1  TYR  45           HD1      TYR  45  -6.378  -4.775  -4.963
  342    HD2  TYR  45           HD2      TYR  45  -5.301  -0.737  -5.730
  343    HE1  TYR  45           HE1      TYR  45  -8.219  -4.018  -3.560
  344    HE2  TYR  45           HE2      TYR  45  -7.192   0.016  -4.375
  345    HH   TYR  45           HH       TYR  45  -9.697  -1.826  -3.517
  346    H    ASP  46           HN       ASP  46  -4.344  -5.522  -3.556
  347    HA   ASP  46           HA       ASP  46  -4.951  -7.970  -5.173
  348   1HB   ASP  46           HB2      ASP  46  -3.235  -8.038  -3.242
  349   2HB   ASP  46           HB1      ASP  46  -4.631  -7.908  -2.178
  350    H    ASP  47           HN       ASP  47  -7.013  -6.828  -5.709
  351    HA   ASP  47           HA       ASP  47  -8.958  -6.253  -3.670
  352   1HB   ASP  47           HB2      ASP  47  -9.069  -5.384  -6.011
  353   2HB   ASP  47           HB1      ASP  47  -9.461  -7.012  -6.561
  354    H    ALA  48           HN       ALA  48  -7.667  -9.152  -4.670
  355    HA   ALA  48           HA       ALA  48 -10.033 -10.821  -4.543
  356   1HB   ALA  48           HB3      ALA  48  -7.765 -11.376  -5.630
  357   2HB   ALA  48           HB2      ALA  48  -7.217 -11.757  -4.001
  358   3HB   ALA  48           HB1      ALA  48  -8.548 -12.661  -4.716
  359    H    THR  49           HN       THR  49  -7.965  -9.378  -2.208
  360    HA   THR  49           HA       THR  49  -9.547 -10.670  -0.058
  361    HB   THR  49           HB       THR  49  -7.538 -11.344   1.204
  362    HG1  THR  49           HG1      THR  49  -6.464  -9.794  -0.868
  363   1HG2  THR  49          HG23      THR  49  -8.330 -12.852  -0.763
  364   2HG2  THR  49          HG22      THR  49  -6.997 -12.146  -1.670
  365   3HG2  THR  49          HG21      THR  49  -6.675 -13.079  -0.212
  366    H    LYS  50           HN       LYS  50  -8.786  -7.930  -1.391
  367    HA   LYS  50           HA       LYS  50  -8.621  -5.714  -0.645
  368   1HB   LYS  50           HB2      LYS  50  -9.438  -6.763   2.066
  369   2HB   LYS  50           HB1      LYS  50  -9.754  -5.174   1.377
  370   1HG   LYS  50           HG2      LYS  50 -11.168  -6.245  -0.378
  371   2HG   LYS  50           HG1      LYS  50 -10.896  -7.808   0.383
  372   1HD   LYS  50           HD2      LYS  50 -11.775  -6.644   2.549
  373   2HD   LYS  50           HD1      LYS  50 -12.428  -5.438   1.447
  374   1HE   LYS  50           HE2      LYS  50 -12.969  -8.423   1.304
  375   2HE   LYS  50           HE1      LYS  50 -14.090  -7.216   1.919
  376   1HZ   LYS  50           HZ1      LYS  50 -13.524  -6.188  -0.460
  377   2HZ   LYS  50           HZ3      LYS  50 -13.355  -7.840  -0.813
  378   3HZ   LYS  50           HZ2      LYS  50 -14.818  -7.252  -0.184
  379    H    THR  51           HN       THR  51  -6.253  -6.474  -0.899
  380    HA   THR  51           HA       THR  51  -4.822  -5.624   1.568
  381    HB   THR  51           HB       THR  51  -4.448  -8.274   0.127
  382    HG1  THR  51           HG1      THR  51  -4.590  -7.353   2.818
  383   1HG2  THR  51          HG23      THR  51  -2.517  -6.904   2.041
  384   2HG2  THR  51          HG22      THR  51  -2.405  -8.573   1.504
  385   3HG2  THR  51          HG21      THR  51  -2.166  -7.264   0.355
  386    H    PHE  52           HN       PHE  52  -3.615  -3.906   0.894
  387    HA   PHE  52           HA       PHE  52  -2.899  -3.611  -1.924
  388   1HB   PHE  52           HB2      PHE  52  -2.998  -1.926   0.425
  389   2HB   PHE  52           HB1      PHE  52  -1.486  -1.715  -0.445
  390    HD1  PHE  52           HD1      PHE  52  -1.503  -0.959  -2.830
  391    HD2  PHE  52           HD2      PHE  52  -5.101  -1.339  -0.617
  392    HE1  PHE  52           HE1      PHE  52  -2.713   0.339  -4.540
  393    HE2  PHE  52           HE2      PHE  52  -6.267   0.053  -2.239
  394    HZ   PHE  52           HZ       PHE  52  -5.062   0.936  -4.180
  395    H    THR  53           HN       THR  53  -0.591  -3.177  -2.534
  396    HA   THR  53           HA       THR  53   1.476  -4.206  -0.741
  397    HB   THR  53           HB       THR  53   0.709  -5.779  -3.229
  398    HG1  THR  53           HG1      THR  53   0.415  -7.339  -1.518
  399   1HG2  THR  53          HG23      THR  53   3.114  -5.779  -1.419
  400   2HG2  THR  53          HG22      THR  53   2.487  -7.328  -1.971
  401   3HG2  THR  53          HG21      THR  53   3.036  -6.134  -3.142
  402    H    VAL  54           HN       VAL  54   3.497  -3.509  -1.330
  403    HA   VAL  54           HA       VAL  54   3.841  -2.322  -4.035
  404    HB   VAL  54           HB       VAL  54   3.058  -0.522  -2.446
  405   1HG1  VAL  54          HG12      VAL  54   4.249  -1.591  -0.478
  406   2HG1  VAL  54          HG11      VAL  54   5.748  -0.932  -1.122
  407   3HG1  VAL  54          HG13      VAL  54   4.452   0.149  -0.619
  408   1HG2  VAL  54          HG23      VAL  54   5.870  -0.350  -3.563
  409   2HG2  VAL  54          HG22      VAL  54   4.384   0.182  -4.332
  410   3HG2  VAL  54          HG21      VAL  54   5.002   1.034  -2.926
  411    H    THR  55           HN       THR  55   6.069  -2.134  -4.632
  412    HA   THR  55           HA       THR  55   8.046  -3.308  -2.741
  413    HB   THR  55           HB       THR  55   7.573  -4.419  -5.541
  414    HG1  THR  55           HG1      THR  55   6.043  -5.056  -3.996
  415   1HG2  THR  55          HG22      THR  55   9.753  -4.673  -3.539
  416   2HG2  THR  55          HG21      THR  55   9.089  -6.204  -4.102
  417   3HG2  THR  55          HG23      THR  55   9.770  -5.064  -5.254
  418    H    GLU  56           HN       GLU  56   9.843  -2.117  -2.773
  419    HA   GLU  56           HA       GLU  56  10.223   0.035  -4.646
  420   1HB   GLU  56           HB2      GLU  56  11.289  -0.673  -2.184
  421   2HB   GLU  56           HB1      GLU  56  12.655  -0.840  -3.277
  422   1HG   GLU  56           HG2      GLU  56  10.871   1.612  -3.043
  423   2HG   GLU  56           HG1      GLU  56  12.505   1.471  -2.401
   
  Start of MODEL          18
 Raw file had 423 H/Q atoms
  Entry Start of MODEL   18
    1   1H    MET   1           HT2      MET   1 -14.035   1.296   5.109
    2   2H    MET   1           HT1      MET   1 -15.402   0.724   4.280
    3   3H    MET   1           HT3      MET   1 -14.786  -0.146   5.602
    4    HA   MET   1           HA       MET   1 -13.779  -1.382   4.057
    5   1HB   MET   1           HB2      MET   1 -14.380   0.972   2.314
    6   2HB   MET   1           HB1      MET   1 -13.134  -0.154   1.785
    7   1HG   MET   1           HG2      MET   1 -14.614  -1.951   1.679
    8   2HG   MET   1           HG1      MET   1 -15.744  -1.220   2.787
    9   1HE   MET   1           HE3      MET   1 -17.136  -2.566   1.310
   10   2HE   MET   1           HE2      MET   1 -17.970  -1.920  -0.104
   11   3HE   MET   1           HE1      MET   1 -16.424  -2.746  -0.293
   12    H    THR   2           HN       THR   2 -11.762  -1.819   4.620
   13    HA   THR   2           HA       THR   2  -9.685   0.305   4.325
   14    HB   THR   2           HB       THR   2  -9.928  -1.508   6.763
   15    HG1  THR   2           HG1      THR   2 -11.453   0.352   6.246
   16   1HG2  THR   2          HG21      THR   2  -7.675  -0.229   5.790
   17   2HG2  THR   2          HG23      THR   2  -8.386   1.016   6.813
   18   3HG2  THR   2          HG22      THR   2  -7.966  -0.552   7.496
   19    OH   TYR   3           OH       TYR   3 -11.538   0.291  -1.042
   20    H    TYR   3           HN       TYR   3  -7.961  -0.413   3.234
   21    HA   TYR   3           HA       TYR   3  -7.727  -3.348   2.777
   22   1HB   TYR   3           HB2      TYR   3  -6.106  -1.259   1.347
   23   2HB   TYR   3           HB1      TYR   3  -6.592  -2.851   0.781
   24    HD1  TYR   3           HD1      TYR   3  -7.861   0.546   1.586
   25    HD2  TYR   3           HD2      TYR   3  -8.705  -3.162  -0.311
   26    HE1  TYR   3           HE1      TYR   3  -9.857   1.528   0.557
   27    HE2  TYR   3           HE2      TYR   3 -10.701  -2.183  -1.342
   28    HH   TYR   3           HH       TYR   3 -12.091  -0.427  -1.357
   29    H    LYS   4           HN       LYS   4  -5.592  -4.323   2.834
   30    HA   LYS   4           HA       LYS   4  -3.887  -3.087   4.959
   31   1HB   LYS   4           HB2      LYS   4  -5.035  -5.505   5.032
   32   2HB   LYS   4           HB1      LYS   4  -3.589  -5.944   4.138
   33   1HG   LYS   4           HG2      LYS   4  -2.416  -4.489   6.068
   34   2HG   LYS   4           HG1      LYS   4  -3.849  -4.996   6.955
   35   1HD   LYS   4           HD2      LYS   4  -3.275  -7.372   5.986
   36   2HD   LYS   4           HD1      LYS   4  -1.668  -6.689   5.764
   37   1HE   LYS   4           HE2      LYS   4  -3.222  -6.846   8.366
   38   2HE   LYS   4           HE1      LYS   4  -1.773  -7.755   7.957
   39   1HZ   LYS   4           HZ2      LYS   4  -0.724  -5.463   7.635
   40   2HZ   LYS   4           HZ1      LYS   4  -2.046  -4.878   8.528
   41   3HZ   LYS   4           HZ3      LYS   4  -0.987  -6.011   9.221
   42    H    LEU   5           HN       LEU   5  -1.991  -2.266   4.285
   43    HA   LEU   5           HA       LEU   5  -1.023  -2.928   1.592
   44   1HB   LEU   5           HB2      LEU   5  -0.810  -0.620   1.990
   45   2HB   LEU   5           HB1      LEU   5  -0.359  -0.854   3.668
   46    HG   LEU   5           HG       LEU   5   1.901  -1.657   2.962
   47   1HD1  LEU   5          HD11      LEU   5   0.630  -1.910   0.407
   48   2HD1  LEU   5          HD13      LEU   5   1.888  -0.705   0.248
   49   3HD1  LEU   5          HD12      LEU   5   2.283  -2.315   0.822
   50   1HD2  LEU   5          HD23      LEU   5   1.440   0.755   3.393
   51   2HD2  LEU   5          HD22      LEU   5   2.742   0.502   2.237
   52   3HD2  LEU   5          HD21      LEU   5   1.145   0.972   1.673
   53    H    ILE   6           HN       ILE   6   1.053  -3.742   1.157
   54    HA   ILE   6           HA       ILE   6   2.519  -4.961   3.409
   55    HB   ILE   6           HB       ILE   6   1.581  -6.309   0.882
   56   1HG1  ILE   6          HG12      ILE   6   1.501  -7.131   3.811
   57   2HG1  ILE   6          HG11      ILE   6   0.169  -6.347   2.976
   58   1HG2  ILE   6          HG22      ILE   6   3.894  -6.997   2.710
   59   2HG2  ILE   6          HG21      ILE   6   3.073  -8.236   1.769
   60   3HG2  ILE   6          HG23      ILE   6   3.886  -6.911   0.951
   61   1HD1  ILE   6           HD1      ILE   6   0.647  -8.391   1.247
   62   2HD1  ILE   6           HD3      ILE   6   1.156  -9.146   2.752
   63   3HD1  ILE   6           HD2      ILE   6  -0.480  -8.520   2.592
   64    H    LEU   7           HN       LEU   7   4.288  -3.668   3.342
   65    HA   LEU   7           HA       LEU   7   5.435  -2.770   0.815
   66   1HB   LEU   7           HB2      LEU   7   6.229  -2.460   3.698
   67   2HB   LEU   7           HB1      LEU   7   7.263  -1.893   2.393
   68    HG   LEU   7           HG       LEU   7   4.427  -1.113   2.125
   69   1HD1  LEU   7          HD13      LEU   7   6.140  -0.195   4.449
   70   2HD1  LEU   7          HD12      LEU   7   4.796   0.761   3.834
   71   3HD1  LEU   7          HD11      LEU   7   4.502  -0.840   4.508
   72   1HD2  LEU   7          HD23      LEU   7   6.502  -0.361   0.778
   73   2HD2  LEU   7          HD22      LEU   7   5.404   0.904   1.320
   74   3HD2  LEU   7          HD21      LEU   7   6.908   0.616   2.186
   75    H    ASN   8           HN       ASN   8   6.787  -3.869  -0.402
   76    HA   ASN   8           HA       ASN   8   8.366  -6.078   0.847
   77   1HB   ASN   8           HB2      ASN   8   6.799  -5.838  -1.587
   78   2HB   ASN   8           HB1      ASN   8   8.434  -6.341  -1.955
   79   1HD2  ASN   8          HD22      ASN   8   6.000  -9.117  -0.794
   80   2HD2  ASN   8          HD21      ASN   8   5.635  -7.724  -1.684
   81    H    GLY   9           HN       GLY   9   9.234  -3.423   1.085
   82   1HA   GLY   9           HA2      GLY   9  10.924  -2.361  -0.848
   83   2HA   GLY   9           HA1      GLY   9  11.289  -2.270   0.867
   84    H    LYS  10           HN       LYS  10  13.135  -2.597  -1.353
   85    HA   LYS  10           HA       LYS  10  14.037  -5.251  -1.726
   86   1HB   LYS  10           HB2      LYS  10  15.121  -2.560  -2.083
   87   2HB   LYS  10           HB1      LYS  10  16.364  -3.724  -1.643
   88   1HG   LYS  10           HG2      LYS  10  14.335  -4.284  -3.825
   89   2HG   LYS  10           HG1      LYS  10  15.867  -3.487  -4.154
   90   1HD   LYS  10           HD2      LYS  10  17.046  -5.418  -3.940
   91   2HD   LYS  10           HD1      LYS  10  16.156  -5.899  -2.500
   92   1HE   LYS  10           HE2      LYS  10  14.351  -6.794  -3.802
   93   2HE   LYS  10           HE1      LYS  10  14.952  -6.042  -5.275
   94   1HZ   LYS  10           HZ2      LYS  10  17.043  -7.475  -4.744
   95   2HZ   LYS  10           HZ1      LYS  10  15.934  -8.414  -3.864
   96   3HZ   LYS  10           HZ3      LYS  10  15.702  -8.161  -5.528
   97    H    THR  11           HN       THR  11  15.373  -2.860   0.540
   98    HA   THR  11           HA       THR  11  16.313  -5.124   2.241
   99    HB   THR  11           HB       THR  11  17.639  -3.031   3.285
  100    HG1  THR  11           HG1      THR  11  16.549  -1.551   1.968
  101   1HG2  THR  11          HG21      THR  11  18.218  -4.411   0.641
  102   2HG2  THR  11          HG23      THR  11  19.362  -3.311   1.404
  103   3HG2  THR  11          HG22      THR  11  18.905  -4.806   2.213
  104    H    LEU  12           HN       LEU  12  13.596  -3.627   2.057
  105    HA   LEU  12           HA       LEU  12  13.268  -3.462   5.002
  106   1HB   LEU  12           HB2      LEU  12  13.816  -1.150   4.033
  107   2HB   LEU  12           HB1      LEU  12  12.238  -1.227   3.259
  108    HG   LEU  12           HG       LEU  12  11.562  -1.966   5.788
  109   1HD1  LEU  12          HD12      LEU  12  13.900  -1.635   6.577
  110   2HD1  LEU  12          HD11      LEU  12  13.823   0.046   6.057
  111   3HD1  LEU  12          HD13      LEU  12  12.787  -0.521   7.362
  112   1HD2  LEU  12          HD23      LEU  12  11.775   0.743   4.470
  113   2HD2  LEU  12          HD22      LEU  12  10.338  -0.243   4.724
  114   3HD2  LEU  12          HD21      LEU  12  11.091   0.582   6.085
  115    H    LYS  13           HN       LYS  13  11.228  -3.989   5.698
  116    HA   LYS  13           HA       LYS  13   9.094  -4.348   3.650
  117   1HB   LYS  13           HB2      LYS  13   9.975  -6.465   5.635
  118   2HB   LYS  13           HB1      LYS  13   8.544  -6.580   4.626
  119   1HG   LYS  13           HG2      LYS  13   9.969  -7.649   3.190
  120   2HG   LYS  13           HG1      LYS  13  10.424  -6.014   2.734
  121   1HD   LYS  13           HD2      LYS  13  12.210  -6.080   4.506
  122   2HD   LYS  13           HD1      LYS  13  11.802  -7.764   4.794
  123   1HE   LYS  13           HE2      LYS  13  13.197  -6.522   2.470
  124   2HE   LYS  13           HE1      LYS  13  13.462  -8.086   3.227
  125   1HZ   LYS  13           HZ3      LYS  13  11.047  -7.483   1.632
  126   2HZ   LYS  13           HZ2      LYS  13  12.465  -8.114   0.943
  127   3HZ   LYS  13           HZ1      LYS  13  11.626  -9.003   2.123
  128    H    GLY  14           HN       GLY  14   7.063  -3.911   4.403
  129   1HA   GLY  14           HA2      GLY  14   6.585  -3.722   7.309
  130   2HA   GLY  14           HA1      GLY  14   6.483  -2.205   6.422
  131    H    GLU  15           HN       GLU  15   4.226  -2.485   7.422
  132    HA   GLU  15           HA       GLU  15   2.365  -3.113   5.340
  133   1HB   GLU  15           HB2      GLU  15   1.323  -5.095   6.157
  134   2HB   GLU  15           HB1      GLU  15   3.047  -5.438   6.187
  135   1HG   GLU  15           HG2      GLU  15   2.960  -4.520   8.628
  136   2HG   GLU  15           HG1      GLU  15   1.223  -4.784   8.498
  137    H    THR  16           HN       THR  16   0.568  -1.940   5.709
  138    HA   THR  16           HA       THR  16  -0.361  -1.459   8.465
  139    HB   THR  16           HB       THR  16   1.248   0.385   8.255
  140    HG1  THR  16           HG1      THR  16  -0.696   0.940   9.193
  141   1HG2  THR  16          HG21      THR  16   0.367   0.367   5.508
  142   2HG2  THR  16          HG23      THR  16  -0.003   1.936   6.208
  143   3HG2  THR  16          HG22      THR  16   1.651   1.333   6.222
  144    H    THR  17           HN       THR  17  -2.494  -0.517   8.531
  145    HA   THR  17           HA       THR  17  -3.980  -0.975   5.975
  146    HB   THR  17           HB       THR  17  -5.841  -1.689   7.279
  147    HG1  THR  17           HG1      THR  17  -5.247  -1.090   9.728
  148   1HG2  THR  17          HG23      THR  17  -3.415  -2.894   7.848
  149   2HG2  THR  17          HG22      THR  17  -3.946  -2.384   9.446
  150   3HG2  THR  17          HG21      THR  17  -4.960  -3.450   8.479
  151    H    THR  18           HN       THR  18  -5.163   0.614   5.079
  152    HA   THR  18           HA       THR  18  -5.510   3.157   6.624
  153    HB   THR  18           HB       THR  18  -3.708   3.143   4.699
  154    HG1  THR  18           HG1      THR  18  -4.243   5.094   5.426
  155   1HG2  THR  18          HG23      THR  18  -5.620   2.139   3.116
  156   2HG2  THR  18          HG22      THR  18  -6.117   3.826   3.033
  157   3HG2  THR  18          HG21      THR  18  -4.506   3.355   2.498
  158    H    GLU  19           HN       GLU  19  -7.437   4.268   6.285
  159    HA   GLU  19           HA       GLU  19  -9.592   2.633   5.071
  160   1HB   GLU  19           HB2      GLU  19 -10.028   3.461   7.310
  161   2HB   GLU  19           HB1      GLU  19  -9.664   5.109   6.812
  162   1HG   GLU  19           HG2      GLU  19 -11.652   5.334   5.621
  163   2HG   GLU  19           HG1      GLU  19 -11.783   3.605   5.312
  164    H    ALA  20           HN       ALA  20 -10.397   3.085   3.123
  165    HA   ALA  20           HA       ALA  20 -10.228   5.876   2.096
  166   1HB   ALA  20           HB1      ALA  20  -8.733   3.583   1.115
  167   2HB   ALA  20           HB3      ALA  20  -9.752   4.274  -0.142
  168   3HB   ALA  20           HB2      ALA  20  -8.570   5.282   0.686
  169    H    VAL  21           HN       VAL  21 -11.644   6.218   0.206
  170    HA   VAL  21           HA       VAL  21 -14.145   4.672   0.548
  171    HB   VAL  21           HB       VAL  21 -14.123   7.197   0.521
  172   1HG1  VAL  21          HG12      VAL  21 -12.391   7.213  -1.389
  173   2HG1  VAL  21          HG11      VAL  21 -13.743   6.873  -2.464
  174   3HG1  VAL  21          HG13      VAL  21 -13.720   8.359  -1.522
  175   1HG2  VAL  21          HG22      VAL  21 -16.160   5.843   0.009
  176   2HG2  VAL  21          HG21      VAL  21 -16.132   7.360  -0.884
  177   3HG2  VAL  21          HG23      VAL  21 -15.712   5.854  -1.694
  178    H    ASP  22           HN       ASP  22 -11.605   5.200  -1.772
  179    HA   ASP  22           HA       ASP  22 -12.781   3.060  -3.458
  180   1HB   ASP  22           HB2      ASP  22 -12.434   4.352  -5.515
  181   2HB   ASP  22           HB1      ASP  22 -13.527   5.216  -4.437
  182    H    ALA  23           HN       ALA  23 -11.165   2.401  -5.195
  183    HA   ALA  23           HA       ALA  23  -8.666   1.758  -3.915
  184   1HB   ALA  23           HB2      ALA  23  -9.846   1.335  -6.633
  185   2HB   ALA  23           HB1      ALA  23  -8.122   1.061  -6.407
  186   3HB   ALA  23           HB3      ALA  23  -9.291   0.144  -5.461
  187    H    ALA  24           HN       ALA  24  -9.708   4.378  -5.903
  188    HA   ALA  24           HA       ALA  24  -7.163   5.169  -6.962
  189   1HB   ALA  24           HB1      ALA  24  -9.729   6.032  -7.304
  190   2HB   ALA  24           HB3      ALA  24  -9.067   7.333  -6.317
  191   3HB   ALA  24           HB2      ALA  24  -8.312   6.923  -7.853
  192    H    THR  25           HN       THR  25  -8.987   6.620  -4.254
  193    HA   THR  25           HA       THR  25  -6.848   8.235  -3.322
  194    HB   THR  25           HB       THR  25  -9.052   8.704  -2.440
  195    HG1  THR  25           HG1      THR  25  -7.762   9.128  -0.786
  196   1HG2  THR  25          HG21      THR  25  -8.974   5.775  -1.765
  197   2HG2  THR  25          HG23      THR  25  -9.848   6.854  -0.685
  198   3HG2  THR  25          HG22      THR  25 -10.320   6.728  -2.374
  199    H    ALA  26           HN       ALA  26  -7.487   4.838  -2.899
  200    HA   ALA  26           HA       ALA  26  -5.777   4.438  -0.613
  201   1HB   ALA  26           HB3      ALA  26  -7.500   2.799  -1.468
  202   2HB   ALA  26           HB2      ALA  26  -6.395   2.427  -2.787
  203   3HB   ALA  26           HB1      ALA  26  -5.927   2.087  -1.122
  204    H    GLU  27           HN       GLU  27  -5.241   4.399  -4.097
  205    HA   GLU  27           HA       GLU  27  -2.568   3.417  -4.084
  206   1HB   GLU  27           HB2      GLU  27  -4.231   5.043  -5.950
  207   2HB   GLU  27           HB1      GLU  27  -2.493   5.021  -6.218
  208   1HG   GLU  27           HG2      GLU  27  -2.463   2.641  -6.465
  209   2HG   GLU  27           HG1      GLU  27  -4.094   2.485  -5.823
  210    H    LYS  28           HN       LYS  28  -3.816   6.730  -3.894
  211    HA   LYS  28           HA       LYS  28  -1.142   7.879  -3.688
  212   1HB   LYS  28           HB2      LYS  28  -3.604   9.366  -2.856
  213   2HB   LYS  28           HB1      LYS  28  -2.193   9.951  -3.730
  214   1HG   LYS  28           HG2      LYS  28  -2.897   8.461  -5.663
  215   2HG   LYS  28           HG1      LYS  28  -4.399   8.164  -4.796
  216   1HD   LYS  28           HD2      LYS  28  -4.922  10.553  -4.800
  217   2HD   LYS  28           HD1      LYS  28  -3.372  10.919  -5.548
  218   1HE   LYS  28           HE2      LYS  28  -5.562   9.214  -6.782
  219   2HE   LYS  28           HE1      LYS  28  -5.189  10.873  -7.233
  220   1HZ   LYS  28           HZ3      LYS  28  -2.792   9.634  -7.411
  221   2HZ   LYS  28           HZ2      LYS  28  -3.863   8.437  -7.961
  222   3HZ   LYS  28           HZ1      LYS  28  -3.832   9.958  -8.714
  223    H    VAL  29           HN       VAL  29  -3.761   7.135  -1.439
  224    HA   VAL  29           HA       VAL  29  -2.689   8.388   0.867
  225    HB   VAL  29           HB       VAL  29  -4.374   5.896   0.569
  226   1HG1  VAL  29          HG11      VAL  29  -3.407   7.379   3.022
  227   2HG1  VAL  29          HG13      VAL  29  -4.891   6.432   3.046
  228   3HG1  VAL  29          HG12      VAL  29  -3.352   5.649   2.705
  229   1HG2  VAL  29          HG21      VAL  29  -5.026   8.479   0.052
  230   2HG2  VAL  29          HG23      VAL  29  -6.181   7.314   0.692
  231   3HG2  VAL  29          HG22      VAL  29  -5.359   8.429   1.779
  232    H    PHE  30           HN       PHE  30  -2.438   4.942  -0.015
  233    HA   PHE  30           HA       PHE  30  -0.497   4.323   1.973
  234   1HB   PHE  30           HB2      PHE  30  -1.358   3.030  -0.592
  235   2HB   PHE  30           HB1      PHE  30   0.096   2.445   0.202
  236    HD1  PHE  30           HD1      PHE  30  -0.292   2.268   2.950
  237    HD2  PHE  30           HD2      PHE  30  -3.295   1.839  -0.048
  238    HE1  PHE  30           HE1      PHE  30  -1.682   0.986   4.514
  239    HE2  PHE  30           HE2      PHE  30  -4.660   0.544   1.526
  240    HZ   PHE  30           HZ       PHE  30  -3.851   0.094   3.796
  241    H    LYS  31           HN       LYS  31  -0.134   5.359  -1.398
  242    HA   LYS  31           HA       LYS  31   2.684   5.093  -1.579
  243   1HB   LYS  31           HB2      LYS  31   1.259   5.634  -3.515
  244   2HB   LYS  31           HB1      LYS  31   0.924   7.219  -2.824
  245   1HG   LYS  31           HG2      LYS  31   3.274   7.841  -2.971
  246   2HG   LYS  31           HG1      LYS  31   3.711   6.216  -3.486
  247   1HD   LYS  31           HD2      LYS  31   1.620   7.227  -5.197
  248   2HD   LYS  31           HD1      LYS  31   2.934   8.396  -5.131
  249   1HE   LYS  31           HE2      LYS  31   4.556   6.636  -5.704
  250   2HE   LYS  31           HE1      LYS  31   3.270   5.435  -5.715
  251   1HZ   LYS  31           HZ1      LYS  31   3.209   7.821  -7.458
  252   2HZ   LYS  31           HZ3      LYS  31   3.960   6.373  -7.929
  253   3HZ   LYS  31           HZ2      LYS  31   2.295   6.396  -7.591
  254    H    GLN  32           HN       GLN  32   0.683   7.635  -0.208
  255    HA   GLN  32           HA       GLN  32   2.741   9.541   0.284
  256   1HB   GLN  32           HB2      GLN  32   0.250   9.914   0.538
  257   2HB   GLN  32           HB1      GLN  32   0.336   9.017   2.051
  258   1HG   GLN  32           HG2      GLN  32   0.825  11.021   3.012
  259   2HG   GLN  32           HG1      GLN  32   2.423  10.831   2.295
  260   1HE2  GLN  32          HE22      GLN  32   0.597  14.039   1.191
  261   2HE2  GLN  32          HE21      GLN  32   0.672  13.309   2.723
  262    OH   TYR  33           OH       TYR  33   5.090   2.707   8.346
  263    H    TYR  33           HN       TYR  33   1.766   6.630   1.948
  264    HA   TYR  33           HA       TYR  33   3.386   7.126   4.316
  265   1HB   TYR  33           HB2      TYR  33   1.419   5.633   4.393
  266   2HB   TYR  33           HB1      TYR  33   2.209   4.542   3.259
  267    HD1  TYR  33           HD1      TYR  33   4.292   3.342   3.936
  268    HD2  TYR  33           HD2      TYR  33   2.068   5.661   6.721
  269    HE1  TYR  33           HE1      TYR  33   5.464   2.242   5.785
  270    HE2  TYR  33           HE2      TYR  33   3.238   4.560   8.573
  271    HH   TYR  33           HH       TYR  33   4.883   3.184   9.154
  272    H    ALA  34           HN       ALA  34   3.662   4.655   1.777
  273    HA   ALA  34           HA       ALA  34   6.204   3.691   2.326
  274   1HB   ALA  34           HB3      ALA  34   4.494   3.194   0.357
  275   2HB   ALA  34           HB2      ALA  34   5.562   4.272  -0.536
  276   3HB   ALA  34           HB1      ALA  34   6.201   2.800   0.189
  277    H    ASN  35           HN       ASN  35   5.358   6.700   0.720
  278    HA   ASN  35           HA       ASN  35   7.910   7.439  -0.253
  279   1HB   ASN  35           HB2      ASN  35   5.693   8.639  -0.627
  280   2HB   ASN  35           HB1      ASN  35   5.925   9.370   0.959
  281   1HD2  ASN  35          HD22      ASN  35   7.437  11.801  -1.315
  282   2HD2  ASN  35          HD21      ASN  35   5.894  11.293  -0.823
  283    H    ASP  36           HN       ASP  36   6.492   7.815   2.954
  284    HA   ASP  36           HA       ASP  36   8.694   9.330   4.046
  285   1HB   ASP  36           HB2      ASP  36   6.490   7.695   5.312
  286   2HB   ASP  36           HB1      ASP  36   7.692   8.563   6.264
  287    H    ASN  37           HN       ASN  37   8.520   6.196   2.986
  288    HA   ASN  37           HA       ASN  37  10.617   5.261   4.910
  289   1HB   ASN  37           HB2      ASN  37   8.517   3.813   3.317
  290   2HB   ASN  37           HB1      ASN  37   9.962   2.964   3.861
  291   1HD2  ASN  37          HD22      ASN  37   7.544   4.540   6.802
  292   2HD2  ASN  37          HD21      ASN  37   7.771   5.413   5.365
  293    H    GLY  38           HN       GLY  38  10.020   6.218   1.708
  294   1HA   GLY  38           HA2      GLY  38  11.695   6.569   0.041
  295   2HA   GLY  38           HA1      GLY  38  12.799   5.566   0.977
  296    H    VAL  39           HN       VAL  39   9.624   4.366   0.427
  297    HA   VAL  39           HA       VAL  39  10.730   2.393  -1.534
  298    HB   VAL  39           HB       VAL  39   8.439   2.162   0.431
  299   1HG1  VAL  39          HG11      VAL  39   9.280   0.523  -1.921
  300   2HG1  VAL  39          HG13      VAL  39   8.789  -0.345  -0.470
  301   3HG1  VAL  39          HG12      VAL  39   7.672   0.770  -1.250
  302   1HG2  VAL  39          HG22      VAL  39  10.781   2.003   1.334
  303   2HG2  VAL  39          HG21      VAL  39   9.867   0.508   1.511
  304   3HG2  VAL  39          HG23      VAL  39  11.070   0.660   0.233
  305    H    ASP  40           HN       ASP  40  10.151   2.894  -3.556
  306    HA   ASP  40           HA       ASP  40   7.325   3.205  -4.223
  307   1HB   ASP  40           HB2      ASP  40   9.180   5.542  -4.166
  308   2HB   ASP  40           HB1      ASP  40   8.032   5.442  -5.498
  309    H    GLY  41           HN       GLY  41   7.046   2.161  -6.089
  310   1HA   GLY  41           HA2      GLY  41   8.617   2.574  -8.435
  311   2HA   GLY  41           HA1      GLY  41   9.180   1.107  -7.639
  312    H    GLU  42           HN       GLU  42   7.617  -0.601  -7.274
  313    HA   GLU  42           HA       GLU  42   5.509  -0.627  -9.393
  314   1HB   GLU  42           HB2      GLU  42   6.840  -2.905  -7.924
  315   2HB   GLU  42           HB1      GLU  42   5.645  -3.083  -9.200
  316   1HG   GLU  42           HG2      GLU  42   7.925  -1.331  -9.898
  317   2HG   GLU  42           HG1      GLU  42   8.355  -3.019  -9.636
  318    CH2  TRP  43           CH2      TRP  43   2.195   2.529  -2.043
  319    H    TRP  43           HN       TRP  43   3.432  -0.666  -8.799
  320    HA   TRP  43           HA       TRP  43   2.800  -1.288  -5.936
  321   1HB   TRP  43           HB2      TRP  43   1.769   0.828  -7.797
  322   2HB   TRP  43           HB1      TRP  43   0.804   0.298  -6.429
  323    HD1  TRP  43           HD1      TRP  43   4.382   1.563  -7.180
  324    HE1  TRP  43           HE1      TRP  43   5.112   2.884  -5.135
  325    HE3  TRP  43           HE3      TRP  43   0.450   0.708  -4.256
  326    HZ2  TRP  43           HZ2      TRP  43   4.099   3.424  -2.401
  327    HZ3  TRP  43           HZ3      TRP  43   0.311   1.531  -1.961
  328    HH2  TRP  43           HH2      TRP  43   2.132   2.886  -1.026
  329    H    THR  44           HN       THR  44   1.256  -2.745  -5.539
  330    HA   THR  44           HA       THR  44  -0.334  -3.777  -7.860
  331    HB   THR  44           HB       THR  44  -0.243  -6.007  -6.476
  332    HG1  THR  44           HG1      THR  44   2.177  -5.040  -5.567
  333   1HG2  THR  44          HG21      THR  44   2.068  -4.729  -7.948
  334   2HG2  THR  44          HG23      THR  44   2.273  -6.307  -7.196
  335   3HG2  THR  44          HG22      THR  44   1.067  -6.084  -8.460
  336    OH   TYR  45           OH       TYR  45  -8.882  -1.362  -3.143
  337    H    TYR  45           HN       TYR  45  -2.301  -5.012  -7.111
  338    HA   TYR  45           HA       TYR  45  -3.494  -3.932  -4.604
  339   1HB   TYR  45           HB2      TYR  45  -4.019  -2.509  -6.706
  340   2HB   TYR  45           HB1      TYR  45  -5.006  -3.875  -7.228
  341    HD1  TYR  45           HD1      TYR  45  -6.532  -4.770  -4.927
  342    HD2  TYR  45           HD2      TYR  45  -5.325  -0.807  -5.864
  343    HE1  TYR  45           HE1      TYR  45  -8.314  -3.893  -3.517
  344    HE2  TYR  45           HE2      TYR  45  -7.152   0.067  -4.499
  345    HH   TYR  45           HH       TYR  45  -8.839  -0.403  -3.170
  346    H    ASP  46           HN       ASP  46  -4.503  -5.535  -3.535
  347    HA   ASP  46           HA       ASP  46  -5.234  -8.015  -5.053
  348   1HB   ASP  46           HB2      ASP  46  -3.462  -8.084  -3.172
  349   2HB   ASP  46           HB1      ASP  46  -4.821  -7.869  -2.074
  350    H    ASP  47           HN       ASP  47  -7.263  -6.793  -5.557
  351    HA   ASP  47           HA       ASP  47  -9.120  -6.098  -3.475
  352   1HB   ASP  47           HB2      ASP  47  -9.450  -5.156  -5.661
  353   2HB   ASP  47           HB1      ASP  47  -9.508  -6.752  -6.404
  354    H    ALA  48           HN       ALA  48  -7.935  -9.056  -4.306
  355    HA   ALA  48           HA       ALA  48 -10.366 -10.642  -4.147
  356   1HB   ALA  48           HB1      ALA  48  -7.815 -11.156  -4.980
  357   2HB   ALA  48           HB3      ALA  48  -7.821 -11.939  -3.404
  358   3HB   ALA  48           HB2      ALA  48  -9.005 -12.403  -4.622
  359    H    THR  49           HN       THR  49  -8.159  -9.263  -1.863
  360    HA   THR  49           HA       THR  49  -9.828 -10.359   0.339
  361    HB   THR  49           HB       THR  49  -7.784 -11.000   1.638
  362    HG1  THR  49           HG1      THR  49  -6.609  -9.375   0.245
  363   1HG2  THR  49          HG23      THR  49  -8.865 -12.601  -0.166
  364   2HG2  THR  49          HG22      THR  49  -7.429 -12.210  -1.106
  365   3HG2  THR  49          HG21      THR  49  -7.268 -12.993   0.462
  366    H    LYS  50           HN       LYS  50  -8.969  -7.719  -1.095
  367    HA   LYS  50           HA       LYS  50  -8.694  -5.485  -0.444
  368   1HB   LYS  50           HB2      LYS  50  -9.474  -6.392   2.327
  369   2HB   LYS  50           HB1      LYS  50  -9.742  -4.818   1.585
  370   1HG   LYS  50           HG2      LYS  50 -11.190  -5.985  -0.140
  371   2HG   LYS  50           HG1      LYS  50 -11.058  -7.445   0.833
  372   1HD   LYS  50           HD2      LYS  50 -12.073  -6.317   2.745
  373   2HD   LYS  50           HD1      LYS  50 -12.086  -4.786   1.876
  374   1HE   LYS  50           HE2      LYS  50 -13.510  -7.258   0.857
  375   2HE   LYS  50           HE1      LYS  50 -14.297  -6.065   1.882
  376   1HZ   LYS  50           HZ3      LYS  50 -12.949  -5.365  -0.658
  377   2HZ   LYS  50           HZ2      LYS  50 -14.598  -5.759  -0.563
  378   3HZ   LYS  50           HZ1      LYS  50 -14.000  -4.402   0.265
  379    H    THR  51           HN       THR  51  -6.366  -6.393  -0.727
  380    HA   THR  51           HA       THR  51  -4.829  -5.499   1.661
  381    HB   THR  51           HB       THR  51  -4.403  -8.151   0.200
  382    HG1  THR  51           HG1      THR  51  -5.054  -7.316   2.841
  383   1HG2  THR  51          HG22      THR  51  -2.372  -6.599   1.348
  384   2HG2  THR  51          HG21      THR  51  -2.900  -7.622   2.673
  385   3HG2  THR  51          HG23      THR  51  -2.334  -8.345   1.174
  386    H    PHE  52           HN       PHE  52  -3.655  -3.811   0.881
  387    HA   PHE  52           HA       PHE  52  -2.971  -3.639  -1.951
  388   1HB   PHE  52           HB2      PHE  52  -3.007  -1.868   0.331
  389   2HB   PHE  52           HB1      PHE  52  -1.484  -1.730  -0.539
  390    HD1  PHE  52           HD1      PHE  52  -1.483  -1.101  -2.968
  391    HD2  PHE  52           HD2      PHE  52  -5.071  -1.227  -0.715
  392    HE1  PHE  52           HE1      PHE  52  -2.653   0.158  -4.733
  393    HE2  PHE  52           HE2      PHE  52  -6.195   0.138  -2.386
  394    HZ   PHE  52           HZ       PHE  52  -4.973   0.886  -4.375
  395    H    THR  53           HN       THR  53  -0.700  -3.373  -2.665
  396    HA   THR  53           HA       THR  53   1.382  -4.373  -0.856
  397    HB   THR  53           HB       THR  53   0.530  -5.996  -3.285
  398    HG1  THR  53           HG1      THR  53  -0.714  -6.537  -1.583
  399   1HG2  THR  53          HG23      THR  53   2.916  -6.094  -1.429
  400   2HG2  THR  53          HG22      THR  53   2.269  -7.582  -2.113
  401   3HG2  THR  53          HG21      THR  53   2.887  -6.321  -3.175
  402    H    VAL  54           HN       VAL  54   3.370  -3.674  -1.449
  403    HA   VAL  54           HA       VAL  54   3.736  -2.623  -4.212
  404    HB   VAL  54           HB       VAL  54   3.052  -0.727  -2.730
  405   1HG1  VAL  54          HG13      VAL  54   4.007  -1.715  -0.652
  406   2HG1  VAL  54          HG12      VAL  54   5.622  -1.350  -1.251
  407   3HG1  VAL  54          HG11      VAL  54   4.495  -0.046  -0.902
  408   1HG2  VAL  54          HG23      VAL  54   5.908  -0.748  -3.745
  409   2HG2  VAL  54          HG22      VAL  54   4.484  -0.124  -4.559
  410   3HG2  VAL  54          HG21      VAL  54   5.122   0.698  -3.144
  411    H    THR  55           HN       THR  55   5.930  -2.581  -4.857
  412    HA   THR  55           HA       THR  55   7.918  -3.760  -2.988
  413    HB   THR  55           HB       THR  55   7.306  -4.976  -5.720
  414    HG1  THR  55           HG1      THR  55   5.757  -5.479  -4.178
  415   1HG2  THR  55          HG23      THR  55   9.498  -5.282  -3.736
  416   2HG2  THR  55          HG22      THR  55   8.726  -6.789  -4.221
  417   3HG2  THR  55          HG21      THR  55   9.462  -5.747  -5.431
  418    H    GLU  56           HN       GLU  56   9.698  -2.515  -3.128
  419    HA   GLU  56           HA       GLU  56  10.089  -0.641  -5.309
  420   1HB   GLU  56           HB2      GLU  56  11.110  -0.976  -2.706
  421   2HB   GLU  56           HB1      GLU  56  12.498  -1.111  -3.777
  422   1HG   GLU  56           HG2      GLU  56  10.459   1.143  -3.847
  423   2HG   GLU  56           HG1      GLU  56  12.059   1.253  -3.121
   
  Start of MODEL          19
 Raw file had 423 H/Q atoms
  Entry Start of MODEL   19
    1   1H    MET   1           HT2      MET   1 -13.432  -0.670   5.802
    2   2H    MET   1           HT1      MET   1 -14.723   0.404   5.546
    3   3H    MET   1           HT3      MET   1 -14.751  -1.141   4.842
    4    HA   MET   1           HA       MET   1 -13.524  -0.529   3.110
    5   1HB   MET   1           HB2      MET   1 -13.397   2.066   2.857
    6   2HB   MET   1           HB1      MET   1 -14.977   1.291   2.864
    7   1HG   MET   1           HG2      MET   1 -14.497   3.364   4.411
    8   2HG   MET   1           HG1      MET   1 -15.503   2.051   4.960
    9   1HE   MET   1           HE1      MET   1 -15.374   3.270   7.076
   10   2HE   MET   1           HE3      MET   1 -15.388   1.550   7.462
   11   3HE   MET   1           HE2      MET   1 -14.323   2.642   8.346
   12    H    THR   2           HN       THR   2 -11.676  -1.502   4.501
   13    HA   THR   2           HA       THR   2  -9.452   0.473   4.426
   14    HB   THR   2           HB       THR   2  -9.818  -1.441   6.763
   15    HG1  THR   2           HG1      THR   2 -10.202   1.365   6.661
   16   1HG2  THR   2          HG23      THR   2  -7.544  -0.149   5.969
   17   2HG2  THR   2          HG22      THR   2  -8.314   1.126   6.908
   18   3HG2  THR   2          HG21      THR   2  -7.942  -0.421   7.662
   19    OH   TYR   3           OH       TYR   3 -11.528   0.353  -1.033
   20    H    TYR   3           HN       TYR   3  -7.837  -0.335   3.236
   21    HA   TYR   3           HA       TYR   3  -7.760  -3.281   2.781
   22   1HB   TYR   3           HB2      TYR   3  -6.094  -1.256   1.305
   23   2HB   TYR   3           HB1      TYR   3  -6.612  -2.845   0.769
   24    HD1  TYR   3           HD1      TYR   3  -7.886   0.544   1.650
   25    HD2  TYR   3           HD2      TYR   3  -8.668  -3.100  -0.400
   26    HE1  TYR   3           HE1      TYR   3  -9.879   1.545   0.632
   27    HE2  TYR   3           HE2      TYR   3 -10.663  -2.099  -1.417
   28    HH   TYR   3           HH       TYR   3 -11.255   0.819  -1.826
   29    H    LYS   4           HN       LYS   4  -5.665  -4.353   2.765
   30    HA   LYS   4           HA       LYS   4  -3.879  -3.245   4.890
   31   1HB   LYS   4           HB2      LYS   4  -5.113  -5.621   4.896
   32   2HB   LYS   4           HB1      LYS   4  -3.698  -6.079   3.966
   33   1HG   LYS   4           HG2      LYS   4  -2.439  -4.747   5.922
   34   2HG   LYS   4           HG1      LYS   4  -3.881  -5.211   6.817
   35   1HD   LYS   4           HD2      LYS   4  -2.052  -7.097   5.293
   36   2HD   LYS   4           HD1      LYS   4  -2.139  -6.940   7.044
   37   1HE   LYS   4           HE2      LYS   4  -4.763  -7.361   6.485
   38   2HE   LYS   4           HE1      LYS   4  -4.027  -8.261   5.165
   39   1HZ   LYS   4           HZ1      LYS   4  -2.566  -8.946   7.370
   40   2HZ   LYS   4           HZ3      LYS   4  -4.168  -8.907   7.932
   41   3HZ   LYS   4           HZ2      LYS   4  -3.755  -9.892   6.612
   42    H    LEU   5           HN       LEU   5  -1.954  -2.486   4.239
   43    HA   LEU   5           HA       LEU   5  -1.023  -3.130   1.512
   44   1HB   LEU   5           HB2      LEU   5  -0.903  -0.799   2.089
   45   2HB   LEU   5           HB1      LEU   5  -0.132  -1.145   3.627
   46    HG   LEU   5           HG       LEU   5   1.902  -1.987   2.328
   47   1HD1  LEU   5          HD11      LEU   5   0.414  -0.722   0.004
   48   2HD1  LEU   5          HD13      LEU   5   2.061  -1.332  -0.044
   49   3HD1  LEU   5          HD12      LEU   5   0.722  -2.445   0.179
   50   1HD2  LEU   5          HD22      LEU   5   1.598   0.371   3.251
   51   2HD2  LEU   5          HD21      LEU   5   2.761   0.203   1.941
   52   3HD2  LEU   5          HD23      LEU   5   1.159   0.848   1.616
   53    H    ILE   6           HN       ILE   6   1.069  -3.954   1.091
   54    HA   ILE   6           HA       ILE   6   2.475  -5.232   3.351
   55    HB   ILE   6           HB       ILE   6   2.037  -6.532   0.656
   56   1HG1  ILE   6          HG12      ILE   6   0.611  -6.847   3.312
   57   2HG1  ILE   6          HG11      ILE   6  -0.104  -6.477   1.748
   58   1HG2  ILE   6          HG22      ILE   6   4.101  -7.103   2.106
   59   2HG2  ILE   6          HG21      ILE   6   2.956  -7.803   3.243
   60   3HG2  ILE   6          HG23      ILE   6   3.086  -8.449   1.611
   61   1HD1  ILE   6           HD1      ILE   6   0.848  -8.755   0.976
   62   2HD1  ILE   6           HD3      ILE   6   1.084  -9.097   2.686
   63   3HD1  ILE   6           HD2      ILE   6  -0.533  -8.796   2.065
   64    H    LEU   7           HN       LEU   7   4.262  -3.987   3.429
   65    HA   LEU   7           HA       LEU   7   5.485  -2.912   1.010
   66   1HB   LEU   7           HB2      LEU   7   6.178  -2.810   3.930
   67   2HB   LEU   7           HB1      LEU   7   7.267  -2.164   2.707
   68    HG   LEU   7           HG       LEU   7   4.392  -1.376   2.526
   69   1HD1  LEU   7          HD11      LEU   7   6.328  -0.250   4.582
   70   2HD1  LEU   7          HD13      LEU   7   4.760   0.443   4.182
   71   3HD1  LEU   7          HD12      LEU   7   4.853  -1.144   4.938
   72   1HD2  LEU   7          HD22      LEU   7   6.212  -0.653   0.927
   73   2HD2  LEU   7          HD21      LEU   7   5.375   0.686   1.704
   74   3HD2  LEU   7          HD23      LEU   7   6.972   0.202   2.265
   75    H    ASN   8           HN       ASN   8   6.673  -4.126  -0.297
   76    HA   ASN   8           HA       ASN   8   8.352  -6.283   0.896
   77   1HB   ASN   8           HB2      ASN   8   6.739  -6.027  -1.526
   78   2HB   ASN   8           HB1      ASN   8   8.358  -6.593  -1.876
   79   1HD2  ASN   8          HD22      ASN   8   5.804  -9.241  -0.629
   80   2HD2  ASN   8          HD21      ASN   8   5.474  -7.840  -1.518
   81    H    GLY   9           HN       GLY   9   9.144  -3.595   1.084
   82   1HA   GLY   9           HA2      GLY   9  10.871  -2.750  -1.019
   83   2HA   GLY   9           HA1      GLY   9  10.986  -2.203   0.645
   84    H    LYS  10           HN       LYS  10  13.024  -3.049  -1.403
   85    HA   LYS  10           HA       LYS  10  14.189  -5.528  -0.450
   86   1HB   LYS  10           HB2      LYS  10  14.626  -4.584  -2.720
   87   2HB   LYS  10           HB1      LYS  10  15.513  -3.263  -1.969
   88   1HG   LYS  10           HG2      LYS  10  17.359  -4.556  -1.879
   89   2HG   LYS  10           HG1      LYS  10  16.502  -5.705  -0.860
   90   1HD   LYS  10           HD2      LYS  10  15.526  -6.733  -2.938
   91   2HD   LYS  10           HD1      LYS  10  16.541  -5.657  -3.895
   92   1HE   LYS  10           HE2      LYS  10  17.562  -7.649  -1.842
   93   2HE   LYS  10           HE1      LYS  10  17.597  -7.890  -3.584
   94   1HZ   LYS  10           HZ2      LYS  10  18.844  -5.516  -2.360
   95   2HZ   LYS  10           HZ1      LYS  10  19.676  -6.995  -2.443
   96   3HZ   LYS  10           HZ3      LYS  10  19.160  -6.230  -3.868
   97    H    THR  11           HN       THR  11  14.494  -2.149   0.334
   98    HA   THR  11           HA       THR  11  16.687  -2.712   2.244
   99    HB   THR  11           HB       THR  11  16.274  -0.062   2.550
  100    HG1  THR  11           HG1      THR  11  15.212   0.717   0.805
  101   1HG2  THR  11          HG22      THR  11  17.659  -1.580   0.346
  102   2HG2  THR  11          HG21      THR  11  17.554   0.175   0.230
  103   3HG2  THR  11          HG23      THR  11  18.372  -0.571   1.599
  104    H    LEU  12           HN       LEU  12  13.345  -2.687   2.163
  105    HA   LEU  12           HA       LEU  12  13.179  -2.886   5.072
  106   1HB   LEU  12           HB2      LEU  12  13.209  -0.365   4.477
  107   2HB   LEU  12           HB1      LEU  12  11.586  -0.640   3.855
  108    HG   LEU  12           HG       LEU  12  11.344  -1.885   6.239
  109   1HD1  LEU  12          HD11      LEU  12  13.801  -1.131   6.666
  110   2HD1  LEU  12          HD13      LEU  12  13.112   0.471   6.908
  111   3HD1  LEU  12          HD12      LEU  12  12.625  -0.864   7.948
  112   1HD2  LEU  12          HD22      LEU  12  11.128   1.108   5.755
  113   2HD2  LEU  12          HD21      LEU  12   9.887  -0.086   5.386
  114   3HD2  LEU  12          HD23      LEU  12  10.330   0.235   7.059
  115    H    LYS  13           HN       LYS  13  11.213  -3.753   5.772
  116    HA   LYS  13           HA       LYS  13   9.132  -4.275   3.705
  117   1HB   LYS  13           HB2      LYS  13  10.377  -6.401   5.476
  118   2HB   LYS  13           HB1      LYS  13   9.001  -6.648   4.413
  119   1HG   LYS  13           HG2      LYS  13  10.647  -7.310   2.944
  120   2HG   LYS  13           HG1      LYS  13  10.722  -5.588   2.622
  121   1HD   LYS  13           HD2      LYS  13  12.962  -6.000   3.062
  122   2HD   LYS  13           HD1      LYS  13  12.414  -5.625   4.689
  123   1HE   LYS  13           HE2      LYS  13  13.049  -8.299   3.471
  124   2HE   LYS  13           HE1      LYS  13  13.540  -7.649   5.029
  125   1HZ   LYS  13           HZ1      LYS  13  10.774  -8.452   4.322
  126   2HZ   LYS  13           HZ3      LYS  13  11.863  -9.390   5.226
  127   3HZ   LYS  13           HZ2      LYS  13  11.308  -7.908   5.839
  128    H    GLY  14           HN       GLY  14   7.060  -4.317   4.527
  129   1HA   GLY  14           HA2      GLY  14   6.541  -4.666   7.364
  130   2HA   GLY  14           HA1      GLY  14   6.425  -2.979   6.879
  131    H    GLU  15           HN       GLU  15   4.187  -3.107   7.482
  132    HA   GLU  15           HA       GLU  15   2.424  -3.551   5.281
  133   1HB   GLU  15           HB2      GLU  15   1.090  -5.406   6.558
  134   2HB   GLU  15           HB1      GLU  15   2.491  -5.874   5.601
  135   1HG   GLU  15           HG2      GLU  15   3.816  -6.255   7.474
  136   2HG   GLU  15           HG1      GLU  15   2.927  -5.101   8.465
  137    H    THR  16           HN       THR  16   0.776  -2.164   5.611
  138    HA   THR  16           HA       THR  16  -0.223  -1.757   8.377
  139    HB   THR  16           HB       THR  16   1.359   0.047   8.296
  140    HG1  THR  16           HG1      THR  16  -0.213   1.824   7.847
  141   1HG2  THR  16          HG21      THR  16   0.449   0.218   5.436
  142   2HG2  THR  16          HG23      THR  16   0.952   1.700   6.240
  143   3HG2  THR  16          HG22      THR  16   2.081   0.357   6.080
  144    H    THR  17           HN       THR  17  -2.316  -0.866   8.491
  145    HA   THR  17           HA       THR  17  -3.853  -1.155   5.949
  146    HB   THR  17           HB       THR  17  -5.718  -1.825   7.275
  147    HG1  THR  17           HG1      THR  17  -5.598  -1.268   9.566
  148   1HG2  THR  17          HG23      THR  17  -3.342  -3.149   7.761
  149   2HG2  THR  17          HG22      THR  17  -3.800  -2.641   9.381
  150   3HG2  THR  17          HG21      THR  17  -4.893  -3.643   8.431
  151    H    THR  18           HN       THR  18  -5.029   0.497   5.142
  152    HA   THR  18           HA       THR  18  -5.221   3.007   6.761
  153    HB   THR  18           HB       THR  18  -3.430   2.981   4.827
  154    HG1  THR  18           HG1      THR  18  -3.976   4.883   5.760
  155   1HG2  THR  18          HG23      THR  18  -5.396   2.119   3.225
  156   2HG2  THR  18          HG22      THR  18  -5.810   3.828   3.197
  157   3HG2  THR  18          HG21      THR  18  -4.227   3.296   2.641
  158    H    GLU  19           HN       GLU  19  -7.088   4.215   6.474
  159    HA   GLU  19           HA       GLU  19  -9.350   2.723   5.304
  160   1HB   GLU  19           HB2      GLU  19  -9.773   3.686   7.462
  161   2HB   GLU  19           HB1      GLU  19  -9.169   5.256   6.946
  162   1HG   GLU  19           HG2      GLU  19 -11.056   5.679   5.599
  163   2HG   GLU  19           HG1      GLU  19 -11.483   3.974   5.498
  164    H    ALA  20           HN       ALA  20 -10.205   3.164   3.363
  165    HA   ALA  20           HA       ALA  20  -9.722   5.841   2.149
  166   1HB   ALA  20           HB3      ALA  20  -8.411   3.446   1.362
  167   2HB   ALA  20           HB2      ALA  20  -9.568   3.848   0.097
  168   3HB   ALA  20           HB1      ALA  20  -8.344   5.019   0.577
  169    H    VAL  21           HN       VAL  21 -11.259   6.458   0.587
  170    HA   VAL  21           HA       VAL  21 -13.869   5.145   0.939
  171    HB   VAL  21           HB       VAL  21 -13.421   7.692   0.890
  172   1HG1  VAL  21          HG12      VAL  21 -12.126   7.306  -1.368
  173   2HG1  VAL  21          HG11      VAL  21 -13.733   7.342  -2.086
  174   3HG1  VAL  21          HG13      VAL  21 -13.135   8.739  -1.193
  175   1HG2  VAL  21          HG23      VAL  21 -15.564   6.461  -0.880
  176   2HG2  VAL  21          HG22      VAL  21 -15.679   6.694   0.862
  177   3HG2  VAL  21          HG21      VAL  21 -15.613   8.089  -0.211
  178    H    ASP  22           HN       ASP  22 -11.362   5.395  -1.446
  179    HA   ASP  22           HA       ASP  22 -12.823   3.437  -3.126
  180   1HB   ASP  22           HB2      ASP  22 -12.382   4.732  -5.183
  181   2HB   ASP  22           HB1      ASP  22 -13.407   5.638  -4.074
  182    H    ALA  23           HN       ALA  23 -11.348   2.602  -4.901
  183    HA   ALA  23           HA       ALA  23  -8.847   1.778  -3.707
  184   1HB   ALA  23           HB2      ALA  23 -10.328   1.239  -6.208
  185   2HB   ALA  23           HB1      ALA  23  -8.578   1.071  -6.324
  186   3HB   ALA  23           HB3      ALA  23  -9.477   0.124  -5.143
  187    H    ALA  24           HN       ALA  24  -9.768   4.297  -5.932
  188    HA   ALA  24           HA       ALA  24  -7.171   4.848  -7.018
  189   1HB   ALA  24           HB3      ALA  24  -9.636   6.553  -6.625
  190   2HB   ALA  24           HB2      ALA  24  -8.175   7.179  -7.384
  191   3HB   ALA  24           HB1      ALA  24  -9.041   5.834  -8.119
  192    H    THR  25           HN       THR  25  -8.942   6.597  -4.464
  193    HA   THR  25           HA       THR  25  -6.722   8.168  -3.633
  194    HB   THR  25           HB       THR  25  -9.294   8.319  -2.972
  195    HG1  THR  25           HG1      THR  25  -6.880   9.031  -1.855
  196   1HG2  THR  25          HG22      THR  25  -8.958   6.069  -1.613
  197   2HG2  THR  25          HG21      THR  25  -8.141   7.115  -0.456
  198   3HG2  THR  25          HG23      THR  25  -9.832   7.397  -0.857
  199    H    ALA  26           HN       ALA  26  -7.507   4.861  -3.064
  200    HA   ALA  26           HA       ALA  26  -5.931   4.510  -0.664
  201   1HB   ALA  26           HB2      ALA  26  -7.687   2.898  -1.408
  202   2HB   ALA  26           HB1      ALA  26  -6.653   2.444  -2.759
  203   3HB   ALA  26           HB3      ALA  26  -6.137   2.120  -1.106
  204    H    GLU  27           HN       GLU  27  -5.270   4.402  -4.098
  205    HA   GLU  27           HA       GLU  27  -2.654   3.240  -3.943
  206   1HB   GLU  27           HB2      GLU  27  -4.001   5.031  -5.972
  207   2HB   GLU  27           HB1      GLU  27  -2.374   4.407  -6.197
  208   1HG   GLU  27           HG2      GLU  27  -3.286   2.082  -5.878
  209   2HG   GLU  27           HG1      GLU  27  -4.904   2.775  -5.839
  210    H    LYS  28           HN       LYS  28  -3.783   6.601  -4.046
  211    HA   LYS  28           HA       LYS  28  -1.107   7.706  -3.822
  212   1HB   LYS  28           HB2      LYS  28  -3.805   8.982  -3.327
  213   2HB   LYS  28           HB1      LYS  28  -2.284   9.852  -3.468
  214   1HG   LYS  28           HG2      LYS  28  -2.297   9.706  -5.733
  215   2HG   LYS  28           HG1      LYS  28  -2.710   7.997  -5.692
  216   1HD   LYS  28           HD2      LYS  28  -4.522   9.276  -6.763
  217   2HD   LYS  28           HD1      LYS  28  -5.083   8.589  -5.247
  218   1HE   LYS  28           HE2      LYS  28  -3.867  11.303  -5.083
  219   2HE   LYS  28           HE1      LYS  28  -5.421  11.200  -5.895
  220   1HZ   LYS  28           HZ3      LYS  28  -5.717   9.663  -3.664
  221   2HZ   LYS  28           HZ2      LYS  28  -4.811  10.992  -3.123
  222   3HZ   LYS  28           HZ1      LYS  28  -6.307  11.239  -3.887
  223    H    VAL  29           HN       VAL  29  -3.711   6.994  -1.554
  224    HA   VAL  29           HA       VAL  29  -2.656   8.321   0.723
  225    HB   VAL  29           HB       VAL  29  -4.363   5.853   0.427
  226   1HG1  VAL  29          HG13      VAL  29  -3.248   7.170   2.903
  227   2HG1  VAL  29          HG12      VAL  29  -4.788   6.317   2.951
  228   3HG1  VAL  29          HG11      VAL  29  -3.317   5.455   2.513
  229   1HG2  VAL  29          HG21      VAL  29  -5.015   8.420   0.008
  230   2HG2  VAL  29          HG23      VAL  29  -6.142   7.299   0.764
  231   3HG2  VAL  29          HG22      VAL  29  -5.193   8.398   1.759
  232    H    PHE  30           HN       PHE  30  -2.407   4.847  -0.032
  233    HA   PHE  30           HA       PHE  30  -0.451   4.276   1.946
  234   1HB   PHE  30           HB2      PHE  30  -1.300   2.953  -0.606
  235   2HB   PHE  30           HB1      PHE  30   0.163   2.391   0.184
  236    HD1  PHE  30           HD1      PHE  30  -0.203   2.215   2.931
  237    HD2  PHE  30           HD2      PHE  30  -3.221   1.751  -0.046
  238    HE1  PHE  30           HE1      PHE  30  -1.580   0.929   4.512
  239    HE2  PHE  30           HE2      PHE  30  -4.565   0.452   1.536
  240    HZ   PHE  30           HZ       PHE  30  -3.743   0.005   3.801
  241    H    LYS  31           HN       LYS  31  -0.107   5.315  -1.418
  242    HA   LYS  31           HA       LYS  31   2.707   5.055  -1.636
  243   1HB   LYS  31           HB2      LYS  31   1.211   5.603  -3.537
  244   2HB   LYS  31           HB1      LYS  31   0.958   7.206  -2.851
  245   1HG   LYS  31           HG2      LYS  31   3.323   7.736  -3.068
  246   2HG   LYS  31           HG1      LYS  31   3.684   6.091  -3.580
  247   1HD   LYS  31           HD2      LYS  31   2.246   6.410  -5.581
  248   2HD   LYS  31           HD1      LYS  31   1.924   8.065  -5.074
  249   1HE   LYS  31           HE2      LYS  31   4.704   7.878  -4.975
  250   2HE   LYS  31           HE1      LYS  31   4.280   6.962  -6.414
  251   1HZ   LYS  31           HZ2      LYS  31   2.885   8.899  -7.076
  252   2HZ   LYS  31           HZ1      LYS  31   3.580   9.770  -5.794
  253   3HZ   LYS  31           HZ3      LYS  31   4.557   9.196  -7.059
  254    H    GLN  32           HN       GLN  32   0.728   7.594  -0.227
  255    HA   GLN  32           HA       GLN  32   2.827   9.484   0.228
  256   1HB   GLN  32           HB2      GLN  32   0.395   9.997   0.443
  257   2HB   GLN  32           HB1      GLN  32   0.344   9.016   1.902
  258   1HG   GLN  32           HG2      GLN  32   1.962  10.484   2.998
  259   2HG   GLN  32           HG1      GLN  32   2.162  11.418   1.518
  260   1HE2  GLN  32          HE22      GLN  32  -0.350  13.112   3.756
  261   2HE2  GLN  32          HE21      GLN  32   1.254  12.602   3.978
  262    OH   TYR  33           OH       TYR  33   4.950   2.607   8.314
  263    H    TYR  33           HN       TYR  33   1.715   6.669   1.979
  264    HA   TYR  33           HA       TYR  33   3.308   7.145   4.351
  265   1HB   TYR  33           HB2      TYR  33   1.341   5.671   4.413
  266   2HB   TYR  33           HB1      TYR  33   2.109   4.585   3.260
  267    HD1  TYR  33           HD1      TYR  33   4.231   3.397   3.916
  268    HD2  TYR  33           HD2      TYR  33   1.923   5.584   6.740
  269    HE1  TYR  33           HE1      TYR  33   5.379   2.244   5.746
  270    HE2  TYR  33           HE2      TYR  33   3.072   4.429   8.573
  271    HH   TYR  33           HH       TYR  33   4.521   1.757   8.442
  272    H    ALA  34           HN       ALA  34   3.633   4.754   1.745
  273    HA   ALA  34           HA       ALA  34   6.170   3.762   2.368
  274   1HB   ALA  34           HB2      ALA  34   4.422   3.702   0.123
  275   2HB   ALA  34           HB1      ALA  34   6.029   4.103  -0.474
  276   3HB   ALA  34           HB3      ALA  34   5.779   2.633   0.461
  277    H    ASN  35           HN       ASN  35   5.309   6.780   0.809
  278    HA   ASN  35           HA       ASN  35   7.889   7.520  -0.150
  279   1HB   ASN  35           HB2      ASN  35   5.648   8.656  -0.625
  280   2HB   ASN  35           HB1      ASN  35   5.841   9.459   0.930
  281   1HD2  ASN  35          HD22      ASN  35   7.875  10.816  -2.268
  282   2HD2  ASN  35          HD21      ASN  35   6.690   9.606  -2.385
  283    H    ASP  36           HN       ASP  36   6.376   7.870   3.011
  284    HA   ASP  36           HA       ASP  36   8.424   9.547   4.147
  285   1HB   ASP  36           HB2      ASP  36   6.158   7.920   5.183
  286   2HB   ASP  36           HB1      ASP  36   7.436   8.322   6.327
  287    H    ASN  37           HN       ASN  37   8.853   6.652   2.855
  288    HA   ASN  37           HA       ASN  37  10.977   5.898   4.822
  289   1HB   ASN  37           HB2      ASN  37   9.095   4.060   3.324
  290   2HB   ASN  37           HB1      ASN  37  10.521   3.504   4.196
  291   1HD2  ASN  37          HD22      ASN  37   7.143   4.236   6.233
  292   2HD2  ASN  37          HD21      ASN  37   7.210   4.178   4.537
  293    H    GLY  38           HN       GLY  38   9.851   5.835   1.487
  294   1HA   GLY  38           HA2      GLY  38  11.499   6.551  -0.251
  295   2HA   GLY  38           HA1      GLY  38  12.709   5.603   0.606
  296    H    VAL  39           HN       VAL  39   9.576   4.233   0.432
  297    HA   VAL  39           HA       VAL  39  10.610   2.184  -1.455
  298    HB   VAL  39           HB       VAL  39   8.055   2.150   0.169
  299   1HG1  VAL  39          HG12      VAL  39   9.656  -0.022  -1.231
  300   2HG1  VAL  39          HG11      VAL  39   8.225  -0.298  -0.241
  301   3HG1  VAL  39          HG13      VAL  39   8.091   0.600  -1.749
  302   1HG2  VAL  39          HG22      VAL  39  10.803   1.916   0.998
  303   2HG2  VAL  39          HG21      VAL  39   9.349   1.762   1.979
  304   3HG2  VAL  39          HG23      VAL  39  10.019   0.348   1.170
  305    H    ASP  40           HN       ASP  40  10.320   2.939  -3.507
  306    HA   ASP  40           HA       ASP  40   7.515   3.293  -4.383
  307   1HB   ASP  40           HB2      ASP  40   9.567   5.434  -4.319
  308   2HB   ASP  40           HB1      ASP  40   8.615   5.318  -5.798
  309    H    GLY  41           HN       GLY  41   7.266   1.980  -6.068
  310   1HA   GLY  41           HA2      GLY  41   8.993   2.074  -8.376
  311   2HA   GLY  41           HA1      GLY  41   9.306   0.619  -7.435
  312    H    GLU  42           HN       GLU  42   7.682  -0.958  -7.255
  313    HA   GLU  42           HA       GLU  42   5.575  -0.765  -9.371
  314   1HB   GLU  42           HB2      GLU  42   6.691  -3.198  -7.975
  315   2HB   GLU  42           HB1      GLU  42   5.552  -3.212  -9.314
  316   1HG   GLU  42           HG2      GLU  42   7.210  -2.921 -10.835
  317   2HG   GLU  42           HG1      GLU  42   7.915  -1.595  -9.916
  318    CH2  TRP  43           CH2      TRP  43   2.160   2.492  -2.085
  319    H    TRP  43           HN       TRP  43   3.476  -0.796  -8.805
  320    HA   TRP  43           HA       TRP  43   2.816  -1.389  -5.939
  321   1HB   TRP  43           HB2      TRP  43   1.854   0.736  -7.823
  322   2HB   TRP  43           HB1      TRP  43   0.847   0.227  -6.478
  323    HD1  TRP  43           HD1      TRP  43   4.475   1.396  -7.137
  324    HE1  TRP  43           HE1      TRP  43   5.170   2.735  -5.092
  325    HE3  TRP  43           HE3      TRP  43   0.438   0.670  -4.320
  326    HZ2  TRP  43           HZ2      TRP  43   4.093   3.336  -2.401
  327    HZ3  TRP  43           HZ3      TRP  43   0.252   1.540  -2.042
  328    HH2  TRP  43           HH2      TRP  43   2.077   2.870  -1.078
  329    H    THR  44           HN       THR  44   1.227  -2.808  -5.541
  330    HA   THR  44           HA       THR  44  -0.370  -3.813  -7.872
  331    HB   THR  44           HB       THR  44  -0.321  -6.051  -6.502
  332    HG1  THR  44           HG1      THR  44   0.578  -4.874  -4.685
  333   1HG2  THR  44          HG21      THR  44   2.237  -4.912  -7.702
  334   2HG2  THR  44          HG23      THR  44   1.958  -6.618  -7.364
  335   3HG2  THR  44          HG22      THR  44   1.004  -5.796  -8.595
  336    OH   TYR  45           OH       TYR  45  -8.909  -1.166  -3.241
  337    H    TYR  45           HN       TYR  45  -2.396  -4.912  -7.216
  338    HA   TYR  45           HA       TYR  45  -3.577  -3.869  -4.680
  339   1HB   TYR  45           HB2      TYR  45  -4.034  -2.395  -6.761
  340   2HB   TYR  45           HB1      TYR  45  -5.053  -3.723  -7.322
  341    HD1  TYR  45           HD1      TYR  45  -6.649  -4.611  -5.068
  342    HD2  TYR  45           HD2      TYR  45  -5.299  -0.672  -5.903
  343    HE1  TYR  45           HE1      TYR  45  -8.422  -3.706  -3.661
  344    HE2  TYR  45           HE2      TYR  45  -7.117   0.231  -4.546
  345    HH   TYR  45           HH       TYR  45  -8.585  -0.372  -2.808
  346    H    ASP  46           HN       ASP  46  -4.669  -5.442  -3.650
  347    HA   ASP  46           HA       ASP  46  -5.479  -7.866  -5.217
  348   1HB   ASP  46           HB2      ASP  46  -3.703  -8.003  -3.315
  349   2HB   ASP  46           HB1      ASP  46  -5.083  -7.846  -2.239
  350    H    ASP  47           HN       ASP  47  -7.517  -6.850  -5.735
  351    HA   ASP  47           HA       ASP  47  -9.323  -5.991  -3.629
  352   1HB   ASP  47           HB2      ASP  47  -9.565  -5.093  -5.885
  353   2HB   ASP  47           HB1      ASP  47  -9.842  -6.711  -6.527
  354    H    ALA  48           HN       ALA  48  -8.319  -9.007  -4.714
  355    HA   ALA  48           HA       ALA  48 -10.773 -10.494  -4.409
  356   1HB   ALA  48           HB2      ALA  48  -8.067 -11.050  -5.101
  357   2HB   ALA  48           HB1      ALA  48  -8.506 -12.123  -3.775
  358   3HB   ALA  48           HB3      ALA  48  -9.462 -12.114  -5.253
  359    H    THR  49           HN       THR  49  -8.488  -9.177  -2.192
  360    HA   THR  49           HA       THR  49 -10.070 -10.317   0.049
  361    HB   THR  49           HB       THR  49  -8.000 -11.010   1.254
  362    HG1  THR  49           HG1      THR  49  -6.887 -10.099  -1.205
  363   1HG2  THR  49          HG23      THR  49  -9.107 -12.544  -0.588
  364   2HG2  THR  49          HG22      THR  49  -7.701 -12.094  -1.549
  365   3HG2  THR  49          HG21      THR  49  -7.488 -12.944  -0.021
  366    H    LYS  50           HN       LYS  50  -9.136  -7.648  -1.382
  367    HA   LYS  50           HA       LYS  50  -8.825  -5.427  -0.684
  368   1HB   LYS  50           HB2      LYS  50  -9.676  -6.362   2.058
  369   2HB   LYS  50           HB1      LYS  50  -9.907  -4.777   1.329
  370   1HG   LYS  50           HG2      LYS  50 -11.278  -6.029  -0.482
  371   2HG   LYS  50           HG1      LYS  50 -11.307  -7.369   0.659
  372   1HD   LYS  50           HD2      LYS  50 -12.289  -4.546   1.201
  373   2HD   LYS  50           HD1      LYS  50 -13.304  -5.964   0.960
  374   1HE   LYS  50           HE2      LYS  50 -11.787  -6.941   2.928
  375   2HE   LYS  50           HE1      LYS  50 -11.592  -5.234   3.305
  376   1HZ   LYS  50           HZ3      LYS  50 -14.294  -5.730   2.761
  377   2HZ   LYS  50           HZ2      LYS  50 -13.756  -6.886   3.883
  378   3HZ   LYS  50           HZ1      LYS  50 -13.581  -5.231   4.219
  379    H    THR  51           HN       THR  51  -6.517  -6.381  -0.938
  380    HA   THR  51           HA       THR  51  -5.008  -5.572   1.498
  381    HB   THR  51           HB       THR  51  -4.628  -8.212   0.004
  382    HG1  THR  51           HG1      THR  51  -5.003  -7.664   2.747
  383   1HG2  THR  51          HG22      THR  51  -2.577  -6.717   1.217
  384   2HG2  THR  51          HG21      THR  51  -3.131  -7.795   2.487
  385   3HG2  THR  51          HG23      THR  51  -2.563  -8.453   0.959
  386    H    PHE  52           HN       PHE  52  -3.756  -3.917   0.782
  387    HA   PHE  52           HA       PHE  52  -3.034  -3.692  -2.036
  388   1HB   PHE  52           HB2      PHE  52  -3.062  -1.983   0.290
  389   2HB   PHE  52           HB1      PHE  52  -1.525  -1.861  -0.555
  390    HD1  PHE  52           HD1      PHE  52  -1.476  -1.161  -2.967
  391    HD2  PHE  52           HD2      PHE  52  -5.098  -1.259  -0.768
  392    HE1  PHE  52           HE1      PHE  52  -2.590   0.177  -4.710
  393    HE2  PHE  52           HE2      PHE  52  -6.163   0.184  -2.415
  394    HZ   PHE  52           HZ       PHE  52  -4.896   0.953  -4.366
  395    H    THR  53           HN       THR  53  -0.726  -3.420  -2.676
  396    HA   THR  53           HA       THR  53   1.301  -4.498  -0.867
  397    HB   THR  53           HB       THR  53   0.460  -6.096  -3.316
  398    HG1  THR  53           HG1      THR  53  -0.477  -7.302  -1.813
  399   1HG2  THR  53          HG22      THR  53   2.887  -6.086  -1.584
  400   2HG2  THR  53          HG21      THR  53   2.136  -7.661  -1.825
  401   3HG2  THR  53          HG23      THR  53   2.692  -6.730  -3.212
  402    H    VAL  54           HN       VAL  54   3.304  -3.834  -1.440
  403    HA   VAL  54           HA       VAL  54   3.710  -2.778  -4.196
  404    HB   VAL  54           HB       VAL  54   3.058  -0.899  -2.644
  405   1HG1  VAL  54          HG12      VAL  54   4.218  -1.997  -0.670
  406   2HG1  VAL  54          HG11      VAL  54   5.739  -1.435  -1.351
  407   3HG1  VAL  54          HG13      VAL  54   4.512  -0.276  -0.853
  408   1HG2  VAL  54          HG22      VAL  54   5.855  -0.947  -3.810
  409   2HG2  VAL  54          HG21      VAL  54   4.394  -0.332  -4.563
  410   3HG2  VAL  54          HG23      VAL  54   5.096   0.512  -3.193
  411    H    THR  55           HN       THR  55   5.881  -2.825  -4.854
  412    HA   THR  55           HA       THR  55   7.861  -4.005  -2.975
  413    HB   THR  55           HB       THR  55   7.196  -5.264  -5.675
  414    HG1  THR  55           HG1      THR  55   5.716  -6.101  -4.397
  415   1HG2  THR  55          HG21      THR  55   9.390  -5.586  -3.700
  416   2HG2  THR  55          HG23      THR  55   8.569  -7.082  -4.137
  417   3HG2  THR  55          HG22      THR  55   9.326  -6.096  -5.380
  418    H    GLU  56           HN       GLU  56   9.562  -2.651  -3.121
  419    HA   GLU  56           HA       GLU  56  10.002  -0.824  -5.270
  420   1HB   GLU  56           HB2      GLU  56  11.122  -1.257  -2.766
  421   2HB   GLU  56           HB1      GLU  56  12.450  -1.582  -3.870
  422   1HG   GLU  56           HG2      GLU  56  10.718   0.916  -3.868
  423   2HG   GLU  56           HG1      GLU  56  12.376   0.817  -3.282
   
  Start of MODEL          20
 Raw file had 423 H/Q atoms
  Entry Start of MODEL   20
    1   1H    MET   1           HT2      MET   1 -13.017   1.676   2.580
    2   2H    MET   1           HT1      MET   1 -14.365   0.698   2.250
    3   3H    MET   1           HT3      MET   1 -14.418   1.814   3.529
    4    HA   MET   1           HA       MET   1 -13.813   0.177   4.867
    5   1HB   MET   1           HB2      MET   1 -12.862  -1.382   2.450
    6   2HB   MET   1           HB1      MET   1 -13.163  -2.024   4.061
    7   1HG   MET   1           HG2      MET   1 -15.281  -2.387   3.469
    8   2HG   MET   1           HG1      MET   1 -15.503  -0.660   3.390
    9   1HE   MET   1           HE2      MET   1 -17.251  -2.814   2.076
   10   2HE   MET   1           HE1      MET   1 -17.599  -1.095   1.891
   11   3HE   MET   1           HE3      MET   1 -17.570  -2.146   0.475
   12    H    THR   2           HN       THR   2 -11.633  -1.411   5.060
   13    HA   THR   2           HA       THR   2  -9.330   0.471   4.680
   14    HB   THR   2           HB       THR   2  -9.607  -1.461   7.008
   15    HG1  THR   2           HG1      THR   2 -11.229   0.390   6.535
   16   1HG2  THR   2          HG22      THR   2  -7.410  -0.090   6.211
   17   2HG2  THR   2          HG21      THR   2  -8.230   1.190   7.099
   18   3HG2  THR   2          HG23      THR   2  -7.799  -0.310   7.912
   19    OH   TYR   3           OH       TYR   3 -11.650   0.302  -0.687
   20    H    TYR   3           HN       TYR   3  -7.778  -0.352   3.424
   21    HA   TYR   3           HA       TYR   3  -7.717  -3.305   3.004
   22   1HB   TYR   3           HB2      TYR   3  -6.117  -1.315   1.412
   23   2HB   TYR   3           HB1      TYR   3  -6.682  -2.906   0.933
   24    HD1  TYR   3           HD1      TYR   3  -7.904   0.505   1.842
   25    HD2  TYR   3           HD2      TYR   3  -8.765  -3.149  -0.159
   26    HE1  TYR   3           HE1      TYR   3  -9.942   1.497   0.908
   27    HE2  TYR   3           HE2      TYR   3 -10.799  -2.150  -1.102
   28    HH   TYR   3           HH       TYR   3 -11.716   1.203  -0.360
   29    H    LYS   4           HN       LYS   4  -5.556  -4.323   2.835
   30    HA   LYS   4           HA       LYS   4  -3.736  -3.209   4.934
   31   1HB   LYS   4           HB2      LYS   4  -4.894  -5.632   4.906
   32   2HB   LYS   4           HB1      LYS   4  -3.483  -6.009   3.937
   33   1HG   LYS   4           HG2      LYS   4  -2.209  -4.704   5.878
   34   2HG   LYS   4           HG1      LYS   4  -3.626  -5.177   6.809
   35   1HD   LYS   4           HD2      LYS   4  -3.274  -7.539   6.132
   36   2HD   LYS   4           HD1      LYS   4  -1.841  -7.061   5.231
   37   1HE   LYS   4           HE2      LYS   4  -0.592  -7.101   7.105
   38   2HE   LYS   4           HE1      LYS   4  -1.697  -5.996   7.912
   39   1HZ   LYS   4           HZ2      LYS   4  -2.435  -8.823   7.622
   40   2HZ   LYS   4           HZ1      LYS   4  -1.334  -8.369   8.832
   41   3HZ   LYS   4           HZ3      LYS   4  -2.897  -7.705   8.815
   42    H    LEU   5           HN       LEU   5  -1.811  -2.438   4.264
   43    HA   LEU   5           HA       LEU   5  -0.990  -2.990   1.481
   44   1HB   LEU   5           HB2      LEU   5  -0.819  -0.681   2.142
   45   2HB   LEU   5           HB1      LEU   5   0.024  -1.092   3.625
   46    HG   LEU   5           HG       LEU   5   1.971  -1.917   2.199
   47   1HD1  LEU   5          HD12      LEU   5   0.325  -0.620   0.003
   48   2HD1  LEU   5          HD11      LEU   5   1.999  -1.130  -0.165
   49   3HD1  LEU   5          HD13      LEU   5   0.741  -2.327   0.102
   50   1HD2  LEU   5          HD22      LEU   5   1.773   0.405   3.207
   51   2HD2  LEU   5          HD21      LEU   5   2.830   0.283   1.805
   52   3HD2  LEU   5          HD23      LEU   5   1.212   0.950   1.631
   53    H    ILE   6           HN       ILE   6   1.007  -3.913   0.942
   54    HA   ILE   6           HA       ILE   6   2.451  -5.307   3.119
   55    HB   ILE   6           HB       ILE   6   1.599  -6.300   0.414
   56   1HG1  ILE   6          HG12      ILE   6   1.593  -7.573   3.177
   57   2HG1  ILE   6          HG11      ILE   6   0.221  -6.716   2.493
   58   1HG2  ILE   6          HG22      ILE   6   4.018  -7.054   2.039
   59   2HG2  ILE   6          HG21      ILE   6   3.190  -8.295   1.110
   60   3HG2  ILE   6          HG23      ILE   6   3.865  -6.893   0.293
   61   1HD1  ILE   6           HD3      ILE   6   0.774  -8.455   0.456
   62   2HD1  ILE   6           HD2      ILE   6   1.272  -9.416   1.843
   63   3HD1  ILE   6           HD1      ILE   6  -0.372  -8.800   1.744
   64    H    LEU   7           HN       LEU   7   4.216  -4.039   3.324
   65    HA   LEU   7           HA       LEU   7   5.486  -2.807   1.007
   66   1HB   LEU   7           HB2      LEU   7   6.139  -2.915   3.942
   67   2HB   LEU   7           HB1      LEU   7   7.226  -2.167   2.779
   68    HG   LEU   7           HG       LEU   7   4.396  -1.356   2.511
   69   1HD1  LEU   7          HD13      LEU   7   6.023  -0.794   5.002
   70   2HD1  LEU   7          HD12      LEU   7   4.729   0.276   4.473
   71   3HD1  LEU   7          HD11      LEU   7   4.371  -1.394   4.902
   72   1HD2  LEU   7          HD23      LEU   7   6.450  -0.410   1.318
   73   2HD2  LEU   7          HD22      LEU   7   5.408   0.781   2.087
   74   3HD2  LEU   7          HD21      LEU   7   6.912   0.298   2.863
   75    H    ASN   8           HN       ASN   8   6.648  -4.017  -0.360
   76    HA   ASN   8           HA       ASN   8   8.286  -6.236   0.773
   77   1HB   ASN   8           HB2      ASN   8   6.774  -5.834  -1.682
   78   2HB   ASN   8           HB1      ASN   8   8.417  -6.339  -2.022
   79   1HD2  ASN   8          HD22      ASN   8   5.888  -9.123  -1.035
   80   2HD2  ASN   8          HD21      ASN   8   5.543  -7.667  -1.823
   81    H    GLY   9           HN       GLY   9   9.118  -3.590   1.200
   82   1HA   GLY   9           HA2      GLY   9  10.919  -2.541  -0.714
   83   2HA   GLY   9           HA1      GLY   9  11.059  -2.280   1.016
   84    H    LYS  10           HN       LYS  10  13.007  -2.941  -1.229
   85    HA   LYS  10           HA       LYS  10  14.072  -5.546  -0.847
   86   1HB   LYS  10           HB2      LYS  10  14.876  -3.098  -2.150
   87   2HB   LYS  10           HB1      LYS  10  16.248  -3.777  -1.289
   88   1HG   LYS  10           HG2      LYS  10  16.271  -4.760  -3.483
   89   2HG   LYS  10           HG1      LYS  10  15.701  -6.016  -2.394
   90   1HD   LYS  10           HD2      LYS  10  13.402  -5.649  -3.063
   91   2HD   LYS  10           HD1      LYS  10  13.830  -4.182  -3.933
   92   1HE   LYS  10           HE2      LYS  10  13.506  -6.300  -5.352
   93   2HE   LYS  10           HE1      LYS  10  14.992  -5.399  -5.621
   94   1HZ   LYS  10           HZ1      LYS  10  14.919  -7.590  -3.657
   95   2HZ   LYS  10           HZ3      LYS  10  15.107  -7.927  -5.310
   96   3HZ   LYS  10           HZ2      LYS  10  16.246  -6.956  -4.507
   97    H    THR  11           HN       THR  11  14.711  -2.512   0.831
   98    HA   THR  11           HA       THR  11  16.236  -4.043   2.897
   99    HB   THR  11           HB       THR  11  16.997  -1.517   3.402
  100    HG1  THR  11           HG1      THR  11  15.577  -0.710   1.815
  101   1HG2  THR  11          HG23      THR  11  17.944  -3.456   1.305
  102   2HG2  THR  11          HG22      THR  11  18.652  -1.844   1.341
  103   3HG2  THR  11          HG21      THR  11  18.790  -2.898   2.744
  104    H    LEU  12           HN       LEU  12  13.249  -2.894   2.356
  105    HA   LEU  12           HA       LEU  12  12.790  -2.504   5.262
  106   1HB   LEU  12           HB2      LEU  12  13.171  -0.236   4.248
  107   2HB   LEU  12           HB1      LEU  12  11.780  -0.519   3.213
  108    HG   LEU  12           HG       LEU  12  10.368  -0.855   5.262
  109   1HD1  LEU  12          HD11      LEU  12  13.035  -0.415   6.552
  110   2HD1  LEU  12          HD13      LEU  12  11.626   0.280   7.345
  111   3HD1  LEU  12          HD12      LEU  12  11.707  -1.454   7.055
  112   1HD2  LEU  12          HD22      LEU  12  10.551   1.357   4.122
  113   2HD2  LEU  12          HD21      LEU  12  10.266   1.522   5.851
  114   3HD2  LEU  12          HD23      LEU  12  11.881   1.776   5.197
  115    H    LYS  13           HN       LYS  13  11.629  -4.436   5.275
  116    HA   LYS  13           HA       LYS  13   9.216  -4.572   3.535
  117   1HB   LYS  13           HB2      LYS  13  10.433  -6.706   5.299
  118   2HB   LYS  13           HB1      LYS  13   9.116  -6.933   4.157
  119   1HG   LYS  13           HG2      LYS  13  10.593  -6.313   2.294
  120   2HG   LYS  13           HG1      LYS  13  11.909  -5.996   3.418
  121   1HD   LYS  13           HD2      LYS  13  10.637  -8.668   3.659
  122   2HD   LYS  13           HD1      LYS  13  11.548  -8.392   2.178
  123   1HE   LYS  13           HE2      LYS  13  13.524  -7.749   3.467
  124   2HE   LYS  13           HE1      LYS  13  12.621  -7.876   4.971
  125   1HZ   LYS  13           HZ2      LYS  13  12.225 -10.260   4.332
  126   2HZ   LYS  13           HZ1      LYS  13  13.405 -10.051   3.129
  127   3HZ   LYS  13           HZ3      LYS  13  13.817  -9.858   4.765
  128    H    GLY  14           HN       GLY  14   7.211  -4.321   4.367
  129   1HA   GLY  14           HA2      GLY  14   6.683  -4.795   7.206
  130   2HA   GLY  14           HA1      GLY  14   6.627  -3.094   6.756
  131    H    GLU  15           HN       GLU  15   4.387  -3.148   7.371
  132    HA   GLU  15           HA       GLU  15   2.585  -3.496   5.172
  133   1HB   GLU  15           HB2      GLU  15   1.215  -5.348   6.090
  134   2HB   GLU  15           HB1      GLU  15   2.840  -5.890   5.695
  135   1HG   GLU  15           HG2      GLU  15   2.902  -6.690   7.827
  136   2HG   GLU  15           HG1      GLU  15   3.123  -5.011   8.309
  137    H    THR  16           HN       THR  16   0.889  -2.152   5.540
  138    HA   THR  16           HA       THR  16  -0.002  -1.686   8.330
  139    HB   THR  16           HB       THR  16   1.838   0.035   7.683
  140    HG1  THR  16           HG1      THR  16   0.248   0.221   9.355
  141   1HG2  THR  16          HG21      THR  16   0.435   0.391   5.389
  142   2HG2  THR  16          HG23      THR  16  -0.406   1.547   6.415
  143   3HG2  THR  16          HG22      THR  16   1.326   1.704   6.147
  144    H    THR  17           HN       THR  17  -2.099  -0.806   8.491
  145    HA   THR  17           HA       THR  17  -3.687  -1.077   5.975
  146    HB   THR  17           HB       THR  17  -5.521  -1.780   7.327
  147    HG1  THR  17           HG1      THR  17  -5.423  -1.227   9.592
  148   1HG2  THR  17          HG22      THR  17  -3.134  -3.095   7.739
  149   2HG2  THR  17          HG21      THR  17  -3.538  -2.598   9.378
  150   3HG2  THR  17          HG23      THR  17  -4.658  -3.600   8.460
  151    H    THR  18           HN       THR  18  -5.088   0.524   5.325
  152    HA   THR  18           HA       THR  18  -5.236   3.003   6.968
  153    HB   THR  18           HB       THR  18  -3.368   3.072   5.112
  154    HG1  THR  18           HG1      THR  18  -4.056   4.902   6.162
  155   1HG2  THR  18          HG23      THR  18  -5.291   2.269   3.399
  156   2HG2  THR  18          HG22      THR  18  -5.652   3.992   3.396
  157   3HG2  THR  18          HG21      THR  18  -4.060   3.422   2.905
  158    H    GLU  19           HN       GLU  19  -7.042   4.343   6.472
  159    HA   GLU  19           HA       GLU  19  -9.302   2.826   5.331
  160   1HB   GLU  19           HB2      GLU  19  -8.976   4.877   7.309
  161   2HB   GLU  19           HB1      GLU  19 -10.108   5.439   6.084
  162   1HG   GLU  19           HG2      GLU  19 -11.434   3.384   6.332
  163   2HG   GLU  19           HG1      GLU  19 -10.274   2.755   7.500
  164    H    ALA  20           HN       ALA  20 -10.168   3.190   3.376
  165    HA   ALA  20           HA       ALA  20  -9.546   5.739   1.965
  166   1HB   ALA  20           HB3      ALA  20  -8.386   3.192   1.356
  167   2HB   ALA  20           HB2      ALA  20  -9.466   3.642   0.039
  168   3HB   ALA  20           HB1      ALA  20  -8.159   4.722   0.514
  169    H    VAL  21           HN       VAL  21 -11.268   6.537   0.887
  170    HA   VAL  21           HA       VAL  21 -13.815   5.133   1.076
  171    HB   VAL  21           HB       VAL  21 -13.617   7.603   1.298
  172   1HG1  VAL  21          HG12      VAL  21 -12.024   7.352  -0.984
  173   2HG1  VAL  21          HG11      VAL  21 -13.497   8.108  -1.580
  174   3HG1  VAL  21          HG13      VAL  21 -12.584   8.864  -0.279
  175   1HG2  VAL  21          HG22      VAL  21 -15.764   6.546   0.614
  176   2HG2  VAL  21          HG21      VAL  21 -15.568   8.139  -0.109
  177   3HG2  VAL  21          HG23      VAL  21 -15.288   6.694  -1.074
  178    H    ASP  22           HN       ASP  22 -11.326   5.428  -1.291
  179    HA   ASP  22           HA       ASP  22 -12.851   3.643  -3.088
  180   1HB   ASP  22           HB2      ASP  22 -12.296   5.122  -5.069
  181   2HB   ASP  22           HB1      ASP  22 -13.508   5.785  -3.974
  182    H    ALA  23           HN       ALA  23 -11.549   2.332  -4.319
  183    HA   ALA  23           HA       ALA  23  -8.965   1.698  -3.481
  184   1HB   ALA  23           HB2      ALA  23 -10.540   1.208  -5.946
  185   2HB   ALA  23           HB1      ALA  23  -8.800   0.976  -6.087
  186   3HB   ALA  23           HB3      ALA  23  -9.717   0.061  -4.893
  187    H    ALA  24           HN       ALA  24  -9.981   4.302  -5.512
  188    HA   ALA  24           HA       ALA  24  -7.464   4.835  -6.798
  189   1HB   ALA  24           HB3      ALA  24  -9.900   6.512  -6.210
  190   2HB   ALA  24           HB2      ALA  24  -8.480   7.201  -6.992
  191   3HB   ALA  24           HB1      ALA  24  -9.356   5.880  -7.761
  192    H    THR  25           HN       THR  25  -9.022   6.640  -4.144
  193    HA   THR  25           HA       THR  25  -6.729   8.133  -3.425
  194    HB   THR  25           HB       THR  25  -9.214   8.356  -2.572
  195    HG1  THR  25           HG1      THR  25  -7.658   8.793  -0.432
  196   1HG2  THR  25          HG23      THR  25  -8.873   5.989  -1.380
  197   2HG2  THR  25          HG22      THR  25  -8.036   6.964  -0.177
  198   3HG2  THR  25          HG21      THR  25  -9.729   7.278  -0.543
  199    H    ALA  26           HN       ALA  26  -7.472   4.811  -2.901
  200    HA   ALA  26           HA       ALA  26  -5.751   4.415  -0.607
  201   1HB   ALA  26           HB3      ALA  26  -7.552   2.818  -1.263
  202   2HB   ALA  26           HB2      ALA  26  -6.608   2.388  -2.687
  203   3HB   ALA  26           HB1      ALA  26  -5.984   2.036  -1.077
  204    H    GLU  27           HN       GLU  27  -5.315   4.360  -4.082
  205    HA   GLU  27           HA       GLU  27  -2.691   3.202  -4.104
  206   1HB   GLU  27           HB2      GLU  27  -4.315   4.846  -6.012
  207   2HB   GLU  27           HB1      GLU  27  -2.598   4.649  -6.328
  208   1HG   GLU  27           HG2      GLU  27  -2.886   2.167  -6.173
  209   2HG   GLU  27           HG1      GLU  27  -4.617   2.415  -5.963
  210    H    LYS  28           HN       LYS  28  -3.812   6.571  -4.109
  211    HA   LYS  28           HA       LYS  28  -1.089   7.614  -3.976
  212   1HB   LYS  28           HB2      LYS  28  -3.755   8.976  -3.548
  213   2HB   LYS  28           HB1      LYS  28  -2.209   9.804  -3.667
  214   1HG   LYS  28           HG2      LYS  28  -2.369   9.780  -5.921
  215   2HG   LYS  28           HG1      LYS  28  -2.374   8.023  -5.891
  216   1HD   LYS  28           HD2      LYS  28  -4.397   8.660  -7.000
  217   2HD   LYS  28           HD1      LYS  28  -4.882   8.161  -5.386
  218   1HE   LYS  28           HE2      LYS  28  -4.943  10.853  -6.637
  219   2HE   LYS  28           HE1      LYS  28  -5.980  10.178  -5.391
  220   1HZ   LYS  28           HZ3      LYS  28  -3.183  10.938  -4.830
  221   2HZ   LYS  28           HZ2      LYS  28  -4.452  12.061  -4.737
  222   3HZ   LYS  28           HZ1      LYS  28  -4.455  10.692  -3.732
  223    H    VAL  29           HN       VAL  29  -3.666   6.971  -1.658
  224    HA   VAL  29           HA       VAL  29  -2.527   8.390   0.548
  225    HB   VAL  29           HB       VAL  29  -4.389   6.031   0.369
  226   1HG1  VAL  29          HG11      VAL  29  -3.105   7.284   2.800
  227   2HG1  VAL  29          HG13      VAL  29  -4.690   6.526   2.902
  228   3HG1  VAL  29          HG12      VAL  29  -3.290   5.575   2.422
  229   1HG2  VAL  29          HG21      VAL  29  -4.960   8.557  -0.106
  230   2HG2  VAL  29          HG23      VAL  29  -6.052   7.604   0.894
  231   3HG2  VAL  29          HG22      VAL  29  -4.905   8.706   1.647
  232    H    PHE  30           HN       PHE  30  -2.474   4.869  -0.027
  233    HA   PHE  30           HA       PHE  30  -0.526   4.266   1.926
  234   1HB   PHE  30           HB2      PHE  30  -1.422   2.940  -0.608
  235   2HB   PHE  30           HB1      PHE  30   0.044   2.348   0.161
  236    HD1  PHE  30           HD1      PHE  30  -0.289   2.208   2.919
  237    HD2  PHE  30           HD2      PHE  30  -3.348   1.755  -0.017
  238    HE1  PHE  30           HE1      PHE  30  -1.667   0.959   4.530
  239    HE2  PHE  30           HE2      PHE  30  -4.687   0.484   1.593
  240    HZ   PHE  30           HZ       PHE  30  -3.844   0.051   3.853
  241    H    LYS  31           HN       LYS  31  -0.183   5.475  -1.342
  242    HA   LYS  31           HA       LYS  31   2.651   5.078  -1.575
  243   1HB   LYS  31           HB2      LYS  31   1.181   5.585  -3.505
  244   2HB   LYS  31           HB1      LYS  31   0.920   7.203  -2.860
  245   1HG   LYS  31           HG2      LYS  31   3.750   6.660  -2.934
  246   2HG   LYS  31           HG1      LYS  31   3.054   6.332  -4.516
  247   1HD   LYS  31           HD2      LYS  31   1.992   8.557  -4.527
  248   2HD   LYS  31           HD1      LYS  31   2.643   8.886  -2.925
  249   1HE   LYS  31           HE2      LYS  31   4.277   8.336  -5.424
  250   2HE   LYS  31           HE1      LYS  31   4.067   9.907  -4.661
  251   1HZ   LYS  31           HZ3      LYS  31   4.967   8.664  -2.590
  252   2HZ   LYS  31           HZ2      LYS  31   5.602   7.584  -3.737
  253   3HZ   LYS  31           HZ1      LYS  31   6.043   9.224  -3.780
  254    H    GLN  32           HN       GLN  32   0.701   7.822  -0.465
  255    HA   GLN  32           HA       GLN  32   2.791   9.652   0.030
  256   1HB   GLN  32           HB2      GLN  32   0.340  10.146   0.241
  257   2HB   GLN  32           HB1      GLN  32   0.333   9.248   1.755
  258   1HG   GLN  32           HG2      GLN  32   2.521  11.070   1.881
  259   2HG   GLN  32           HG1      GLN  32   1.124  11.978   1.309
  260   1HE2  GLN  32          HE22      GLN  32  -0.808  11.047   4.310
  261   2HE2  GLN  32          HE21      GLN  32  -1.014  10.991   2.626
  262    OH   TYR  33           OH       TYR  33   4.838   3.324   8.533
  263    H    TYR  33           HN       TYR  33   1.848   6.780   1.713
  264    HA   TYR  33           HA       TYR  33   3.402   7.370   4.116
  265   1HB   TYR  33           HB2      TYR  33   1.387   5.899   4.163
  266   2HB   TYR  33           HB1      TYR  33   2.252   4.736   3.164
  267    HD1  TYR  33           HD1      TYR  33   4.291   3.609   4.050
  268    HD2  TYR  33           HD2      TYR  33   1.900   6.116   6.515
  269    HE1  TYR  33           HE1      TYR  33   5.359   2.667   6.041
  270    HE2  TYR  33           HE2      TYR  33   2.968   5.171   8.511
  271    HH   TYR  33           HH       TYR  33   5.721   3.695   8.599
  272    H    ALA  34           HN       ALA  34   3.657   4.718   1.770
  273    HA   ALA  34           HA       ALA  34   6.193   3.789   2.342
  274   1HB   ALA  34           HB2      ALA  34   4.457   3.767   0.024
  275   2HB   ALA  34           HB1      ALA  34   6.146   3.866  -0.466
  276   3HB   ALA  34           HB3      ALA  34   5.602   2.544   0.560
  277    H    ASN  35           HN       ASN  35   5.357   6.821   0.888
  278    HA   ASN  35           HA       ASN  35   7.947   7.433  -0.224
  279   1HB   ASN  35           HB2      ASN  35   5.785   8.607  -0.795
  280   2HB   ASN  35           HB1      ASN  35   5.878   9.407   0.772
  281   1HD2  ASN  35          HD22      ASN  35   8.568  11.548  -0.175
  282   2HD2  ASN  35          HD21      ASN  35   7.742  10.868   1.142
  283    H    ASP  36           HN       ASP  36   6.354   8.473   2.783
  284    HA   ASP  36           HA       ASP  36   8.549   9.900   3.865
  285   1HB   ASP  36           HB2      ASP  36   6.349   8.348   5.253
  286   2HB   ASP  36           HB1      ASP  36   7.465   9.428   6.087
  287    H    ASN  37           HN       ASN  37   8.302   6.637   3.170
  288    HA   ASN  37           HA       ASN  37  10.383   5.905   5.193
  289   1HB   ASN  37           HB2      ASN  37   8.184   4.398   3.859
  290   2HB   ASN  37           HB1      ASN  37   9.657   3.518   4.253
  291   1HD2  ASN  37          HD22      ASN  37   7.209   4.833   7.250
  292   2HD2  ASN  37          HD21      ASN  37   6.956   5.344   5.651
  293    H    GLY  38           HN       GLY  38   9.591   5.951   1.783
  294   1HA   GLY  38           HA2      GLY  38  11.327   6.246   0.099
  295   2HA   GLY  38           HA1      GLY  38  12.463   5.445   1.178
  296    H    VAL  39           HN       VAL  39   9.374   4.740  -0.462
  297    HA   VAL  39           HA       VAL  39  10.572   2.224  -1.485
  298    HB   VAL  39           HB       VAL  39   7.911   2.278  -0.039
  299   1HG1  VAL  39          HG11      VAL  39   9.594   0.093  -1.304
  300   2HG1  VAL  39          HG13      VAL  39   8.263  -0.241  -0.199
  301   3HG1  VAL  39          HG12      VAL  39   7.953   0.561  -1.736
  302   1HG2  VAL  39          HG21      VAL  39  10.662   1.325   0.821
  303   2HG2  VAL  39          HG23      VAL  39   9.677   2.562   1.597
  304   3HG2  VAL  39          HG22      VAL  39   9.175   0.876   1.651
  305    H    ASP  40           HN       ASP  40  10.436   3.743  -3.379
  306    HA   ASP  40           HA       ASP  40   7.679   3.829  -4.541
  307   1HB   ASP  40           HB2      ASP  40  10.074   5.351  -5.561
  308   2HB   ASP  40           HB1      ASP  40   8.369   5.683  -5.849
  309    H    GLY  41           HN       GLY  41   7.249   2.352  -6.041
  310   1HA   GLY  41           HA2      GLY  41   9.078   1.774  -8.209
  311   2HA   GLY  41           HA1      GLY  41   9.009   0.438  -7.063
  312    H    GLU  42           HN       GLU  42   7.598  -1.086  -7.619
  313    HA   GLU  42           HA       GLU  42   5.384  -0.415  -9.471
  314   1HB   GLU  42           HB2      GLU  42   6.315  -3.073  -8.377
  315   2HB   GLU  42           HB1      GLU  42   5.081  -2.863  -9.610
  316   1HG   GLU  42           HG2      GLU  42   7.762  -1.581 -10.042
  317   2HG   GLU  42           HG1      GLU  42   7.608  -3.316 -10.304
  318    CH2  TRP  43           CH2      TRP  43   2.004   2.516  -2.228
  319    H    TRP  43           HN       TRP  43   3.200  -0.910  -8.989
  320    HA   TRP  43           HA       TRP  43   2.617  -1.326  -6.079
  321   1HB   TRP  43           HB2      TRP  43   1.597   0.764  -7.971
  322   2HB   TRP  43           HB1      TRP  43   0.617   0.260  -6.605
  323    HD1  TRP  43           HD1      TRP  43   4.202   1.501  -7.350
  324    HE1  TRP  43           HE1      TRP  43   4.939   2.820  -5.307
  325    HE3  TRP  43           HE3      TRP  43   0.250   0.698  -4.437
  326    HZ2  TRP  43           HZ2      TRP  43   3.917   3.389  -2.583
  327    HZ3  TRP  43           HZ3      TRP  43   0.110   1.538  -2.147
  328    HH2  TRP  43           HH2      TRP  43   1.940   2.883  -1.214
  329    H    THR  44           HN       THR  44   1.067  -2.761  -5.621
  330    HA   THR  44           HA       THR  44  -0.580  -3.816  -7.896
  331    HB   THR  44           HB       THR  44  -0.440  -6.046  -6.518
  332    HG1  THR  44           HG1      THR  44   1.934  -4.771  -5.681
  333   1HG2  THR  44          HG23      THR  44   0.860  -5.530  -8.689
  334   2HG2  THR  44          HG22      THR  44   2.180  -5.008  -7.649
  335   3HG2  THR  44          HG21      THR  44   1.628  -6.678  -7.599
  336    OH   TYR  45           OH       TYR  45  -9.034  -1.455  -2.984
  337    H    TYR  45           HN       TYR  45  -2.525  -5.021  -7.131
  338    HA   TYR  45           HA       TYR  45  -3.665  -3.978  -4.582
  339   1HB   TYR  45           HB2      TYR  45  -4.260  -2.565  -6.683
  340   2HB   TYR  45           HB1      TYR  45  -5.247  -3.945  -7.165
  341    HD1  TYR  45           HD1      TYR  45  -6.675  -4.839  -4.803
  342    HD2  TYR  45           HD2      TYR  45  -5.569  -0.868  -5.822
  343    HE1  TYR  45           HE1      TYR  45  -8.441  -3.982  -3.360
  344    HE2  TYR  45           HE2      TYR  45  -7.372  -0.008  -4.410
  345    HH   TYR  45           HH       TYR  45  -8.758  -0.602  -2.640
  346    H    ASP  46           HN       ASP  46  -4.578  -5.626  -3.488
  347    HA   ASP  46           HA       ASP  46  -5.210  -8.138  -4.977
  348   1HB   ASP  46           HB2      ASP  46  -3.616  -8.045  -2.921
  349   2HB   ASP  46           HB1      ASP  46  -5.096  -7.902  -1.977
  350    H    ASP  47           HN       ASP  47  -7.200  -6.876  -5.682
  351    HA   ASP  47           HA       ASP  47  -9.265  -6.206  -3.821
  352   1HB   ASP  47           HB2      ASP  47  -9.164  -5.495  -6.235
  353   2HB   ASP  47           HB1      ASP  47  -9.645  -7.132  -6.679
  354    H    ALA  48           HN       ALA  48  -7.964  -9.175  -4.512
  355    HA   ALA  48           HA       ALA  48 -10.430 -10.748  -4.367
  356   1HB   ALA  48           HB3      ALA  48  -7.760 -11.234  -5.135
  357   2HB   ALA  48           HB2      ALA  48  -8.050 -12.259  -3.732
  358   3HB   ALA  48           HB1      ALA  48  -9.094 -12.384  -5.146
  359    H    THR  49           HN       THR  49  -8.290  -9.277  -2.148
  360    HA   THR  49           HA       THR  49  -9.776 -10.532   0.090
  361    HB   THR  49           HB       THR  49  -7.598 -10.982   1.312
  362    HG1  THR  49           HG1      THR  49  -6.698  -9.402  -0.432
  363   1HG2  THR  49          HG21      THR  49  -8.768 -12.704  -0.328
  364   2HG2  THR  49          HG23      THR  49  -7.416 -12.319  -1.387
  365   3HG2  THR  49          HG22      THR  49  -7.118 -13.016   0.203
  366    H    LYS  50           HN       LYS  50  -9.055  -7.814  -1.350
  367    HA   LYS  50           HA       LYS  50  -8.882  -5.572  -0.660
  368   1HB   LYS  50           HB2      LYS  50  -9.683  -6.571   2.077
  369   2HB   LYS  50           HB1      LYS  50  -9.996  -4.993   1.368
  370   1HG   LYS  50           HG2      LYS  50 -11.108  -6.779  -0.474
  371   2HG   LYS  50           HG1      LYS  50 -11.510  -7.485   1.087
  372   1HD   LYS  50           HD2      LYS  50 -13.294  -5.974   0.606
  373   2HD   LYS  50           HD1      LYS  50 -12.287  -5.128   1.774
  374   1HE   LYS  50           HE2      LYS  50 -12.283  -3.437   0.245
  375   2HE   LYS  50           HE1      LYS  50 -11.104  -4.421  -0.613
  376   1HZ   LYS  50           HZ1      LYS  50 -13.063  -5.512  -1.713
  377   2HZ   LYS  50           HZ3      LYS  50 -14.018  -4.261  -1.076
  378   3HZ   LYS  50           HZ2      LYS  50 -12.760  -3.902  -2.158
  379    H    THR  51           HN       THR  51  -6.504  -6.447  -0.889
  380    HA   THR  51           HA       THR  51  -5.061  -5.475   1.524
  381    HB   THR  51           HB       THR  51  -4.903  -8.243   0.352
  382    HG1  THR  51           HG1      THR  51  -5.653  -7.098   2.518
  383   1HG2  THR  51          HG22      THR  51  -2.577  -6.607   1.363
  384   2HG2  THR  51          HG21      THR  51  -2.661  -8.321   1.722
  385   3HG2  THR  51          HG23      THR  51  -2.594  -7.770   0.051
  386    H    PHE  52           HN       PHE  52  -3.758  -3.862   0.797
  387    HA   PHE  52           HA       PHE  52  -3.087  -3.677  -2.035
  388   1HB   PHE  52           HB2      PHE  52  -3.057  -1.929   0.272
  389   2HB   PHE  52           HB1      PHE  52  -1.569  -1.797  -0.654
  390    HD1  PHE  52           HD1      PHE  52  -1.651  -1.138  -3.069
  391    HD2  PHE  52           HD2      PHE  52  -5.161  -1.272  -0.694
  392    HE1  PHE  52           HE1      PHE  52  -2.881   0.130  -4.787
  393    HE2  PHE  52           HE2      PHE  52  -6.343   0.094  -2.325
  394    HZ   PHE  52           HZ       PHE  52  -5.193   0.844  -4.352
  395    H    THR  53           HN       THR  53  -0.784  -3.333  -2.695
  396    HA   THR  53           HA       THR  53   1.285  -4.411  -0.938
  397    HB   THR  53           HB       THR  53   0.375  -5.996  -3.368
  398    HG1  THR  53           HG1      THR  53  -0.089  -7.462  -1.731
  399   1HG2  THR  53          HG22      THR  53   2.928  -5.898  -1.867
  400   2HG2  THR  53          HG21      THR  53   2.203  -7.500  -1.945
  401   3HG2  THR  53          HG23      THR  53   2.592  -6.637  -3.429
  402    H    VAL  54           HN       VAL  54   3.231  -3.606  -1.488
  403    HA   VAL  54           HA       VAL  54   3.574  -2.529  -4.258
  404    HB   VAL  54           HB       VAL  54   2.997  -0.707  -2.586
  405   1HG1  VAL  54          HG13      VAL  54   4.292  -1.862  -0.726
  406   2HG1  VAL  54          HG12      VAL  54   5.764  -1.277  -1.496
  407   3HG1  VAL  54          HG11      VAL  54   4.576  -0.134  -0.881
  408   1HG2  VAL  54          HG21      VAL  54   5.703  -0.716  -3.951
  409   2HG2  VAL  54          HG23      VAL  54   4.192  -0.069  -4.570
  410   3HG2  VAL  54          HG22      VAL  54   4.998   0.724  -3.227
  411    H    THR  55           HN       THR  55   5.752  -2.544  -4.980
  412    HA   THR  55           HA       THR  55   7.721  -3.890  -3.200
  413    HB   THR  55           HB       THR  55   7.190  -4.862  -6.036
  414    HG1  THR  55           HG1      THR  55   5.976  -6.424  -4.989
  415   1HG2  THR  55          HG21      THR  55   9.202  -5.437  -4.017
  416   2HG2  THR  55          HG23      THR  55   8.181  -6.851  -4.266
  417   3HG2  THR  55          HG22      THR  55   9.039  -6.133  -5.621
  418    H    GLU  56           HN       GLU  56   9.460  -2.607  -3.202
  419    HA   GLU  56           HA       GLU  56   9.976  -0.550  -5.097
  420   1HB   GLU  56           HB2      GLU  56  11.055  -1.307  -2.683
  421   2HB   GLU  56           HB1      GLU  56  12.366  -1.666  -3.798
  422   1HG   GLU  56           HG2      GLU  56  12.035   0.658  -4.771
  423   2HG   GLU  56           HG1      GLU  56  10.932   0.982  -3.436
   
  Start of MODEL          21
 Raw file had 423 H/Q atoms
  Entry Start of MODEL   21
    1   1H    MET   1           HT3      MET   1 -13.646  -1.301   5.065
    2   2H    MET   1           HT2      MET   1 -14.806  -0.074   4.882
    3   3H    MET   1           HT1      MET   1 -15.068  -1.601   4.186
    4    HA   MET   1           HA       MET   1 -13.722  -1.220   2.438
    5   1HB   MET   1           HB2      MET   1 -15.400   0.817   2.902
    6   2HB   MET   1           HB1      MET   1 -13.882   1.701   3.014
    7   1HG   MET   1           HG2      MET   1 -14.668   1.742   0.721
    8   2HG   MET   1           HG1      MET   1 -13.198   0.810   0.828
    9   1HE   MET   1           HE3      MET   1 -16.854   1.022   0.069
   10   2HE   MET   1           HE2      MET   1 -15.814   1.120  -1.352
   11   3HE   MET   1           HE1      MET   1 -16.968  -0.205  -1.193
   12    H    THR   2           HN       THR   2 -12.035  -1.820   4.494
   13    HA   THR   2           HA       THR   2  -9.822   0.185   4.259
   14    HB   THR   2           HB       THR   2  -9.760  -2.005   6.319
   15    HG1  THR   2           HG1      THR   2 -11.869  -1.154   6.370
   16   1HG2  THR   2          HG21      THR   2  -8.050  -0.004   5.931
   17   2HG2  THR   2          HG23      THR   2  -9.297   0.941   6.736
   18   3HG2  THR   2          HG22      THR   2  -8.547  -0.417   7.568
   19    OH   TYR   3           OH       TYR   3 -11.657   0.292  -0.886
   20    H    TYR   3           HN       TYR   3  -7.781  -0.499   3.624
   21    HA   TYR   3           HA       TYR   3  -7.586  -3.340   2.673
   22   1HB   TYR   3           HB2      TYR   3  -6.114  -1.083   1.343
   23   2HB   TYR   3           HB1      TYR   3  -6.519  -2.663   0.693
   24    HD1  TYR   3           HD1      TYR   3  -7.869   0.664   1.561
   25    HD2  TYR   3           HD2      TYR   3  -8.716  -3.089  -0.247
   26    HE1  TYR   3           HE1      TYR   3  -9.935   1.584   0.615
   27    HE2  TYR   3           HE2      TYR   3 -10.780  -2.166  -1.197
   28    HH   TYR   3           HH       TYR   3 -11.689   0.056  -1.816
   29    H    LYS   4           HN       LYS   4  -5.555  -4.325   2.859
   30    HA   LYS   4           HA       LYS   4  -3.785  -3.043   4.888
   31   1HB   LYS   4           HB2      LYS   4  -4.904  -5.456   5.032
   32   2HB   LYS   4           HB1      LYS   4  -3.516  -5.907   4.060
   33   1HG   LYS   4           HG2      LYS   4  -2.256  -4.416   5.943
   34   2HG   LYS   4           HG1      LYS   4  -3.618  -4.997   6.894
   35   1HD   LYS   4           HD2      LYS   4  -1.731  -6.759   5.287
   36   2HD   LYS   4           HD1      LYS   4  -1.678  -6.546   7.033
   37   1HE   LYS   4           HE2      LYS   4  -4.086  -7.352   7.108
   38   2HE   LYS   4           HE1      LYS   4  -3.930  -7.769   5.407
   39   1HZ   LYS   4           HZ3      LYS   4  -1.761  -8.778   6.959
   40   2HZ   LYS   4           HZ2      LYS   4  -3.259  -9.345   7.525
   41   3HZ   LYS   4           HZ1      LYS   4  -2.812  -9.597   5.906
   42    H    LEU   5           HN       LEU   5  -1.931  -2.182   4.160
   43    HA   LEU   5           HA       LEU   5  -0.961  -2.907   1.479
   44   1HB   LEU   5           HB2      LEU   5  -0.873  -0.560   1.998
   45   2HB   LEU   5           HB1      LEU   5  -0.095  -0.859   3.542
   46    HG   LEU   5           HG       LEU   5   1.944  -1.718   2.251
   47   1HD1  LEU   5          HD13      LEU   5   0.421  -0.518  -0.082
   48   2HD1  LEU   5          HD12      LEU   5   2.082  -1.084  -0.133
   49   3HD1  LEU   5          HD11      LEU   5   0.776  -2.231   0.120
   50   1HD2  LEU   5          HD21      LEU   5   1.617   0.663   3.129
   51   2HD2  LEU   5          HD23      LEU   5   2.794   0.462   1.837
   52   3HD2  LEU   5          HD22      LEU   5   1.196   1.098   1.477
   53    H    ILE   6           HN       ILE   6   1.095  -3.772   1.062
   54    HA   ILE   6           HA       ILE   6   2.555  -4.932   3.349
   55    HB   ILE   6           HB       ILE   6   1.758  -6.273   0.770
   56   1HG1  ILE   6          HG12      ILE   6   1.556  -7.399   3.546
   57   2HG1  ILE   6          HG11      ILE   6   0.372  -6.215   3.022
   58   1HG2  ILE   6          HG23      ILE   6   4.077  -6.746   2.584
   59   2HG2  ILE   6          HG22      ILE   6   3.192  -8.170   2.054
   60   3HG2  ILE   6          HG21      ILE   6   3.911  -7.092   0.865
   61   1HD1  ILE   6           HD2      ILE   6  -0.134  -7.627   1.034
   62   2HD1  ILE   6           HD1      ILE   6   1.014  -8.829   1.608
   63   3HD1  ILE   6           HD3      ILE   6  -0.439  -8.489   2.538
   64    H    LEU   7           HN       LEU   7   4.352  -3.709   3.367
   65    HA   LEU   7           HA       LEU   7   5.558  -2.717   0.903
   66   1HB   LEU   7           HB2      LEU   7   6.328  -2.553   3.806
   67   2HB   LEU   7           HB1      LEU   7   7.358  -1.914   2.533
   68    HG   LEU   7           HG       LEU   7   4.539  -1.109   2.262
   69   1HD1  LEU   7          HD12      LEU   7   6.159  -0.226   4.676
   70   2HD1  LEU   7          HD11      LEU   7   4.660   0.528   4.141
   71   3HD1  LEU   7          HD13      LEU   7   4.652  -1.135   4.718
   72   1HD2  LEU   7          HD23      LEU   7   6.517  -0.189   1.001
   73   2HD2  LEU   7          HD22      LEU   7   5.585   1.051   1.831
   74   3HD2  LEU   7          HD21      LEU   7   7.109   0.492   2.513
   75    H    ASN   8           HN       ASN   8   6.787  -3.916  -0.369
   76    HA   ASN   8           HA       ASN   8   8.352  -6.146   0.852
   77   1HB   ASN   8           HB2      ASN   8   6.765  -5.861  -1.554
   78   2HB   ASN   8           HB1      ASN   8   8.394  -6.360  -1.964
   79   1HD2  ASN   8          HD22      ASN   8   5.984  -9.161  -0.814
   80   2HD2  ASN   8          HD21      ASN   8   5.606  -7.758  -1.680
   81    H    GLY   9           HN       GLY   9   9.276  -3.500   1.099
   82   1HA   GLY   9           HA2      GLY   9  11.018  -2.544  -0.872
   83   2HA   GLY   9           HA1      GLY   9  11.311  -2.339   0.848
   84    H    LYS  10           HN       LYS  10  13.121  -2.957  -1.460
   85    HA   LYS  10           HA       LYS  10  14.014  -5.656  -1.344
   86   1HB   LYS  10           HB2      LYS  10  15.029  -3.107  -2.368
   87   2HB   LYS  10           HB1      LYS  10  16.310  -4.188  -1.835
   88   1HG   LYS  10           HG2      LYS  10  14.046  -5.115  -3.625
   89   2HG   LYS  10           HG1      LYS  10  15.548  -4.462  -4.270
   90   1HD   LYS  10           HD2      LYS  10  16.677  -6.379  -3.836
   91   2HD   LYS  10           HD1      LYS  10  16.027  -6.479  -2.204
   92   1HE   LYS  10           HE2      LYS  10  13.992  -7.508  -2.995
   93   2HE   LYS  10           HE1      LYS  10  14.422  -7.198  -4.671
   94   1HZ   LYS  10           HZ3      LYS  10  16.348  -8.728  -3.135
   95   2HZ   LYS  10           HZ2      LYS  10  14.868  -9.504  -3.441
   96   3HZ   LYS  10           HZ1      LYS  10  15.813  -8.938  -4.733
   97    H    THR  11           HN       THR  11  15.178  -2.788   0.396
   98    HA   THR  11           HA       THR  11  16.675  -4.576   2.244
   99    HB   THR  11           HB       THR  11  17.468  -2.126   3.025
  100    HG1  THR  11           HG1      THR  11  17.068  -0.678   1.455
  101   1HG2  THR  11          HG23      THR  11  18.293  -3.827   0.699
  102   2HG2  THR  11          HG22      THR  11  18.941  -2.192   0.767
  103   3HG2  THR  11          HG21      THR  11  19.248  -3.316   2.087
  104    H    LEU  12           HN       LEU  12  13.662  -3.367   2.054
  105    HA   LEU  12           HA       LEU  12  13.385  -3.393   5.003
  106   1HB   LEU  12           HB2      LEU  12  13.785  -0.991   4.113
  107   2HB   LEU  12           HB1      LEU  12  12.152  -1.113   3.472
  108    HG   LEU  12           HG       LEU  12  11.775  -2.039   6.022
  109   1HD1  LEU  12          HD11      LEU  12  14.219  -1.433   6.462
  110   2HD1  LEU  12          HD13      LEU  12  13.748   0.251   6.258
  111   3HD1  LEU  12          HD12      LEU  12  13.054  -0.705   7.563
  112   1HD2  LEU  12          HD22      LEU  12  11.669   0.775   4.902
  113   2HD2  LEU  12          HD21      LEU  12  10.347  -0.382   5.032
  114   3HD2  LEU  12          HD23      LEU  12  11.015   0.358   6.484
  115    H    LYS  13           HN       LYS  13  11.248  -3.760   5.720
  116    HA   LYS  13           HA       LYS  13   9.170  -4.234   3.671
  117   1HB   LYS  13           HB2      LYS  13  10.070  -6.389   5.598
  118   2HB   LYS  13           HB1      LYS  13   8.731  -6.518   4.467
  119   1HG   LYS  13           HG2      LYS  13  10.408  -6.031   2.609
  120   2HG   LYS  13           HG1      LYS  13  11.676  -6.234   3.813
  121   1HD   LYS  13           HD2      LYS  13  10.678  -8.505   4.344
  122   2HD   LYS  13           HD1      LYS  13   9.628  -8.295   2.948
  123   1HE   LYS  13           HE2      LYS  13  11.579  -8.073   1.476
  124   2HE   LYS  13           HE1      LYS  13  12.661  -8.186   2.860
  125   1HZ   LYS  13           HZ3      LYS  13  10.723 -10.320   2.219
  126   2HZ   LYS  13           HZ2      LYS  13  12.273 -10.278   1.527
  127   3HZ   LYS  13           HZ1      LYS  13  12.098 -10.405   3.211
  128    H    GLY  14           HN       GLY  14   7.068  -4.162   4.515
  129   1HA   GLY  14           HA2      GLY  14   6.581  -4.085   7.379
  130   2HA   GLY  14           HA1      GLY  14   6.532  -2.479   6.658
  131    H    GLU  15           HN       GLU  15   4.261  -2.626   7.458
  132    HA   GLU  15           HA       GLU  15   2.462  -3.115   5.299
  133   1HB   GLU  15           HB2      GLU  15   1.161  -4.963   6.598
  134   2HB   GLU  15           HB1      GLU  15   2.571  -5.431   5.653
  135   1HG   GLU  15           HG2      GLU  15   3.850  -5.854   7.526
  136   2HG   GLU  15           HG1      GLU  15   3.075  -4.583   8.468
  137    H    THR  16           HN       THR  16   0.775  -1.794   5.624
  138    HA   THR  16           HA       THR  16  -0.189  -1.328   8.392
  139    HB   THR  16           HB       THR  16   1.283   0.550   8.246
  140    HG1  THR  16           HG1      THR  16  -0.457   1.655   8.730
  141   1HG2  THR  16          HG22      THR  16   0.508   0.460   5.360
  142   2HG2  THR  16          HG21      THR  16   0.784   2.051   6.054
  143   3HG2  THR  16          HG23      THR  16   2.068   0.847   6.073
  144    H    THR  17           HN       THR  17  -2.316  -0.390   8.471
  145    HA   THR  17           HA       THR  17  -3.852  -0.854   5.940
  146    HB   THR  17           HB       THR  17  -5.657  -1.689   7.256
  147    HG1  THR  17           HG1      THR  17  -5.863  -1.011   9.360
  148   1HG2  THR  17          HG23      THR  17  -3.189  -2.844   7.690
  149   2HG2  THR  17          HG22      THR  17  -3.662  -2.409   9.328
  150   3HG2  THR  17          HG21      THR  17  -4.691  -3.466   8.364
  151    H    THR  18           HN       THR  18  -5.076   0.755   5.139
  152    HA   THR  18           HA       THR  18  -5.530   3.174   6.845
  153    HB   THR  18           HB       THR  18  -3.660   3.364   4.996
  154    HG1  THR  18           HG1      THR  18  -5.844   5.167   4.904
  155   1HG2  THR  18          HG23      THR  18  -5.496   2.435   3.273
  156   2HG2  THR  18          HG22      THR  18  -6.016   4.115   3.291
  157   3HG2  THR  18          HG21      THR  18  -4.379   3.706   2.790
  158    H    GLU  19           HN       GLU  19  -7.445   4.329   6.417
  159    HA   GLU  19           HA       GLU  19  -9.564   2.679   5.188
  160   1HB   GLU  19           HB2      GLU  19 -10.102   5.384   6.339
  161   2HB   GLU  19           HB1      GLU  19 -11.072   3.918   6.434
  162   1HG   GLU  19           HG2      GLU  19  -8.992   3.009   7.807
  163   2HG   GLU  19           HG1      GLU  19  -8.692   4.724   8.077
  164    H    ALA  20           HN       ALA  20 -10.364   3.027   3.214
  165    HA   ALA  20           HA       ALA  20 -10.072   5.724   1.987
  166   1HB   ALA  20           HB3      ALA  20  -8.576   3.379   1.245
  167   2HB   ALA  20           HB2      ALA  20  -9.630   3.850  -0.086
  168   3HB   ALA  20           HB1      ALA  20  -8.475   5.003   0.576
  169    H    VAL  21           HN       VAL  21 -11.706   6.259   0.547
  170    HA   VAL  21           HA       VAL  21 -14.124   4.611   0.732
  171    HB   VAL  21           HB       VAL  21 -14.029   7.181   0.790
  172   1HG1  VAL  21          HG13      VAL  21 -12.567   7.103  -1.381
  173   2HG1  VAL  21          HG12      VAL  21 -14.106   6.927  -2.213
  174   3HG1  VAL  21          HG11      VAL  21 -13.791   8.357  -1.236
  175   1HG2  VAL  21          HG22      VAL  21 -15.896   5.425  -0.744
  176   2HG2  VAL  21          HG21      VAL  21 -16.214   6.438   0.660
  177   3HG2  VAL  21          HG23      VAL  21 -16.096   7.164  -0.940
  178    H    ASP  22           HN       ASP  22 -11.696   5.400  -1.659
  179    HA   ASP  22           HA       ASP  22 -12.894   3.342  -3.460
  180   1HB   ASP  22           HB2      ASP  22 -12.454   4.731  -5.411
  181   2HB   ASP  22           HB1      ASP  22 -13.457   5.639  -4.283
  182    H    ALA  23           HN       ALA  23 -11.327   2.462  -5.009
  183    HA   ALA  23           HA       ALA  23  -8.843   1.806  -3.705
  184   1HB   ALA  23           HB1      ALA  23 -10.184   1.130  -6.256
  185   2HB   ALA  23           HB3      ALA  23  -8.428   0.992  -6.258
  186   3HB   ALA  23           HB2      ALA  23  -9.382   0.077  -5.094
  187    H    ALA  24           HN       ALA  24  -9.775   4.333  -5.858
  188    HA   ALA  24           HA       ALA  24  -7.185   4.879  -6.994
  189   1HB   ALA  24           HB3      ALA  24  -9.726   5.868  -7.378
  190   2HB   ALA  24           HB2      ALA  24  -8.916   7.217  -6.587
  191   3HB   ALA  24           HB1      ALA  24  -8.263   6.552  -8.079
  192    H    THR  25           HN       THR  25  -8.931   6.799  -4.545
  193    HA   THR  25           HA       THR  25  -6.690   8.292  -3.704
  194    HB   THR  25           HB       THR  25  -8.946   8.941  -2.972
  195    HG1  THR  25           HG1      THR  25  -7.867   8.155  -0.567
  196   1HG2  THR  25          HG21      THR  25  -9.542   6.360  -2.563
  197   2HG2  THR  25          HG23      THR  25  -8.925   6.717  -0.955
  198   3HG2  THR  25          HG22      THR  25 -10.296   7.616  -1.588
  199    H    ALA  26           HN       ALA  26  -7.579   5.009  -3.005
  200    HA   ALA  26           HA       ALA  26  -5.986   4.665  -0.635
  201   1HB   ALA  26           HB1      ALA  26  -7.712   3.027  -1.444
  202   2HB   ALA  26           HB3      ALA  26  -6.615   2.579  -2.746
  203   3HB   ALA  26           HB2      ALA  26  -6.163   2.276  -1.072
  204    H    GLU  27           HN       GLU  27  -5.303   4.312  -4.082
  205    HA   GLU  27           HA       GLU  27  -2.646   3.331  -3.867
  206   1HB   GLU  27           HB2      GLU  27  -4.029   5.029  -5.956
  207   2HB   GLU  27           HB1      GLU  27  -2.377   4.466  -6.147
  208   1HG   GLU  27           HG2      GLU  27  -3.245   2.108  -5.755
  209   2HG   GLU  27           HG1      GLU  27  -4.870   2.771  -5.863
  210    H    LYS  28           HN       LYS  28  -3.997   6.539  -3.607
  211    HA   LYS  28           HA       LYS  28  -1.377   7.856  -3.618
  212   1HB   LYS  28           HB2      LYS  28  -2.949   9.328  -4.440
  213   2HB   LYS  28           HB1      LYS  28  -4.230   8.692  -3.420
  214   1HG   LYS  28           HG2      LYS  28  -3.466   9.912  -1.514
  215   2HG   LYS  28           HG1      LYS  28  -1.908  10.260  -2.266
  216   1HD   LYS  28           HD2      LYS  28  -2.778  11.936  -3.603
  217   2HD   LYS  28           HD1      LYS  28  -4.367  11.184  -3.695
  218   1HE   LYS  28           HE2      LYS  28  -4.967  11.940  -1.515
  219   2HE   LYS  28           HE1      LYS  28  -3.303  12.343  -1.112
  220   1HZ   LYS  28           HZ1      LYS  28  -4.510  13.687  -3.407
  221   2HZ   LYS  28           HZ3      LYS  28  -5.019  14.161  -1.858
  222   3HZ   LYS  28           HZ2      LYS  28  -3.378  14.265  -2.282
  223    H    VAL  29           HN       VAL  29  -3.937   7.405  -1.189
  224    HA   VAL  29           HA       VAL  29  -2.663   8.532   1.022
  225    HB   VAL  29           HB       VAL  29  -4.477   6.122   0.850
  226   1HG1  VAL  29          HG11      VAL  29  -3.272   7.551   3.225
  227   2HG1  VAL  29          HG13      VAL  29  -4.818   6.717   3.353
  228   3HG1  VAL  29          HG12      VAL  29  -3.365   5.819   2.925
  229   1HG2  VAL  29          HG23      VAL  29  -5.107   8.640   0.279
  230   2HG2  VAL  29          HG22      VAL  29  -6.209   7.639   1.219
  231   3HG2  VAL  29          HG21      VAL  29  -5.159   8.796   2.032
  232    H    PHE  30           HN       PHE  30  -2.452   5.135  -0.039
  233    HA   PHE  30           HA       PHE  30  -0.533   4.409   1.969
  234   1HB   PHE  30           HB2      PHE  30  -1.488   3.191  -0.590
  235   2HB   PHE  30           HB1      PHE  30  -0.005   2.569   0.122
  236    HD1  PHE  30           HD1      PHE  30  -0.249   2.307   2.862
  237    HD2  PHE  30           HD2      PHE  30  -3.425   2.041   0.031
  238    HE1  PHE  30           HE1      PHE  30  -1.588   1.019   4.471
  239    HE2  PHE  30           HE2      PHE  30  -4.732   0.736   1.642
  240    HZ   PHE  30           HZ       PHE  30  -3.813   0.196   3.845
  241    H    LYS  31           HN       LYS  31  -0.164   5.401  -1.420
  242    HA   LYS  31           HA       LYS  31   2.632   5.121  -1.628
  243   1HB   LYS  31           HB2      LYS  31   1.170   5.717  -3.526
  244   2HB   LYS  31           HB1      LYS  31   0.916   7.313  -2.825
  245   1HG   LYS  31           HG2      LYS  31   3.336   7.782  -2.987
  246   2HG   LYS  31           HG1      LYS  31   3.616   6.171  -3.635
  247   1HD   LYS  31           HD2      LYS  31   3.462   7.370  -5.617
  248   2HD   LYS  31           HD1      LYS  31   1.768   6.951  -5.400
  249   1HE   LYS  31           HE2      LYS  31   1.990   9.351  -5.891
  250   2HE   LYS  31           HE1      LYS  31   1.388   9.120  -4.254
  251   1HZ   LYS  31           HZ2      LYS  31   4.279   9.341  -4.692
  252   2HZ   LYS  31           HZ1      LYS  31   3.330  10.749  -4.720
  253   3HZ   LYS  31           HZ3      LYS  31   3.356   9.770  -3.333
  254    H    GLN  32           HN       GLN  32   0.724   7.679  -0.158
  255    HA   GLN  32           HA       GLN  32   2.871   9.511   0.306
  256   1HB   GLN  32           HB2      GLN  32   0.523  10.174   0.571
  257   2HB   GLN  32           HB1      GLN  32   0.342   9.049   1.912
  258   1HG   GLN  32           HG2      GLN  32   2.596  10.980   2.129
  259   2HG   GLN  32           HG1      GLN  32   0.977  11.662   2.266
  260   1HE2  GLN  32          HE22      GLN  32   0.380  10.281   5.456
  261   2HE2  GLN  32          HE21      GLN  32  -0.221  11.215   4.172
  262    OH   TYR  33           OH       TYR  33   4.984   2.456   8.237
  263    H    TYR  33           HN       TYR  33   1.691   6.708   2.050
  264    HA   TYR  33           HA       TYR  33   3.315   7.100   4.405
  265   1HB   TYR  33           HB2      TYR  33   1.351   5.625   4.443
  266   2HB   TYR  33           HB1      TYR  33   2.108   4.569   3.257
  267    HD1  TYR  33           HD1      TYR  33   4.242   3.368   3.867
  268    HD2  TYR  33           HD2      TYR  33   1.940   5.467   6.762
  269    HE1  TYR  33           HE1      TYR  33   5.401   2.166   5.657
  270    HE2  TYR  33           HE2      TYR  33   3.099   4.262   8.556
  271    HH   TYR  33           HH       TYR  33   4.355   2.297   8.944
  272    H    ALA  34           HN       ALA  34   3.641   4.781   1.735
  273    HA   ALA  34           HA       ALA  34   6.163   3.748   2.330
  274   1HB   ALA  34           HB2      ALA  34   4.531   3.258   0.343
  275   2HB   ALA  34           HB1      ALA  34   5.488   4.466  -0.508
  276   3HB   ALA  34           HB3      ALA  34   6.258   3.009   0.112
  277    H    ASN  35           HN       ASN  35   5.348   6.846   0.914
  278    HA   ASN  35           HA       ASN  35   7.914   7.620  -0.020
  279   1HB   ASN  35           HB2      ASN  35   5.785   8.871  -0.433
  280   2HB   ASN  35           HB1      ASN  35   5.831   9.422   1.240
  281   1HD2  ASN  35          HD22      ASN  35   8.482  10.972  -1.476
  282   2HD2  ASN  35          HD21      ASN  35   7.629   9.552  -1.845
  283    H    ASP  36           HN       ASP  36   6.505   7.695   3.196
  284    HA   ASP  36           HA       ASP  36   8.655   9.219   4.397
  285   1HB   ASP  36           HB2      ASP  36   6.386   7.554   5.443
  286   2HB   ASP  36           HB1      ASP  36   7.653   8.091   6.542
  287    H    ASN  37           HN       ASN  37   9.016   6.514   2.855
  288    HA   ASN  37           HA       ASN  37  11.063   5.469   4.758
  289   1HB   ASN  37           HB2      ASN  37   8.925   3.897   3.324
  290   2HB   ASN  37           HB1      ASN  37  10.414   3.136   3.877
  291   1HD2  ASN  37          HD22      ASN  37   7.864   4.670   6.728
  292   2HD2  ASN  37          HD21      ASN  37   7.929   5.402   5.199
  293    H    GLY  38           HN       GLY  38   9.947   5.931   1.485
  294   1HA   GLY  38           HA2      GLY  38  11.534   6.487  -0.286
  295   2HA   GLY  38           HA1      GLY  38  12.742   5.507   0.539
  296    H    VAL  39           HN       VAL  39   9.741   4.009   0.575
  297    HA   VAL  39           HA       VAL  39  10.655   2.075  -1.467
  298    HB   VAL  39           HB       VAL  39   8.352   2.028   0.500
  299   1HG1  VAL  39          HG12      VAL  39   9.113   0.248  -1.785
  300   2HG1  VAL  39          HG11      VAL  39   8.541  -0.518  -0.306
  301   3HG1  VAL  39          HG13      VAL  39   7.514   0.634  -1.156
  302   1HG2  VAL  39          HG22      VAL  39  10.884   1.742   1.166
  303   2HG2  VAL  39          HG21      VAL  39   9.699   0.596   1.787
  304   3HG2  VAL  39          HG23      VAL  39  10.713   0.160   0.416
  305    H    ASP  40           HN       ASP  40  10.204   2.803  -3.491
  306    HA   ASP  40           HA       ASP  40   7.364   3.064  -4.220
  307   1HB   ASP  40           HB2      ASP  40   9.238   5.367  -4.105
  308   2HB   ASP  40           HB1      ASP  40   8.207   5.266  -5.530
  309    H    GLY  41           HN       GLY  41   7.023   2.216  -6.189
  310   1HA   GLY  41           HA2      GLY  41   8.666   2.490  -8.469
  311   2HA   GLY  41           HA1      GLY  41   9.173   1.008  -7.661
  312    H    GLU  42           HN       GLU  42   7.548  -0.645  -7.305
  313    HA   GLU  42           HA       GLU  42   5.439  -0.596  -9.428
  314   1HB   GLU  42           HB2      GLU  42   6.793  -2.914  -8.051
  315   2HB   GLU  42           HB1      GLU  42   5.537  -3.069  -9.272
  316   1HG   GLU  42           HG2      GLU  42   6.957  -1.905 -10.912
  317   2HG   GLU  42           HG1      GLU  42   8.205  -1.672  -9.690
  318    CH2  TRP  43           CH2      TRP  43   2.141   2.560  -2.053
  319    H    TRP  43           HN       TRP  43   3.375  -0.618  -8.807
  320    HA   TRP  43           HA       TRP  43   2.778  -1.264  -5.943
  321   1HB   TRP  43           HB2      TRP  43   1.734   0.847  -7.799
  322   2HB   TRP  43           HB1      TRP  43   0.768   0.316  -6.434
  323    HD1  TRP  43           HD1      TRP  43   4.357   1.560  -7.171
  324    HE1  TRP  43           HE1      TRP  43   5.084   2.880  -5.123
  325    HE3  TRP  43           HE3      TRP  43   0.397   0.752  -4.277
  326    HZ2  TRP  43           HZ2      TRP  43   4.056   3.435  -2.396
  327    HZ3  TRP  43           HZ3      TRP  43   0.248   1.576  -1.984
  328    HH2  TRP  43           HH2      TRP  43   2.071   2.924  -1.038
  329    H    THR  44           HN       THR  44   1.218  -2.698  -5.511
  330    HA   THR  44           HA       THR  44  -0.381  -3.757  -7.814
  331    HB   THR  44           HB       THR  44  -0.293  -5.968  -6.403
  332    HG1  THR  44           HG1      THR  44   0.602  -4.710  -4.620
  333   1HG2  THR  44          HG21      THR  44   1.066  -5.536  -8.535
  334   2HG2  THR  44          HG23      THR  44   2.349  -4.929  -7.494
  335   3HG2  THR  44          HG22      THR  44   1.843  -6.611  -7.377
  336    OH   TYR  45           OH       TYR  45  -8.841  -1.138  -3.084
  337    H    TYR  45           HN       TYR  45  -2.365  -4.930  -7.076
  338    HA   TYR  45           HA       TYR  45  -3.538  -3.828  -4.568
  339   1HB   TYR  45           HB2      TYR  45  -4.049  -2.429  -6.696
  340   2HB   TYR  45           HB1      TYR  45  -5.067  -3.787  -7.178
  341    HD1  TYR  45           HD1      TYR  45  -6.592  -4.613  -4.876
  342    HD2  TYR  45           HD2      TYR  45  -5.291  -0.687  -5.835
  343    HE1  TYR  45           HE1      TYR  45  -8.345  -3.687  -3.459
  344    HE2  TYR  45           HE2      TYR  45  -7.087   0.241  -4.463
  345    HH   TYR  45           HH       TYR  45  -8.597  -0.240  -2.846
  346    H    ASP  46           HN       ASP  46  -4.585  -5.397  -3.482
  347    HA   ASP  46           HA       ASP  46  -5.353  -7.880  -4.977
  348   1HB   ASP  46           HB2      ASP  46  -3.562  -7.889  -3.055
  349   2HB   ASP  46           HB1      ASP  46  -4.966  -7.819  -2.000
  350    H    ASP  47           HN       ASP  47  -7.414  -6.948  -5.514
  351    HA   ASP  47           HA       ASP  47  -9.241  -6.070  -3.432
  352   1HB   ASP  47           HB2      ASP  47  -9.456  -5.306  -5.774
  353   2HB   ASP  47           HB1      ASP  47  -9.819  -6.956  -6.273
  354    H    ALA  48           HN       ALA  48  -8.120  -9.080  -4.365
  355    HA   ALA  48           HA       ALA  48 -10.520 -10.651  -4.023
  356   1HB   ALA  48           HB3      ALA  48  -8.354 -11.377  -5.163
  357   2HB   ALA  48           HB2      ALA  48  -7.692 -11.604  -3.547
  358   3HB   ALA  48           HB1      ALA  48  -9.078 -12.555  -4.072
  359    H    THR  49           HN       THR  49  -8.263  -9.198  -1.847
  360    HA   THR  49           HA       THR  49  -9.837 -10.275   0.431
  361    HB   THR  49           HB       THR  49  -7.751 -10.884   1.667
  362    HG1  THR  49           HG1      THR  49  -6.417 -10.536  -0.785
  363   1HG2  THR  49          HG21      THR  49  -8.852 -12.541  -0.037
  364   2HG2  THR  49          HG23      THR  49  -7.518 -12.097  -1.097
  365   3HG2  THR  49          HG22      THR  49  -7.193 -12.864   0.455
  366    H    LYS  50           HN       LYS  50  -9.097  -7.657  -1.072
  367    HA   LYS  50           HA       LYS  50  -8.777  -5.410  -0.479
  368   1HB   LYS  50           HB2      LYS  50  -9.628  -6.371   2.265
  369   2HB   LYS  50           HB1      LYS  50  -9.732  -4.727   1.647
  370   1HG   LYS  50           HG2      LYS  50 -11.035  -6.342  -0.269
  371   2HG   LYS  50           HG1      LYS  50 -11.596  -6.918   1.298
  372   1HD   LYS  50           HD2      LYS  50 -12.106  -4.555   1.942
  373   2HD   LYS  50           HD1      LYS  50 -11.637  -4.039   0.326
  374   1HE   LYS  50           HE2      LYS  50 -14.040  -4.294   0.326
  375   2HE   LYS  50           HE1      LYS  50 -13.374  -5.640  -0.590
  376   1HZ   LYS  50           HZ1      LYS  50 -13.417  -6.582   1.943
  377   2HZ   LYS  50           HZ3      LYS  50 -14.834  -5.650   1.876
  378   3HZ   LYS  50           HZ2      LYS  50 -14.588  -6.899   0.754
  379    H    THR  51           HN       THR  51  -6.446  -6.405  -0.726
  380    HA   THR  51           HA       THR  51  -4.912  -5.457   1.650
  381    HB   THR  51           HB       THR  51  -4.676  -8.164   0.295
  382    HG1  THR  51           HG1      THR  51  -4.345  -8.303   2.810
  383   1HG2  THR  51          HG23      THR  51  -2.626  -6.801   2.088
  384   2HG2  THR  51          HG22      THR  51  -2.589  -8.489   1.605
  385   3HG2  THR  51          HG21      THR  51  -2.353  -7.227   0.404
  386    H    PHE  52           HN       PHE  52  -3.692  -3.789   0.894
  387    HA   PHE  52           HA       PHE  52  -3.011  -3.601  -1.932
  388   1HB   PHE  52           HB2      PHE  52  -3.031  -1.858   0.356
  389   2HB   PHE  52           HB1      PHE  52  -1.491  -1.749  -0.483
  390    HD1  PHE  52           HD1      PHE  52  -1.446  -1.154  -2.934
  391    HD2  PHE  52           HD2      PHE  52  -5.034  -1.101  -0.687
  392    HE1  PHE  52           HE1      PHE  52  -2.551   0.145  -4.709
  393    HE2  PHE  52           HE2      PHE  52  -6.091   0.320  -2.365
  394    HZ   PHE  52           HZ       PHE  52  -4.836   0.983  -4.362
  395    H    THR  53           HN       THR  53  -0.708  -3.299  -2.608
  396    HA   THR  53           HA       THR  53   1.355  -4.348  -0.822
  397    HB   THR  53           HB       THR  53   0.470  -5.973  -3.237
  398    HG1  THR  53           HG1      THR  53   0.368  -6.112  -0.418
  399   1HG2  THR  53          HG21      THR  53   3.039  -5.777  -1.904
  400   2HG2  THR  53          HG23      THR  53   2.301  -7.330  -1.525
  401   3HG2  THR  53          HG22      THR  53   2.572  -6.871  -3.203
  402    H    VAL  54           HN       VAL  54   3.373  -3.736  -1.464
  403    HA   VAL  54           HA       VAL  54   3.720  -2.680  -4.223
  404    HB   VAL  54           HB       VAL  54   3.047  -0.777  -2.708
  405   1HG1  VAL  54          HG11      VAL  54   4.214  -1.827  -0.714
  406   2HG1  VAL  54          HG13      VAL  54   5.729  -1.256  -1.399
  407   3HG1  VAL  54          HG12      VAL  54   4.486  -0.105  -0.923
  408   1HG2  VAL  54          HG21      VAL  54   5.845  -0.802  -3.874
  409   2HG2  VAL  54          HG23      VAL  54   4.380  -0.193  -4.620
  410   3HG2  VAL  54          HG22      VAL  54   5.086   0.652  -3.253
  411    H    THR  55           HN       THR  55   5.906  -2.663  -4.884
  412    HA   THR  55           HA       THR  55   7.897  -3.800  -2.985
  413    HB   THR  55           HB       THR  55   7.297  -5.047  -5.704
  414    HG1  THR  55           HG1      THR  55   7.157  -6.488  -3.385
  415   1HG2  THR  55          HG21      THR  55   9.504  -5.302  -3.725
  416   2HG2  THR  55          HG23      THR  55   8.769  -6.823  -4.222
  417   3HG2  THR  55          HG22      THR  55   9.479  -5.754  -5.424
  418    H    GLU  56           HN       GLU  56   9.685  -2.577  -3.130
  419    HA   GLU  56           HA       GLU  56  10.069  -0.636  -5.218
  420   1HB   GLU  56           HB2      GLU  56  11.201  -1.151  -2.718
  421   2HB   GLU  56           HB1      GLU  56  12.530  -1.362  -3.849
  422   1HG   GLU  56           HG2      GLU  56  11.880   0.850  -4.892
  423   2HG   GLU  56           HG1      GLU  56  10.724   1.063  -3.581
   
  Start of MODEL          22
 Raw file had 423 H/Q atoms
  Entry Start of MODEL   22
    1   1H    MET   1           HT1      MET   1 -13.898   0.443   5.160
    2   2H    MET   1           HT3      MET   1 -15.182  -0.346   4.379
    3   3H    MET   1           HT2      MET   1 -13.903  -1.251   5.033
    4    HA   MET   1           HA       MET   1 -13.521  -1.204   2.733
    5   1HB   MET   1           HB2      MET   1 -13.526   1.791   2.661
    6   2HB   MET   1           HB1      MET   1 -13.806   0.647   1.354
    7   1HG   MET   1           HG2      MET   1 -15.924   1.584   1.855
    8   2HG   MET   1           HG1      MET   1 -15.932  -0.028   2.518
    9   1HE   MET   1           HE2      MET   1 -15.107   3.513   3.105
   10   2HE   MET   1           HE1      MET   1 -15.697   3.937   4.711
   11   3HE   MET   1           HE3      MET   1 -14.174   3.066   4.533
   12    H    THR   2           HN       THR   2 -11.921  -1.393   4.942
   13    HA   THR   2           HA       THR   2  -9.612   0.423   4.416
   14    HB   THR   2           HB       THR   2  -9.815  -1.545   6.717
   15    HG1  THR   2           HG1      THR   2 -11.318  -0.261   7.476
   16   1HG2  THR   2          HG22      THR   2  -7.700  -0.064   6.069
   17   2HG2  THR   2          HG21      THR   2  -8.668   1.239   6.749
   18   3HG2  THR   2          HG23      THR   2  -8.227  -0.142   7.747
   19    OH   TYR   3           OH       TYR   3 -11.586   0.330  -0.925
   20    H    TYR   3           HN       TYR   3  -7.859  -0.318   3.376
   21    HA   TYR   3           HA       TYR   3  -7.707  -3.259   2.844
   22   1HB   TYR   3           HB2      TYR   3  -6.106  -1.181   1.378
   23   2HB   TYR   3           HB1      TYR   3  -6.601  -2.775   0.834
   24    HD1  TYR   3           HD1      TYR   3  -7.947   0.579   1.757
   25    HD2  TYR   3           HD2      TYR   3  -8.644  -3.055  -0.332
   26    HE1  TYR   3           HE1      TYR   3  -9.968   1.542   0.755
   27    HE2  TYR   3           HE2      TYR   3 -10.659  -2.093  -1.342
   28    HH   TYR   3           HH       TYR   3 -11.315   1.000  -1.556
   29    H    LYS   4           HN       LYS   4  -5.593  -4.252   2.862
   30    HA   LYS   4           HA       LYS   4  -3.836  -3.052   4.964
   31   1HB   LYS   4           HB2      LYS   4  -5.011  -5.458   5.015
   32   2HB   LYS   4           HB1      LYS   4  -3.577  -5.897   4.101
   33   1HG   LYS   4           HG2      LYS   4  -2.288  -4.581   5.973
   34   2HG   LYS   4           HG1      LYS   4  -3.763  -4.793   6.902
   35   1HD   LYS   4           HD2      LYS   4  -2.341  -7.128   5.581
   36   2HD   LYS   4           HD1      LYS   4  -1.975  -6.604   7.217
   37   1HE   LYS   4           HE2      LYS   4  -3.617  -8.361   7.392
   38   2HE   LYS   4           HE1      LYS   4  -4.439  -6.851   7.760
   39   1HZ   LYS   4           HZ2      LYS   4  -4.474  -7.498   4.969
   40   2HZ   LYS   4           HZ1      LYS   4  -5.231  -8.676   5.929
   41   3HZ   LYS   4           HZ3      LYS   4  -5.750  -7.061   6.001
   42    H    LEU   5           HN       LEU   5  -1.960  -2.219   4.253
   43    HA   LEU   5           HA       LEU   5  -1.015  -2.916   1.551
   44   1HB   LEU   5           HB2      LEU   5  -0.919  -0.579   2.056
   45   2HB   LEU   5           HB1      LEU   5  -0.170  -0.867   3.616
   46    HG   LEU   5           HG       LEU   5   1.900  -1.712   2.376
   47   1HD1  LEU   5          HD12      LEU   5   0.429  -0.548  -0.009
   48   2HD1  LEU   5          HD11      LEU   5   2.083  -1.136  -0.012
   49   3HD1  LEU   5          HD13      LEU   5   0.756  -2.259   0.228
   50   1HD2  LEU   5          HD21      LEU   5   1.509   0.687   3.207
   51   2HD2  LEU   5          HD23      LEU   5   2.739   0.468   1.967
   52   3HD2  LEU   5          HD22      LEU   5   1.151   1.080   1.529
   53    H    ILE   6           HN       ILE   6   1.022  -3.803   1.113
   54    HA   ILE   6           HA       ILE   6   2.509  -4.963   3.387
   55    HB   ILE   6           HB       ILE   6   1.747  -6.298   0.790
   56   1HG1  ILE   6          HG12      ILE   6   1.419  -7.408   3.564
   57   2HG1  ILE   6          HG11      ILE   6   0.268  -6.219   2.975
   58   1HG2  ILE   6          HG22      ILE   6   4.003  -6.762   2.670
   59   2HG2  ILE   6          HG21      ILE   6   3.117  -8.196   2.170
   60   3HG2  ILE   6          HG23      ILE   6   3.869  -7.162   0.961
   61   1HD1  ILE   6           HD2      ILE   6   0.970  -8.813   1.557
   62   2HD1  ILE   6           HD1      ILE   6  -0.494  -8.532   2.488
   63   3HD1  ILE   6           HD3      ILE   6  -0.204  -7.626   1.008
   64    H    LEU   7           HN       LEU   7   4.286  -3.696   3.383
   65    HA   LEU   7           HA       LEU   7   5.461  -2.714   0.904
   66   1HB   LEU   7           HB2      LEU   7   6.279  -2.524   3.793
   67   2HB   LEU   7           HB1      LEU   7   7.245  -1.841   2.491
   68    HG   LEU   7           HG       LEU   7   4.395  -1.154   2.292
   69   1HD1  LEU   7          HD11      LEU   7   6.012  -0.185   4.674
   70   2HD1  LEU   7          HD13      LEU   7   4.448   0.456   4.181
   71   3HD1  LEU   7          HD12      LEU   7   4.579  -1.204   4.753
   72   1HD2  LEU   7          HD23      LEU   7   6.212  -0.106   0.967
   73   2HD2  LEU   7          HD22      LEU   7   5.372   1.091   1.948
   74   3HD2  LEU   7          HD21      LEU   7   6.947   0.488   2.453
   75    H    ASN   8           HN       ASN   8   6.670  -3.933  -0.372
   76    HA   ASN   8           HA       ASN   8   8.321  -6.090   0.866
   77   1HB   ASN   8           HB2      ASN   8   6.699  -5.870  -1.547
   78   2HB   ASN   8           HB1      ASN   8   8.316  -6.437  -1.910
   79   1HD2  ASN   8          HD22      ASN   8   5.767  -9.058  -0.570
   80   2HD2  ASN   8          HD21      ASN   8   5.413  -7.656  -1.448
   81    H    GLY   9           HN       GLY   9   9.194  -3.433   1.039
   82   1HA   GLY   9           HA2      GLY   9  10.857  -2.479  -1.010
   83   2HA   GLY   9           HA1      GLY   9  11.188  -2.221   0.697
   84    H    LYS  10           HN       LYS  10  13.035  -2.775  -1.521
   85    HA   LYS  10           HA       LYS  10  13.979  -5.457  -1.492
   86   1HB   LYS  10           HB2      LYS  10  14.687  -3.228  -2.855
   87   2HB   LYS  10           HB1      LYS  10  16.010  -3.305  -1.697
   88   1HG   LYS  10           HG2      LYS  10  16.393  -5.687  -2.338
   89   2HG   LYS  10           HG1      LYS  10  15.122  -5.542  -3.549
   90   1HD   LYS  10           HD2      LYS  10  16.381  -3.735  -4.667
   91   2HD   LYS  10           HD1      LYS  10  17.645  -3.852  -3.447
   92   1HE   LYS  10           HE2      LYS  10  17.394  -5.374  -5.838
   93   2HE   LYS  10           HE1      LYS  10  18.615  -5.541  -4.583
   94   1HZ   LYS  10           HZ1      LYS  10  15.950  -6.846  -4.574
   95   2HZ   LYS  10           HZ3      LYS  10  17.421  -7.604  -4.955
   96   3HZ   LYS  10           HZ2      LYS  10  17.148  -7.021  -3.383
   97    H    THR  11           HN       THR  11  15.354  -2.666   0.234
   98    HA   THR  11           HA       THR  11  16.634  -4.540   2.129
   99    HB   THR  11           HB       THR  11  17.844  -2.446   2.879
  100    HG1  THR  11           HG1      THR  11  17.382  -0.691   1.305
  101   1HG2  THR  11          HG21      THR  11  18.385  -3.886   0.642
  102   2HG2  THR  11          HG23      THR  11  17.985  -2.340  -0.098
  103   3HG2  THR  11          HG22      THR  11  19.301  -2.443   1.067
  104    H    LEU  12           HN       LEU  12  13.670  -3.409   1.958
  105    HA   LEU  12           HA       LEU  12  13.398  -3.294   4.894
  106   1HB   LEU  12           HB2      LEU  12  13.865  -0.923   3.969
  107   2HB   LEU  12           HB1      LEU  12  12.233  -1.011   3.316
  108    HG   LEU  12           HG       LEU  12  11.725  -1.855   5.827
  109   1HD1  LEU  12          HD12      LEU  12  14.177  -1.592   6.401
  110   2HD1  LEU  12          HD11      LEU  12  13.990   0.140   6.148
  111   3HD1  LEU  12          HD13      LEU  12  13.097  -0.663   7.435
  112   1HD2  LEU  12          HD22      LEU  12  12.044   1.026   4.916
  113   2HD2  LEU  12          HD21      LEU  12  10.608   0.026   4.719
  114   3HD2  LEU  12          HD23      LEU  12  11.121   0.523   6.329
  115    H    LYS  13           HN       LYS  13  11.331  -3.759   5.625
  116    HA   LYS  13           HA       LYS  13   9.204  -4.183   3.589
  117   1HB   LYS  13           HB2      LYS  13  10.082  -6.266   5.611
  118   2HB   LYS  13           HB1      LYS  13   8.682  -6.406   4.562
  119   1HG   LYS  13           HG2      LYS  13  10.193  -7.500   3.215
  120   2HG   LYS  13           HG1      LYS  13  10.551  -5.863   2.691
  121   1HD   LYS  13           HD2      LYS  13  12.692  -6.607   3.219
  122   2HD   LYS  13           HD1      LYS  13  12.219  -5.913   4.763
  123   1HE   LYS  13           HE2      LYS  13  11.319  -8.241   5.366
  124   2HE   LYS  13           HE1      LYS  13  12.180  -8.828   3.949
  125   1HZ   LYS  13           HZ2      LYS  13  14.015  -7.302   5.262
  126   2HZ   LYS  13           HZ1      LYS  13  13.192  -8.101   6.515
  127   3HZ   LYS  13           HZ3      LYS  13  13.927  -8.998   5.274
  128    H    GLY  14           HN       GLY  14   7.061  -4.275   4.521
  129   1HA   GLY  14           HA2      GLY  14   6.611  -3.913   7.345
  130   2HA   GLY  14           HA1      GLY  14   6.566  -2.358   6.521
  131    H    GLU  15           HN       GLU  15   4.294  -2.553   7.450
  132    HA   GLU  15           HA       GLU  15   2.447  -3.079   5.325
  133   1HB   GLU  15           HB2      GLU  15   1.239  -4.983   6.239
  134   2HB   GLU  15           HB1      GLU  15   2.925  -5.439   6.034
  135   1HG   GLU  15           HG2      GLU  15   3.065  -4.465   8.543
  136   2HG   GLU  15           HG1      GLU  15   1.379  -4.980   8.543
  137    H    THR  16           HN       THR  16   0.698  -1.831   5.671
  138    HA   THR  16           HA       THR  16  -0.203  -1.306   8.439
  139    HB   THR  16           HB       THR  16   1.421   0.521   8.099
  140    HG1  THR  16           HG1      THR  16  -0.375   1.194   9.151
  141   1HG2  THR  16          HG23      THR  16   0.579   0.405   5.409
  142   2HG2  THR  16          HG22      THR  16  -0.094   1.907   6.027
  143   3HG2  THR  16          HG21      THR  16   1.641   1.619   6.106
  144    H    THR  17           HN       THR  17  -2.325  -0.326   8.521
  145    HA   THR  17           HA       THR  17  -3.874  -0.832   6.005
  146    HB   THR  17           HB       THR  17  -5.687  -1.605   7.346
  147    HG1  THR  17           HG1      THR  17  -4.457  -0.629   9.672
  148   1HG2  THR  17          HG23      THR  17  -3.215  -2.758   7.870
  149   2HG2  THR  17          HG22      THR  17  -3.754  -2.288   9.477
  150   3HG2  THR  17          HG21      THR  17  -4.743  -3.364   8.496
  151    H    THR  18           HN       THR  18  -5.120   0.758   5.174
  152    HA   THR  18           HA       THR  18  -5.471   3.257   6.789
  153    HB   THR  18           HB       THR  18  -3.664   3.330   4.874
  154    HG1  THR  18           HG1      THR  18  -5.894   5.033   5.298
  155   1HG2  THR  18          HG22      THR  18  -5.585   2.366   3.254
  156   2HG2  THR  18          HG21      THR  18  -6.053   4.063   3.208
  157   3HG2  THR  18          HG23      THR  18  -4.445   3.577   2.678
  158    H    GLU  19           HN       GLU  19  -7.346   4.476   6.323
  159    HA   GLU  19           HA       GLU  19  -9.567   2.830   5.280
  160   1HB   GLU  19           HB2      GLU  19  -9.464   5.484   6.723
  161   2HB   GLU  19           HB1      GLU  19 -10.960   4.772   6.131
  162   1HG   GLU  19           HG2      GLU  19 -10.670   4.127   8.465
  163   2HG   GLU  19           HG1      GLU  19 -10.428   2.700   7.462
  164    H    ALA  20           HN       ALA  20 -10.286   3.024   3.259
  165    HA   ALA  20           HA       ALA  20 -10.052   5.655   1.884
  166   1HB   ALA  20           HB1      ALA  20  -8.503   3.297   1.280
  167   2HB   ALA  20           HB3      ALA  20  -9.547   3.692  -0.082
  168   3HB   ALA  20           HB2      ALA  20  -8.418   4.891   0.539
  169    H    VAL  21           HN       VAL  21 -11.636   6.024   0.315
  170    HA   VAL  21           HA       VAL  21 -13.982   4.226   0.534
  171    HB   VAL  21           HB       VAL  21 -14.144   6.750   0.811
  172   1HG1  VAL  21          HG13      VAL  21 -12.574   7.038  -1.257
  173   2HG1  VAL  21          HG12      VAL  21 -14.041   6.813  -2.203
  174   3HG1  VAL  21          HG11      VAL  21 -13.920   8.156  -1.070
  175   1HG2  VAL  21          HG21      VAL  21 -15.771   5.301  -1.301
  176   2HG2  VAL  21          HG23      VAL  21 -16.157   5.467   0.408
  177   3HG2  VAL  21          HG22      VAL  21 -16.219   6.874  -0.648
  178    H    ASP  22           HN       ASP  22 -11.729   5.490  -1.847
  179    HA   ASP  22           HA       ASP  22 -12.819   3.523  -3.828
  180   1HB   ASP  22           HB2      ASP  22 -11.853   5.260  -5.530
  181   2HB   ASP  22           HB1      ASP  22 -13.418   5.577  -4.785
  182    H    ALA  23           HN       ALA  23 -11.359   2.197  -4.748
  183    HA   ALA  23           HA       ALA  23  -8.843   1.703  -3.667
  184   1HB   ALA  23           HB2      ALA  23 -10.168   1.075  -6.244
  185   2HB   ALA  23           HB1      ALA  23  -8.416   0.908  -6.221
  186   3HB   ALA  23           HB3      ALA  23  -9.402  -0.004  -5.083
  187    H    ALA  24           HN       ALA  24  -9.761   4.287  -5.721
  188    HA   ALA  24           HA       ALA  24  -7.148   4.850  -6.837
  189   1HB   ALA  24           HB1      ALA  24  -9.726   6.373  -6.585
  190   2HB   ALA  24           HB3      ALA  24  -8.266   7.204  -7.115
  191   3HB   ALA  24           HB2      ALA  24  -8.890   5.842  -8.042
  192    H    THR  25           HN       THR  25  -9.020   6.617  -4.362
  193    HA   THR  25           HA       THR  25  -6.869   8.237  -3.483
  194    HB   THR  25           HB       THR  25  -9.370   8.476  -2.860
  195    HG1  THR  25           HG1      THR  25  -8.651   9.573  -1.069
  196   1HG2  THR  25          HG22      THR  25  -9.095   6.005  -1.711
  197   2HG2  THR  25          HG21      THR  25  -8.671   7.039  -0.349
  198   3HG2  THR  25          HG23      THR  25 -10.240   7.207  -1.127
  199    H    ALA  26           HN       ALA  26  -7.491   4.892  -2.962
  200    HA   ALA  26           HA       ALA  26  -5.966   4.610  -0.520
  201   1HB   ALA  26           HB1      ALA  26  -6.557   2.563  -2.681
  202   2HB   ALA  26           HB3      ALA  26  -5.946   2.200  -1.069
  203   3HB   ALA  26           HB2      ALA  26  -7.559   2.877  -1.268
  204    H    GLU  27           HN       GLU  27  -5.205   4.337  -3.962
  205    HA   GLU  27           HA       GLU  27  -2.524   3.450  -3.735
  206   1HB   GLU  27           HB2      GLU  27  -4.072   5.006  -5.764
  207   2HB   GLU  27           HB1      GLU  27  -2.321   4.999  -5.905
  208   1HG   GLU  27           HG2      GLU  27  -2.345   2.506  -5.855
  209   2HG   GLU  27           HG1      GLU  27  -4.104   2.547  -5.782
  210    H    LYS  28           HN       LYS  28  -3.800   6.754  -3.913
  211    HA   LYS  28           HA       LYS  28  -1.261   8.040  -3.545
  212   1HB   LYS  28           HB2      LYS  28  -3.956   9.168  -2.764
  213   2HB   LYS  28           HB1      LYS  28  -2.518  10.062  -3.243
  214   1HG   LYS  28           HG2      LYS  28  -2.646   9.057  -5.505
  215   2HG   LYS  28           HG1      LYS  28  -4.083   8.162  -5.027
  216   1HD   LYS  28           HD2      LYS  28  -4.992  10.547  -4.352
  217   2HD   LYS  28           HD1      LYS  28  -3.756  11.120  -5.467
  218   1HE   LYS  28           HE2      LYS  28  -5.919  10.788  -6.629
  219   2HE   LYS  28           HE1      LYS  28  -4.691   9.695  -7.253
  220   1HZ   LYS  28           HZ2      LYS  28  -6.554   8.892  -5.110
  221   2HZ   LYS  28           HZ1      LYS  28  -6.947   8.722  -6.751
  222   3HZ   LYS  28           HZ3      LYS  28  -5.607   7.899  -6.108
  223    H    VAL  29           HN       VAL  29  -3.898   7.347  -1.259
  224    HA   VAL  29           HA       VAL  29  -2.749   8.469   1.052
  225    HB   VAL  29           HB       VAL  29  -4.494   6.019   0.724
  226   1HG1  VAL  29          HG13      VAL  29  -3.461   7.420   3.200
  227   2HG1  VAL  29          HG12      VAL  29  -4.960   6.498   3.221
  228   3HG1  VAL  29          HG11      VAL  29  -3.440   5.697   2.838
  229   1HG2  VAL  29          HG21      VAL  29  -5.159   8.553   0.214
  230   2HG2  VAL  29          HG23      VAL  29  -6.283   7.472   1.033
  231   3HG2  VAL  29          HG22      VAL  29  -5.324   8.617   1.966
  232    H    PHE  30           HN       PHE  30  -2.486   5.086  -0.044
  233    HA   PHE  30           HA       PHE  30  -0.560   4.378   1.965
  234   1HB   PHE  30           HB2      PHE  30  -1.531   3.135  -0.578
  235   2HB   PHE  30           HB1      PHE  30  -0.049   2.515   0.136
  236    HD1  PHE  30           HD1      PHE  30  -0.303   2.295   2.894
  237    HD2  PHE  30           HD2      PHE  30  -3.460   1.972   0.044
  238    HE1  PHE  30           HE1      PHE  30  -1.645   1.021   4.509
  239    HE2  PHE  30           HE2      PHE  30  -4.770   0.682   1.664
  240    HZ   PHE  30           HZ       PHE  30  -3.863   0.177   3.882
  241    H    LYS  31           HN       LYS  31  -0.236   5.434  -1.404
  242    HA   LYS  31           HA       LYS  31   2.572   5.112  -1.646
  243   1HB   LYS  31           HB2      LYS  31   1.111   5.691  -3.550
  244   2HB   LYS  31           HB1      LYS  31   0.840   7.286  -2.849
  245   1HG   LYS  31           HG2      LYS  31   3.178   7.863  -3.072
  246   2HG   LYS  31           HG1      LYS  31   3.596   6.214  -3.525
  247   1HD   LYS  31           HD2      LYS  31   1.498   7.376  -5.222
  248   2HD   LYS  31           HD1      LYS  31   3.017   8.260  -5.302
  249   1HE   LYS  31           HE2      LYS  31   2.842   5.245  -5.573
  250   2HE   LYS  31           HE1      LYS  31   2.807   6.335  -6.953
  251   1HZ   LYS  31           HZ1      LYS  31   4.951   7.089  -5.349
  252   2HZ   LYS  31           HZ3      LYS  31   5.027   5.401  -5.518
  253   3HZ   LYS  31           HZ2      LYS  31   4.995   6.392  -6.898
  254    H    GLN  32           HN       GLN  32   0.665   7.631  -0.132
  255    HA   GLN  32           HA       GLN  32   2.827   9.482   0.288
  256   1HB   GLN  32           HB2      GLN  32   0.368  10.017   0.498
  257   2HB   GLN  32           HB1      GLN  32   0.363   9.127   2.016
  258   1HG   GLN  32           HG2      GLN  32   2.575  10.832   2.233
  259   2HG   GLN  32           HG1      GLN  32   1.340  11.825   1.462
  260   1HE2  GLN  32          HE22      GLN  32   0.854  10.606   5.328
  261   2HE2  GLN  32          HE21      GLN  32   2.125   9.992   4.385
  262    OH   TYR  33           OH       TYR  33   4.889   2.395   8.181
  263    H    TYR  33           HN       TYR  33   1.638   6.687   2.016
  264    HA   TYR  33           HA       TYR  33   3.201   7.121   4.410
  265   1HB   TYR  33           HB2      TYR  33   1.255   5.649   4.463
  266   2HB   TYR  33           HB1      TYR  33   1.988   4.598   3.255
  267    HD1  TYR  33           HD1      TYR  33   4.118   3.367   3.831
  268    HD2  TYR  33           HD2      TYR  33   1.865   5.455   6.772
  269    HE1  TYR  33           HE1      TYR  33   5.282   2.135   5.596
  270    HE2  TYR  33           HE2      TYR  33   3.029   4.218   8.540
  271    HH   TYR  33           HH       TYR  33   4.490   2.631   9.021
  272    H    ALA  34           HN       ALA  34   3.592   4.846   1.709
  273    HA   ALA  34           HA       ALA  34   6.080   3.770   2.372
  274   1HB   ALA  34           HB1      ALA  34   4.440   3.886   0.053
  275   2HB   ALA  34           HB3      ALA  34   6.075   4.310  -0.446
  276   3HB   ALA  34           HB2      ALA  34   5.775   2.783   0.374
  277    H    ASN  35           HN       ASN  35   5.364   6.882   0.895
  278    HA   ASN  35           HA       ASN  35   7.944   7.672   0.094
  279   1HB   ASN  35           HB2      ASN  35   5.940   9.021  -0.355
  280   2HB   ASN  35           HB1      ASN  35   5.786   9.382   1.362
  281   1HD2  ASN  35          HD22      ASN  35   7.904  12.157   1.057
  282   2HD2  ASN  35          HD21      ASN  35   6.555  11.436   1.794
  283    H    ASP  36           HN       ASP  36   6.461   7.773   3.297
  284    HA   ASP  36           HA       ASP  36   8.680   9.124   4.565
  285   1HB   ASP  36           HB2      ASP  36   6.209   7.741   5.446
  286   2HB   ASP  36           HB1      ASP  36   7.519   7.804   6.622
  287    H    ASN  37           HN       ASN  37   8.836   6.376   2.999
  288    HA   ASN  37           HA       ASN  37  10.801   5.176   4.906
  289   1HB   ASN  37           HB2      ASN  37   8.825   3.676   3.166
  290   2HB   ASN  37           HB1      ASN  37  10.088   2.929   4.141
  291   1HD2  ASN  37          HD22      ASN  37   6.608   3.806   5.875
  292   2HD2  ASN  37          HD21      ASN  37   6.843   3.727   4.196
  293    H    GLY  38           HN       GLY  38   9.849   5.871   1.627
  294   1HA   GLY  38           HA2      GLY  38  11.489   6.395  -0.081
  295   2HA   GLY  38           HA1      GLY  38  12.660   5.399   0.777
  296    H    VAL  39           HN       VAL  39   9.496   4.115   0.443
  297    HA   VAL  39           HA       VAL  39  10.553   2.080  -1.441
  298    HB   VAL  39           HB       VAL  39   8.044   2.178   0.251
  299   1HG1  VAL  39          HG13      VAL  39   8.957   0.321  -1.923
  300   2HG1  VAL  39          HG12      VAL  39   8.101  -0.355  -0.541
  301   3HG1  VAL  39          HG11      VAL  39   7.328   0.870  -1.543
  302   1HG2  VAL  39          HG21      VAL  39  10.206   1.768   1.433
  303   2HG2  VAL  39          HG23      VAL  39   9.152   0.359   1.475
  304   3HG2  VAL  39          HG22      VAL  39  10.511   0.408   0.357
  305    H    ASP  40           HN       ASP  40  10.390   2.827  -3.501
  306    HA   ASP  40           HA       ASP  40   7.650   3.414  -4.485
  307   1HB   ASP  40           HB2      ASP  40  10.012   5.168  -5.194
  308   2HB   ASP  40           HB1      ASP  40   8.326   5.420  -5.639
  309    H    GLY  41           HN       GLY  41   7.279   2.154  -6.190
  310   1HA   GLY  41           HA2      GLY  41   9.053   1.940  -8.429
  311   2HA   GLY  41           HA1      GLY  41   9.220   0.504  -7.423
  312    H    GLU  42           HN       GLU  42   7.627  -1.025  -7.437
  313    HA   GLU  42           HA       GLU  42   5.458  -0.623  -9.449
  314   1HB   GLU  42           HB2      GLU  42   6.226  -3.243  -8.217
  315   2HB   GLU  42           HB1      GLU  42   5.454  -2.950  -9.769
  316   1HG   GLU  42           HG2      GLU  42   7.632  -3.335 -10.485
  317   2HG   GLU  42           HG1      GLU  42   7.708  -1.594 -10.229
  318    CH2  TRP  43           CH2      TRP  43   2.119   2.551  -2.119
  319    H    TRP  43           HN       TRP  43   3.368  -0.678  -8.856
  320    HA   TRP  43           HA       TRP  43   2.754  -1.298  -5.990
  321   1HB   TRP  43           HB2      TRP  43   1.748   0.816  -7.863
  322   2HB   TRP  43           HB1      TRP  43   0.765   0.303  -6.502
  323    HD1  TRP  43           HD1      TRP  43   4.368   1.509  -7.216
  324    HE1  TRP  43           HE1      TRP  43   5.080   2.859  -5.180
  325    HE3  TRP  43           HE3      TRP  43   0.391   0.727  -4.340
  326    HZ2  TRP  43           HZ2      TRP  43   4.031   3.436  -2.459
  327    HZ3  TRP  43           HZ3      TRP  43   0.228   1.567  -2.056
  328    HH2  TRP  43           HH2      TRP  43   2.047   2.913  -1.105
  329    H    THR  44           HN       THR  44   1.170  -2.735  -5.563
  330    HA   THR  44           HA       THR  44  -0.461  -3.711  -7.885
  331    HB   THR  44           HB       THR  44   0.012  -5.943  -7.362
  332    HG1  THR  44           HG1      THR  44  -0.281  -6.454  -5.330
  333   1HG2  THR  44          HG22      THR  44   2.256  -4.723  -7.660
  334   2HG2  THR  44          HG21      THR  44   2.339  -4.642  -5.904
  335   3HG2  THR  44          HG23      THR  44   2.333  -6.205  -6.713
  336    OH   TYR  45           OH       TYR  45  -8.845  -1.324  -2.973
  337    H    TYR  45           HN       TYR  45  -2.393  -4.990  -7.111
  338    HA   TYR  45           HA       TYR  45  -3.540  -3.945  -4.564
  339   1HB   TYR  45           HB2      TYR  45  -4.115  -2.546  -6.684
  340   2HB   TYR  45           HB1      TYR  45  -5.123  -3.919  -7.141
  341    HD1  TYR  45           HD1      TYR  45  -6.555  -4.766  -4.778
  342    HD2  TYR  45           HD2      TYR  45  -5.375  -0.821  -5.815
  343    HE1  TYR  45           HE1      TYR  45  -8.305  -3.866  -3.336
  344    HE2  TYR  45           HE2      TYR  45  -7.155   0.080  -4.411
  345    HH   TYR  45           HH       TYR  45  -8.527  -1.315  -2.067
  346    H    ASP  46           HN       ASP  46  -4.510  -5.574  -3.479
  347    HA   ASP  46           HA       ASP  46  -5.147  -8.087  -4.973
  348   1HB   ASP  46           HB2      ASP  46  -3.499  -8.053  -2.983
  349   2HB   ASP  46           HB1      ASP  46  -4.932  -7.848  -1.979
  350    H    ASP  47           HN       ASP  47  -7.150  -6.744  -5.586
  351    HA   ASP  47           HA       ASP  47  -9.158  -6.105  -3.678
  352   1HB   ASP  47           HB2      ASP  47  -9.193  -5.393  -6.066
  353   2HB   ASP  47           HB1      ASP  47  -9.574  -7.050  -6.525
  354    H    ALA  48           HN       ALA  48  -7.848  -9.062  -4.272
  355    HA   ALA  48           HA       ALA  48 -10.247 -10.706  -4.150
  356   1HB   ALA  48           HB1      ALA  48  -7.598 -11.156  -4.803
  357   2HB   ALA  48           HB3      ALA  48  -7.760 -11.962  -3.246
  358   3HB   ALA  48           HB2      ALA  48  -8.818 -12.406  -4.581
  359    H    THR  49           HN       THR  49  -8.144  -9.187  -1.857
  360    HA   THR  49           HA       THR  49  -9.873 -10.195   0.332
  361    HB   THR  49           HB       THR  49  -7.789 -10.697   1.720
  362    HG1  THR  49           HG1      THR  49  -6.821  -9.822  -0.740
  363   1HG2  THR  49          HG22      THR  49  -9.061 -12.420   0.103
  364   2HG2  THR  49          HG21      THR  49  -7.557 -12.305  -0.807
  365   3HG2  THR  49          HG23      THR  49  -7.535 -12.865   0.863
  366    H    LYS  50           HN       LYS  50  -9.123  -7.618  -1.146
  367    HA   LYS  50           HA       LYS  50  -8.796  -5.362  -0.590
  368   1HB   LYS  50           HB2      LYS  50  -9.786  -6.352   2.099
  369   2HB   LYS  50           HB1      LYS  50  -9.723  -4.668   1.591
  370   1HG   LYS  50           HG2      LYS  50 -11.503  -4.894   0.138
  371   2HG   LYS  50           HG1      LYS  50 -11.136  -6.578  -0.219
  372   1HD   LYS  50           HD2      LYS  50 -13.213  -6.332   1.145
  373   2HD   LYS  50           HD1      LYS  50 -11.975  -7.264   1.977
  374   1HE   LYS  50           HE2      LYS  50 -11.507  -5.555   3.486
  375   2HE   LYS  50           HE1      LYS  50 -12.033  -4.293   2.379
  376   1HZ   LYS  50           HZ2      LYS  50 -14.328  -5.466   2.705
  377   2HZ   LYS  50           HZ1      LYS  50 -13.622  -5.984   4.160
  378   3HZ   LYS  50           HZ3      LYS  50 -13.761  -4.324   3.827
  379    H    THR  51           HN       THR  51  -6.466  -6.402  -0.755
  380    HA   THR  51           HA       THR  51  -4.977  -5.409   1.636
  381    HB   THR  51           HB       THR  51  -4.764  -8.140   0.336
  382    HG1  THR  51           HG1      THR  51  -5.998  -7.749   2.226
  383   1HG2  THR  51          HG23      THR  51  -2.673  -6.754   2.061
  384   2HG2  THR  51          HG22      THR  51  -2.677  -8.462   1.655
  385   3HG2  THR  51          HG21      THR  51  -2.428  -7.263   0.395
  386    H    PHE  52           HN       PHE  52  -3.706  -3.773   0.888
  387    HA   PHE  52           HA       PHE  52  -2.999  -3.621  -1.940
  388   1HB   PHE  52           HB2      PHE  52  -2.999  -1.847   0.340
  389   2HB   PHE  52           HB1      PHE  52  -1.481  -1.742  -0.543
  390    HD1  PHE  52           HD1      PHE  52  -1.499  -1.155  -2.991
  391    HD2  PHE  52           HD2      PHE  52  -5.044  -1.138  -0.672
  392    HE1  PHE  52           HE1      PHE  52  -2.665   0.107  -4.758
  393    HE2  PHE  52           HE2      PHE  52  -6.155   0.244  -2.339
  394    HZ   PHE  52           HZ       PHE  52  -4.960   0.900  -4.374
  395    H    THR  53           HN       THR  53  -0.716  -3.416  -2.647
  396    HA   THR  53           HA       THR  53   1.361  -4.361  -0.822
  397    HB   THR  53           HB       THR  53   0.397  -6.151  -3.078
  398    HG1  THR  53           HG1      THR  53  -0.549  -7.000  -1.392
  399   1HG2  THR  53          HG22      THR  53   3.023  -5.882  -1.766
  400   2HG2  THR  53          HG21      THR  53   2.315  -7.481  -1.562
  401   3HG2  THR  53          HG23      THR  53   2.590  -6.840  -3.178
  402    H    VAL  54           HN       VAL  54   3.244  -3.499  -1.393
  403    HA   VAL  54           HA       VAL  54   3.641  -2.674  -4.244
  404    HB   VAL  54           HB       VAL  54   3.042  -0.727  -2.759
  405   1HG1  VAL  54          HG13      VAL  54   4.198  -1.782  -0.761
  406   2HG1  VAL  54          HG12      VAL  54   5.722  -1.260  -1.467
  407   3HG1  VAL  54          HG11      VAL  54   4.512  -0.071  -0.997
  408   1HG2  VAL  54          HG22      VAL  54   5.831  -0.850  -3.941
  409   2HG2  VAL  54          HG21      VAL  54   4.376  -0.231  -4.697
  410   3HG2  VAL  54          HG23      VAL  54   5.103   0.635  -3.356
  411    H    THR  55           HN       THR  55   5.815  -2.741  -4.935
  412    HA   THR  55           HA       THR  55   7.807  -3.888  -3.050
  413    HB   THR  55           HB       THR  55   7.111  -5.199  -5.714
  414    HG1  THR  55           HG1      THR  55   5.581  -5.639  -4.159
  415   1HG2  THR  55          HG22      THR  55   9.337  -5.472  -3.766
  416   2HG2  THR  55          HG21      THR  55   8.519  -6.981  -4.162
  417   3HG2  THR  55          HG23      THR  55   9.251  -6.015  -5.435
  418    H    GLU  56           HN       GLU  56   9.472  -2.498  -3.227
  419    HA   GLU  56           HA       GLU  56   9.917  -0.741  -5.421
  420   1HB   GLU  56           HB2      GLU  56  11.049  -1.134  -2.907
  421   2HB   GLU  56           HB1      GLU  56  12.372  -1.454  -4.020
  422   1HG   GLU  56           HG2      GLU  56  11.725   0.719  -5.211
  423   2HG   GLU  56           HG1      GLU  56  10.679   1.054  -3.832
   
  Start of MODEL          23
 Raw file had 423 H/Q atoms
  Entry Start of MODEL   23
    1   1H    MET   1           HT1      MET   1 -13.572   0.417   5.221
    2   2H    MET   1           HT3      MET   1 -14.473   1.267   4.060
    3   3H    MET   1           HT2      MET   1 -14.973  -0.277   4.560
    4    HA   MET   1           HA       MET   1 -13.518  -1.352   3.253
    5   1HB   MET   1           HB2      MET   1 -13.320   1.324   1.861
    6   2HB   MET   1           HB1      MET   1 -13.252  -0.275   1.130
    7   1HG   MET   1           HG2      MET   1 -15.591  -0.644   2.081
    8   2HG   MET   1           HG1      MET   1 -15.619   1.062   2.440
    9   1HE   MET   1           HE3      MET   1 -17.587   1.800   1.361
   10   2HE   MET   1           HE2      MET   1 -18.167   1.306  -0.229
   11   3HE   MET   1           HE1      MET   1 -18.022   0.117   1.066
   12    H    THR   2           HN       THR   2 -11.893  -1.339   5.067
   13    HA   THR   2           HA       THR   2  -9.549   0.406   4.530
   14    HB   THR   2           HB       THR   2  -9.756  -1.602   6.793
   15    HG1  THR   2           HG1      THR   2 -10.542   1.085   6.981
   16   1HG2  THR   2          HG23      THR   2  -7.654  -0.100   6.218
   17   2HG2  THR   2          HG22      THR   2  -8.650   1.207   6.852
   18   3HG2  THR   2          HG21      THR   2  -8.227  -0.157   7.883
   19    OH   TYR   3           OH       TYR   3 -11.592   0.444  -0.856
   20    H    TYR   3           HN       TYR   3  -7.895  -0.331   3.348
   21    HA   TYR   3           HA       TYR   3  -7.727  -3.266   2.833
   22   1HB   TYR   3           HB2      TYR   3  -6.121  -1.187   1.375
   23   2HB   TYR   3           HB1      TYR   3  -6.640  -2.767   0.813
   24    HD1  TYR   3           HD1      TYR   3  -7.867   0.627   1.707
   25    HD2  TYR   3           HD2      TYR   3  -8.759  -3.032  -0.262
   26    HE1  TYR   3           HE1      TYR   3  -9.878   1.639   0.738
   27    HE2  TYR   3           HE2      TYR   3 -10.770  -2.022  -1.232
   28    HH   TYR   3           HH       TYR   3 -12.305  -0.194  -0.792
   29    H    LYS   4           HN       LYS   4  -5.618  -4.275   2.848
   30    HA   LYS   4           HA       LYS   4  -3.850  -3.091   4.948
   31   1HB   LYS   4           HB2      LYS   4  -5.019  -5.507   4.974
   32   2HB   LYS   4           HB1      LYS   4  -3.579  -5.928   4.062
   33   1HG   LYS   4           HG2      LYS   4  -2.354  -4.560   5.981
   34   2HG   LYS   4           HG1      LYS   4  -3.805  -4.968   6.888
   35   1HD   LYS   4           HD2      LYS   4  -3.452  -7.378   6.201
   36   2HD   LYS   4           HD1      LYS   4  -1.897  -6.895   5.534
   37   1HE   LYS   4           HE2      LYS   4  -1.124  -6.151   7.709
   38   2HE   LYS   4           HE1      LYS   4  -2.720  -6.386   8.410
   39   1HZ   LYS   4           HZ1      LYS   4  -1.085  -8.564   7.240
   40   2HZ   LYS   4           HZ3      LYS   4  -1.133  -8.190   8.896
   41   3HZ   LYS   4           HZ2      LYS   4  -2.539  -8.725   8.105
   42    H    LEU   5           HN       LEU   5  -1.914  -2.336   4.299
   43    HA   LEU   5           HA       LEU   5  -1.002  -2.983   1.565
   44   1HB   LEU   5           HB2      LEU   5  -0.868  -0.649   2.159
   45   2HB   LEU   5           HB1      LEU   5  -0.057  -1.007   3.673
   46    HG   LEU   5           HG       LEU   5   1.928  -1.863   2.309
   47   1HD1  LEU   5          HD13      LEU   5   0.335  -0.609   0.051
   48   2HD1  LEU   5          HD12      LEU   5   2.007  -1.134  -0.068
   49   3HD1  LEU   5          HD11      LEU   5   0.735  -2.317   0.195
   50   1HD2  LEU   5          HD22      LEU   5   1.693   0.483   3.260
   51   2HD2  LEU   5          HD21      LEU   5   2.798   0.319   1.901
   52   3HD2  LEU   5          HD23      LEU   5   1.193   0.982   1.651
   53    H    ILE   6           HN       ILE   6   1.076  -3.826   1.129
   54    HA   ILE   6           HA       ILE   6   2.504  -5.094   3.385
   55    HB   ILE   6           HB       ILE   6   2.079  -6.397   0.686
   56   1HG1  ILE   6          HG12      ILE   6   0.612  -6.720   3.320
   57   2HG1  ILE   6          HG11      ILE   6  -0.080  -6.319   1.753
   58   1HG2  ILE   6          HG23      ILE   6   4.109  -6.962   2.190
   59   2HG2  ILE   6          HG22      ILE   6   2.933  -7.676   3.288
   60   3HG2  ILE   6          HG21      ILE   6   3.109  -8.307   1.654
   61   1HD1  ILE   6           HD2      ILE   6   0.884  -8.589   0.958
   62   2HD1  ILE   6           HD1      ILE   6   1.070  -8.961   2.669
   63   3HD1  ILE   6           HD3      ILE   6  -0.527  -8.637   2.007
   64    H    LEU   7           HN       LEU   7   4.287  -3.835   3.438
   65    HA   LEU   7           HA       LEU   7   5.485  -2.775   1.000
   66   1HB   LEU   7           HB2      LEU   7   6.236  -2.660   3.908
   67   2HB   LEU   7           HB1      LEU   7   7.263  -1.976   2.653
   68    HG   LEU   7           HG       LEU   7   4.350  -1.284   2.621
   69   1HD1  LEU   7          HD11      LEU   7   6.404  -0.180   4.563
   70   2HD1  LEU   7          HD13      LEU   7   4.896   0.644   4.177
   71   3HD1  LEU   7          HD12      LEU   7   4.862  -0.932   4.961
   72   1HD2  LEU   7          HD22      LEU   7   6.330  -0.585   0.996
   73   2HD2  LEU   7          HD21      LEU   7   5.097   0.589   1.445
   74   3HD2  LEU   7          HD23      LEU   7   6.661   0.600   2.256
   75    H    ASN   8           HN       ASN   8   6.623  -4.044  -0.309
   76    HA   ASN   8           HA       ASN   8   8.337  -6.162   0.903
   77   1HB   ASN   8           HB2      ASN   8   6.673  -5.971  -1.486
   78   2HB   ASN   8           HB1      ASN   8   8.287  -6.527  -1.865
   79   1HD2  ASN   8          HD22      ASN   8   5.808  -9.193  -0.547
   80   2HD2  ASN   8          HD21      ASN   8   5.455  -7.822  -1.474
   81    H    GLY   9           HN       GLY   9   9.135  -3.460   1.001
   82   1HA   GLY   9           HA2      GLY   9  10.796  -2.631  -1.142
   83   2HA   GLY   9           HA1      GLY   9  11.015  -2.132   0.528
   84    H    LYS  10           HN       LYS  10  12.879  -3.040  -1.694
   85    HA   LYS  10           HA       LYS  10  14.027  -5.552  -0.835
   86   1HB   LYS  10           HB2      LYS  10  14.930  -3.310  -2.624
   87   2HB   LYS  10           HB1      LYS  10  16.051  -4.591  -2.179
   88   1HG   LYS  10           HG2      LYS  10  14.459  -6.286  -3.024
   89   2HG   LYS  10           HG1      LYS  10  13.332  -5.007  -3.466
   90   1HD   LYS  10           HD2      LYS  10  15.421  -4.053  -4.785
   91   2HD   LYS  10           HD1      LYS  10  15.968  -5.724  -4.711
   92   1HE   LYS  10           HE2      LYS  10  13.492  -6.236  -5.508
   93   2HE   LYS  10           HE1      LYS  10  13.561  -4.577  -6.090
   94   1HZ   LYS  10           HZ3      LYS  10  15.918  -5.615  -6.913
   95   2HZ   LYS  10           HZ2      LYS  10  14.854  -6.926  -7.102
   96   3HZ   LYS  10           HZ1      LYS  10  14.525  -5.449  -7.872
   97    H    THR  11           HN       THR  11  14.467  -2.203  -0.013
   98    HA   THR  11           HA       THR  11  16.746  -2.878   1.765
   99    HB   THR  11           HB       THR  11  16.537  -0.214   2.058
  100    HG1  THR  11           HG1      THR  11  14.531  -0.392   0.818
  101   1HG2  THR  11          HG22      THR  11  17.488  -1.614  -0.471
  102   2HG2  THR  11          HG21      THR  11  17.849   0.065  -0.082
  103   3HG2  THR  11          HG23      THR  11  18.481  -1.229   0.931
  104    H    LEU  12           HN       LEU  12  13.421  -2.682   1.842
  105    HA   LEU  12           HA       LEU  12  13.394  -2.791   4.768
  106   1HB   LEU  12           HB2      LEU  12  13.433  -0.295   4.047
  107   2HB   LEU  12           HB1      LEU  12  11.770  -0.571   3.543
  108    HG   LEU  12           HG       LEU  12  11.663  -1.697   5.994
  109   1HD1  LEU  12          HD12      LEU  12  14.112  -1.076   6.327
  110   2HD1  LEU  12          HD11      LEU  12  13.603   0.610   6.326
  111   3HD1  LEU  12          HD13      LEU  12  13.021  -0.485   7.576
  112   1HD2  LEU  12          HD22      LEU  12  11.456   1.264   5.349
  113   2HD2  LEU  12          HD21      LEU  12  10.171   0.072   5.181
  114   3HD2  LEU  12          HD23      LEU  12  10.768   0.502   6.780
  115    H    LYS  13           HN       LYS  13  11.353  -3.460   5.608
  116    HA   LYS  13           HA       LYS  13   9.234  -4.096   3.628
  117   1HB   LYS  13           HB2      LYS  13  10.447  -6.171   5.473
  118   2HB   LYS  13           HB1      LYS  13   9.109  -6.432   4.361
  119   1HG   LYS  13           HG2      LYS  13  10.654  -5.720   2.482
  120   2HG   LYS  13           HG1      LYS  13  11.973  -5.730   3.647
  121   1HD   LYS  13           HD2      LYS  13  11.179  -8.149   4.195
  122   2HD   LYS  13           HD1      LYS  13  10.318  -8.053   2.663
  123   1HE   LYS  13           HE2      LYS  13  12.707  -7.130   1.841
  124   2HE   LYS  13           HE1      LYS  13  13.257  -8.121   3.186
  125   1HZ   LYS  13           HZ3      LYS  13  12.022  -9.989   2.234
  126   2HZ   LYS  13           HZ2      LYS  13  11.589  -9.023   0.907
  127   3HZ   LYS  13           HZ1      LYS  13  13.220  -9.408   1.181
  128    H    GLY  14           HN       GLY  14   7.180  -4.158   4.515
  129   1HA   GLY  14           HA2      GLY  14   6.677  -4.373   7.349
  130   2HA   GLY  14           HA1      GLY  14   6.641  -2.686   6.846
  131    H    GLU  15           HN       GLU  15   4.380  -2.750   7.494
  132    HA   GLU  15           HA       GLU  15   2.597  -3.096   5.283
  133   1HB   GLU  15           HB2      GLU  15   1.204  -4.943   6.284
  134   2HB   GLU  15           HB1      GLU  15   2.780  -5.471   5.707
  135   1HG   GLU  15           HG2      GLU  15   3.033  -4.566   8.433
  136   2HG   GLU  15           HG1      GLU  15   1.724  -5.741   8.333
  137    H    THR  16           HN       THR  16   0.653  -2.062   5.683
  138    HA   THR  16           HA       THR  16  -0.194  -1.506   8.440
  139    HB   THR  16           HB       THR  16   1.545   0.279   8.006
  140    HG1  THR  16           HG1      THR  16  -1.228   0.746   8.283
  141   1HG2  THR  16          HG21      THR  16   0.425   0.408   5.465
  142   2HG2  THR  16          HG23      THR  16  -0.331   1.769   6.284
  143   3HG2  THR  16          HG22      THR  16   1.423   1.668   6.179
  144    H    THR  17           HN       THR  17  -2.308  -0.508   8.532
  145    HA   THR  17           HA       THR  17  -3.839  -0.930   5.992
  146    HB   THR  17           HB       THR  17  -5.694  -1.647   7.308
  147    HG1  THR  17           HG1      THR  17  -4.304  -0.497   9.510
  148   1HG2  THR  17          HG23      THR  17  -3.274  -2.895   7.816
  149   2HG2  THR  17          HG22      THR  17  -3.782  -2.420   9.431
  150   3HG2  THR  17          HG21      THR  17  -4.820  -3.448   8.448
  151    H    THR  18           HN       THR  18  -5.178   0.634   5.224
  152    HA   THR  18           HA       THR  18  -5.443   3.157   6.808
  153    HB   THR  18           HB       THR  18  -3.664   3.197   4.858
  154    HG1  THR  18           HG1      THR  18  -5.129   4.880   6.063
  155   1HG2  THR  18          HG22      THR  18  -5.602   2.240   3.277
  156   2HG2  THR  18          HG21      THR  18  -6.099   3.927   3.251
  157   3HG2  THR  18          HG23      THR  18  -4.498   3.473   2.678
  158    H    GLU  19           HN       GLU  19  -7.337   4.376   6.357
  159    HA   GLU  19           HA       GLU  19  -9.539   2.705   5.283
  160   1HB   GLU  19           HB2      GLU  19 -10.016   3.665   7.422
  161   2HB   GLU  19           HB1      GLU  19  -9.481   5.257   6.899
  162   1HG   GLU  19           HG2      GLU  19 -11.680   3.950   5.342
  163   2HG   GLU  19           HG1      GLU  19 -12.076   4.611   6.927
  164    H    ALA  20           HN       ALA  20 -10.110   2.939   3.227
  165    HA   ALA  20           HA       ALA  20 -10.136   5.670   2.040
  166   1HB   ALA  20           HB3      ALA  20  -8.427   3.420   1.243
  167   2HB   ALA  20           HB2      ALA  20  -9.353   4.104  -0.089
  168   3HB   ALA  20           HB1      ALA  20  -8.280   5.132   0.856
  169    H    VAL  21           HN       VAL  21 -11.845   6.030   0.681
  170    HA   VAL  21           HA       VAL  21 -13.943   3.982   0.659
  171    HB   VAL  21           HB       VAL  21 -14.414   6.420   1.010
  172   1HG1  VAL  21          HG11      VAL  21 -12.722   7.135  -0.757
  173   2HG1  VAL  21          HG13      VAL  21 -13.904   6.653  -1.970
  174   3HG1  VAL  21          HG12      VAL  21 -14.280   7.950  -0.841
  175   1HG2  VAL  21          HG23      VAL  21 -15.763   4.558  -0.776
  176   2HG2  VAL  21          HG22      VAL  21 -16.460   5.682   0.386
  177   3HG2  VAL  21          HG21      VAL  21 -16.083   6.225  -1.245
  178    H    ASP  22           HN       ASP  22 -11.853   5.579  -1.716
  179    HA   ASP  22           HA       ASP  22 -12.796   3.601  -3.762
  180   1HB   ASP  22           HB2      ASP  22 -11.821   5.260  -5.421
  181   2HB   ASP  22           HB1      ASP  22 -13.238   5.826  -4.540
  182    H    ALA  23           HN       ALA  23 -11.003   3.193  -5.462
  183    HA   ALA  23           HA       ALA  23  -8.696   2.147  -3.972
  184   1HB   ALA  23           HB1      ALA  23  -9.694   1.868  -6.797
  185   2HB   ALA  23           HB3      ALA  23  -8.084   1.313  -6.353
  186   3HB   ALA  23           HB2      ALA  23  -9.500   0.619  -5.572
  187    H    ALA  24           HN       ALA  24  -9.249   4.402  -6.656
  188    HA   ALA  24           HA       ALA  24  -6.624   5.098  -7.275
  189   1HB   ALA  24           HB1      ALA  24  -9.098   6.825  -7.120
  190   2HB   ALA  24           HB3      ALA  24  -7.569   7.412  -7.764
  191   3HB   ALA  24           HB2      ALA  24  -8.399   6.072  -8.550
  192    H    THR  25           HN       THR  25  -8.642   6.513  -4.714
  193    HA   THR  25           HA       THR  25  -6.550   8.227  -3.728
  194    HB   THR  25           HB       THR  25  -9.025   8.543  -3.211
  195    HG1  THR  25           HG1      THR  25  -7.886   9.695  -1.829
  196   1HG2  THR  25          HG22      THR  25  -9.297   6.050  -2.516
  197   2HG2  THR  25          HG21      THR  25  -8.481   6.514  -1.030
  198   3HG2  THR  25          HG23      THR  25 -10.020   7.252  -1.458
  199    H    ALA  26           HN       ALA  26  -7.568   4.926  -2.964
  200    HA   ALA  26           HA       ALA  26  -5.933   4.589  -0.642
  201   1HB   ALA  26           HB1      ALA  26  -7.689   2.968  -1.343
  202   2HB   ALA  26           HB3      ALA  26  -6.679   2.495  -2.706
  203   3HB   ALA  26           HB2      ALA  26  -6.141   2.179  -1.060
  204    H    GLU  27           HN       GLU  27  -5.234   4.376  -4.079
  205    HA   GLU  27           HA       GLU  27  -2.630   3.205  -3.858
  206   1HB   GLU  27           HB2      GLU  27  -3.851   5.018  -5.950
  207   2HB   GLU  27           HB1      GLU  27  -2.292   4.230  -6.132
  208   1HG   GLU  27           HG2      GLU  27  -3.388   2.020  -5.817
  209   2HG   GLU  27           HG1      GLU  27  -4.947   2.830  -5.701
  210    H    LYS  28           HN       LYS  28  -3.782   6.533  -3.798
  211    HA   LYS  28           HA       LYS  28  -1.081   7.646  -3.696
  212   1HB   LYS  28           HB2      LYS  28  -2.285   9.376  -4.510
  213   2HB   LYS  28           HB1      LYS  28  -3.795   8.628  -4.027
  214   1HG   LYS  28           HG2      LYS  28  -3.580   9.552  -1.763
  215   2HG   LYS  28           HG1      LYS  28  -1.990  10.212  -2.156
  216   1HD   LYS  28           HD2      LYS  28  -2.929  11.742  -3.745
  217   2HD   LYS  28           HD1      LYS  28  -4.489  10.931  -3.707
  218   1HE   LYS  28           HE2      LYS  28  -5.142  12.056  -1.849
  219   2HE   LYS  28           HE1      LYS  28  -3.599  11.782  -1.047
  220   1HZ   LYS  28           HZ2      LYS  28  -4.110  13.843  -3.119
  221   2HZ   LYS  28           HZ1      LYS  28  -4.012  14.128  -1.447
  222   3HZ   LYS  28           HZ3      LYS  28  -2.644  13.592  -2.298
  223    H    VAL  29           HN       VAL  29  -3.720   7.175  -1.378
  224    HA   VAL  29           HA       VAL  29  -2.551   8.416   0.867
  225    HB   VAL  29           HB       VAL  29  -4.346   5.985   0.697
  226   1HG1  VAL  29          HG11      VAL  29  -3.323   7.579   3.056
  227   2HG1  VAL  29          HG13      VAL  29  -4.841   6.689   3.135
  228   3HG1  VAL  29          HG12      VAL  29  -3.331   5.831   2.846
  229   1HG2  VAL  29          HG22      VAL  29  -5.029   8.392  -0.093
  230   2HG2  VAL  29          HG21      VAL  29  -6.123   7.505   0.965
  231   3HG2  VAL  29          HG23      VAL  29  -5.078   8.757   1.630
  232    H    PHE  30           HN       PHE  30  -2.392   4.968  -0.016
  233    HA   PHE  30           HA       PHE  30  -0.529   4.282   2.029
  234   1HB   PHE  30           HB2      PHE  30  -1.417   3.027  -0.537
  235   2HB   PHE  30           HB1      PHE  30   0.037   2.400   0.224
  236    HD1  PHE  30           HD1      PHE  30  -0.296   2.201   2.973
  237    HD2  PHE  30           HD2      PHE  30  -3.378   1.896   0.041
  238    HE1  PHE  30           HE1      PHE  30  -1.700   0.960   4.563
  239    HE2  PHE  30           HE2      PHE  30  -4.748   0.640   1.635
  240    HZ   PHE  30           HZ       PHE  30  -3.910   0.142   3.883
  241    H    LYS  31           HN       LYS  31  -0.043   5.274  -1.342
  242    HA   LYS  31           HA       LYS  31   2.775   4.970  -1.425
  243   1HB   LYS  31           HB2      LYS  31   1.260   5.554  -3.369
  244   2HB   LYS  31           HB1      LYS  31   1.231   7.206  -2.759
  245   1HG   LYS  31           HG2      LYS  31   3.904   6.785  -2.750
  246   2HG   LYS  31           HG1      LYS  31   3.453   5.695  -4.055
  247   1HD   LYS  31           HD2      LYS  31   2.113   7.636  -5.040
  248   2HD   LYS  31           HD1      LYS  31   2.913   8.670  -3.860
  249   1HE   LYS  31           HE2      LYS  31   5.105   8.064  -4.748
  250   2HE   LYS  31           HE1      LYS  31   4.376   6.900  -5.846
  251   1HZ   LYS  31           HZ1      LYS  31   3.094   9.305  -6.297
  252   2HZ   LYS  31           HZ3      LYS  31   4.748   9.674  -6.193
  253   3HZ   LYS  31           HZ2      LYS  31   4.205   8.518  -7.314
  254    H    GLN  32           HN       GLN  32   0.763   7.457  -0.017
  255    HA   GLN  32           HA       GLN  32   2.819   9.392   0.457
  256   1HB   GLN  32           HB2      GLN  32   0.303   9.725   0.711
  257   2HB   GLN  32           HB1      GLN  32   0.435   8.884   2.251
  258   1HG   GLN  32           HG2      GLN  32   2.484  10.703   2.452
  259   2HG   GLN  32           HG1      GLN  32   1.296  11.615   1.525
  260   1HE2  GLN  32          HE22      GLN  32   0.490  10.580   5.404
  261   2HE2  GLN  32          HE21      GLN  32   1.791   9.861   4.586
  262    OH   TYR  33           OH       TYR  33   5.106   2.474   8.469
  263    H    TYR  33           HN       TYR  33   1.755   6.530   2.175
  264    HA   TYR  33           HA       TYR  33   3.352   6.962   4.541
  265   1HB   TYR  33           HB2      TYR  33   1.437   5.398   4.510
  266   2HB   TYR  33           HB1      TYR  33   2.299   4.377   3.362
  267    HD1  TYR  33           HD1      TYR  33   4.444   3.270   4.063
  268    HD2  TYR  33           HD2      TYR  33   1.984   5.329   6.855
  269    HE1  TYR  33           HE1      TYR  33   5.604   2.152   5.908
  270    HE2  TYR  33           HE2      TYR  33   3.145   4.209   8.703
  271    HH   TYR  33           HH       TYR  33   5.152   3.088   9.206
  272    H    ALA  34           HN       ALA  34   3.776   4.599   1.922
  273    HA   ALA  34           HA       ALA  34   6.341   3.709   2.482
  274   1HB   ALA  34           HB3      ALA  34   4.663   3.861   0.122
  275   2HB   ALA  34           HB2      ALA  34   6.359   4.076  -0.300
  276   3HB   ALA  34           HB1      ALA  34   5.843   2.632   0.566
  277    H    ASN  35           HN       ASN  35   5.392   6.789   1.124
  278    HA   ASN  35           HA       ASN  35   7.906   7.692   0.178
  279   1HB   ASN  35           HB2      ASN  35   5.640   8.839  -0.066
  280   2HB   ASN  35           HB1      ASN  35   5.878   9.451   1.568
  281   1HD2  ASN  35          HD22      ASN  35   7.682  12.162   0.258
  282   2HD2  ASN  35          HD21      ASN  35   6.457  11.613   1.296
  283    H    ASP  36           HN       ASP  36   6.502   7.781   3.417
  284    HA   ASP  36           HA       ASP  36   8.736   9.215   4.589
  285   1HB   ASP  36           HB2      ASP  36   6.364   7.718   5.668
  286   2HB   ASP  36           HB1      ASP  36   7.657   8.216   6.757
  287    H    ASN  37           HN       ASN  37   9.000   6.515   3.085
  288    HA   ASN  37           HA       ASN  37  10.925   5.351   5.042
  289   1HB   ASN  37           HB2      ASN  37   8.938   3.754   3.402
  290   2HB   ASN  37           HB1      ASN  37  10.188   3.075   4.440
  291   1HD2  ASN  37          HD22      ASN  37   6.740   4.480   6.066
  292   2HD2  ASN  37          HD21      ASN  37   7.029   4.577   4.397
  293    H    GLY  38           HN       GLY  38   9.878   5.792   1.733
  294   1HA   GLY  38           HA2      GLY  38  11.453   6.218  -0.061
  295   2HA   GLY  38           HA1      GLY  38  12.684   5.351   0.855
  296    H    VAL  39           HN       VAL  39   9.392   4.583  -0.268
  297    HA   VAL  39           HA       VAL  39  10.515   2.229  -1.720
  298    HB   VAL  39           HB       VAL  39   8.096   2.158   0.107
  299   1HG1  VAL  39          HG13      VAL  39   9.482   0.041  -1.577
  300   2HG1  VAL  39          HG12      VAL  39   8.236  -0.306  -0.382
  301   3HG1  VAL  39          HG11      VAL  39   7.847   0.654  -1.806
  302   1HG2  VAL  39          HG22      VAL  39  10.949   1.178   0.380
  303   2HG2  VAL  39          HG21      VAL  39  10.036   2.185   1.498
  304   3HG2  VAL  39          HG23      VAL  39   9.636   0.479   1.323
  305    H    ASP  40           HN       ASP  40  10.142   3.202  -3.711
  306    HA   ASP  40           HA       ASP  40   7.277   3.330  -4.500
  307   1HB   ASP  40           HB2      ASP  40   9.280   5.556  -4.654
  308   2HB   ASP  40           HB1      ASP  40   8.045   5.428  -5.903
  309    H    GLY  41           HN       GLY  41   7.100   1.907  -6.111
  310   1HA   GLY  41           HA2      GLY  41   8.736   2.140  -8.499
  311   2HA   GLY  41           HA1      GLY  41   9.129   0.692  -7.574
  312    H    GLU  42           HN       GLU  42   7.501  -0.906  -7.279
  313    HA   GLU  42           HA       GLU  42   5.384  -0.822  -9.391
  314   1HB   GLU  42           HB2      GLU  42   6.474  -3.225  -7.928
  315   2HB   GLU  42           HB1      GLU  42   5.451  -3.235  -9.358
  316   1HG   GLU  42           HG2      GLU  42   7.464  -1.694 -10.288
  317   2HG   GLU  42           HG1      GLU  42   8.368  -2.652  -9.117
  318    CH2  TRP  43           CH2      TRP  43   2.078   2.432  -2.080
  319    H    TRP  43           HN       TRP  43   3.294  -0.869  -8.805
  320    HA   TRP  43           HA       TRP  43   2.662  -1.411  -5.924
  321   1HB   TRP  43           HB2      TRP  43   1.682   0.694  -7.825
  322   2HB   TRP  43           HB1      TRP  43   0.689   0.201  -6.464
  323    HD1  TRP  43           HD1      TRP  43   4.299   1.384  -7.185
  324    HE1  TRP  43           HE1      TRP  43   5.047   2.682  -5.132
  325    HE3  TRP  43           HE3      TRP  43   0.307   0.661  -4.311
  326    HZ2  TRP  43           HZ2      TRP  43   4.016   3.260  -2.413
  327    HZ3  TRP  43           HZ3      TRP  43   0.163   1.498  -2.023
  328    HH2  TRP  43           HH2      TRP  43   2.011   2.797  -1.067
  329    H    THR  44           HN       THR  44   1.180  -2.918  -5.522
  330    HA   THR  44           HA       THR  44  -0.477  -3.920  -7.809
  331    HB   THR  44           HB       THR  44  -0.413  -6.137  -6.401
  332    HG1  THR  44           HG1      THR  44   1.271  -6.139  -4.954
  333   1HG2  THR  44          HG23      THR  44   2.006  -4.955  -7.809
  334   2HG2  THR  44          HG22      THR  44   1.981  -6.611  -7.210
  335   3HG2  THR  44          HG21      THR  44   0.854  -6.112  -8.468
  336    OH   TYR  45           OH       TYR  45  -8.922  -1.235  -3.087
  337    H    TYR  45           HN       TYR  45  -2.466  -5.075  -7.069
  338    HA   TYR  45           HA       TYR  45  -3.623  -3.973  -4.554
  339   1HB   TYR  45           HB2      TYR  45  -4.118  -2.551  -6.671
  340   2HB   TYR  45           HB1      TYR  45  -5.147  -3.894  -7.171
  341    HD1  TYR  45           HD1      TYR  45  -6.670  -4.723  -4.852
  342    HD2  TYR  45           HD2      TYR  45  -5.367  -0.802  -5.837
  343    HE1  TYR  45           HE1      TYR  45  -8.427  -3.788  -3.447
  344    HE2  TYR  45           HE2      TYR  45  -7.164   0.135  -4.472
  345    HH   TYR  45           HH       TYR  45  -9.593  -1.911  -2.972
  346    H    ASP  46           HN       ASP  46  -4.661  -5.555  -3.477
  347    HA   ASP  46           HA       ASP  46  -5.415  -8.035  -4.977
  348   1HB   ASP  46           HB2      ASP  46  -3.696  -8.079  -3.028
  349   2HB   ASP  46           HB1      ASP  46  -5.102  -7.877  -1.986
  350    H    ASP  47           HN       ASP  47  -7.385  -6.709  -5.543
  351    HA   ASP  47           HA       ASP  47  -9.298  -5.963  -3.548
  352   1HB   ASP  47           HB2      ASP  47  -9.241  -5.334  -6.050
  353   2HB   ASP  47           HB1      ASP  47 -10.036  -6.883  -6.325
  354    H    ALA  48           HN       ALA  48  -8.230  -8.999  -4.511
  355    HA   ALA  48           HA       ALA  48 -10.699 -10.484  -4.238
  356   1HB   ALA  48           HB3      ALA  48  -8.113 -11.070  -5.062
  357   2HB   ALA  48           HB2      ALA  48  -8.276 -11.968  -3.556
  358   3HB   ALA  48           HB1      ALA  48  -9.418 -12.236  -4.870
  359    H    THR  49           HN       THR  49  -8.487  -9.093  -2.019
  360    HA   THR  49           HA       THR  49 -10.070 -10.207   0.224
  361    HB   THR  49           HB       THR  49  -7.945 -10.794   1.473
  362    HG1  THR  49           HG1      THR  49  -6.121 -10.288   0.491
  363   1HG2  THR  49          HG23      THR  49  -9.205 -12.459  -0.153
  364   2HG2  THR  49          HG22      THR  49  -7.827 -12.173  -1.211
  365   3HG2  THR  49          HG21      THR  49  -7.580 -12.868   0.387
  366    H    LYS  50           HN       LYS  50  -9.272  -7.570  -1.229
  367    HA   LYS  50           HA       LYS  50  -8.920  -5.339  -0.593
  368   1HB   LYS  50           HB2      LYS  50  -9.890  -6.369   2.080
  369   2HB   LYS  50           HB1      LYS  50  -9.879  -4.691   1.564
  370   1HG   LYS  50           HG2      LYS  50 -11.859  -4.956   0.505
  371   2HG   LYS  50           HG1      LYS  50 -11.185  -6.254  -0.468
  372   1HD   LYS  50           HD2      LYS  50 -13.012  -7.259   0.680
  373   2HD   LYS  50           HD1      LYS  50 -11.599  -7.789   1.575
  374   1HE   LYS  50           HE2      LYS  50 -13.227  -5.338   2.337
  375   2HE   LYS  50           HE1      LYS  50 -13.525  -6.936   3.004
  376   1HZ   LYS  50           HZ3      LYS  50 -11.062  -6.885   3.604
  377   2HZ   LYS  50           HZ2      LYS  50 -11.167  -5.210   3.348
  378   3HZ   LYS  50           HZ1      LYS  50 -12.134  -5.949   4.532
  379    H    THR  51           HN       THR  51  -6.600  -6.364  -0.801
  380    HA   THR  51           HA       THR  51  -5.105  -5.449   1.608
  381    HB   THR  51           HB       THR  51  -4.997  -8.192   0.353
  382    HG1  THR  51           HG1      THR  51  -5.905  -7.178   2.485
  383   1HG2  THR  51          HG22      THR  51  -2.716  -6.657   1.611
  384   2HG2  THR  51          HG21      THR  51  -2.841  -8.397   1.803
  385   3HG2  THR  51          HG23      THR  51  -2.664  -7.697   0.197
  386    H    PHE  52           HN       PHE  52  -3.799  -3.836   0.877
  387    HA   PHE  52           HA       PHE  52  -3.079  -3.675  -1.945
  388   1HB   PHE  52           HB2      PHE  52  -3.088  -1.916   0.345
  389   2HB   PHE  52           HB1      PHE  52  -1.557  -1.821  -0.514
  390    HD1  PHE  52           HD1      PHE  52  -1.530  -1.205  -2.951
  391    HD2  PHE  52           HD2      PHE  52  -5.118  -1.181  -0.697
  392    HE1  PHE  52           HE1      PHE  52  -2.653   0.089  -4.722
  393    HE2  PHE  52           HE2      PHE  52  -6.187   0.230  -2.371
  394    HZ   PHE  52           HZ       PHE  52  -4.945   0.900  -4.375
  395    H    THR  53           HN       THR  53  -0.805  -3.484  -2.632
  396    HA   THR  53           HA       THR  53   1.246  -4.503  -0.804
  397    HB   THR  53           HB       THR  53   0.420  -6.138  -3.235
  398    HG1  THR  53           HG1      THR  53  -0.863  -6.203  -1.267
  399   1HG2  THR  53          HG22      THR  53   2.905  -5.979  -1.756
  400   2HG2  THR  53          HG21      THR  53   2.113  -7.509  -1.395
  401   3HG2  THR  53          HG23      THR  53   2.493  -7.086  -3.062
  402    H    VAL  54           HN       VAL  54   3.240  -3.816  -1.400
  403    HA   VAL  54           HA       VAL  54   3.610  -2.793  -4.175
  404    HB   VAL  54           HB       VAL  54   2.956  -0.902  -2.639
  405   1HG1  VAL  54          HG11      VAL  54   4.118  -1.958  -0.654
  406   2HG1  VAL  54          HG13      VAL  54   5.644  -1.425  -1.351
  407   3HG1  VAL  54          HG12      VAL  54   4.431  -0.243  -0.870
  408   1HG2  VAL  54          HG22      VAL  54   5.731  -0.950  -3.853
  409   2HG2  VAL  54          HG21      VAL  54   4.260  -0.302  -4.552
  410   3HG2  VAL  54          HG23      VAL  54   5.013   0.509  -3.191
  411    H    THR  55           HN       THR  55   5.769  -2.828  -4.863
  412    HA   THR  55           HA       THR  55   7.789  -3.959  -2.998
  413    HB   THR  55           HB       THR  55   7.094  -5.282  -5.658
  414    HG1  THR  55           HG1      THR  55   5.753  -5.378  -3.577
  415   1HG2  THR  55          HG23      THR  55   9.315  -5.545  -3.701
  416   2HG2  THR  55          HG22      THR  55   8.507  -7.055  -4.112
  417   3HG2  THR  55          HG21      THR  55   9.241  -6.076  -5.374
  418    H    GLU  56           HN       GLU  56   9.485  -2.600  -3.212
  419    HA   GLU  56           HA       GLU  56   9.870  -0.849  -5.451
  420   1HB   GLU  56           HB2      GLU  56  10.998  -1.149  -2.913
  421   2HB   GLU  56           HB1      GLU  56  12.333  -1.436  -4.017
  422   1HG   GLU  56           HG2      GLU  56  10.474   0.967  -4.093
  423   2HG   GLU  56           HG1      GLU  56  12.126   0.974  -3.484
   
  Start of MODEL          24
 Raw file had 423 H/Q atoms
  Entry Start of MODEL   24
    1   1H    MET   1           HT1      MET   1 -13.742   0.016   5.995
    2   2H    MET   1           HT3      MET   1 -14.981  -0.422   4.918
    3   3H    MET   1           HT2      MET   1 -13.561  -1.349   5.001
    4    HA   MET   1           HA       MET   1 -13.420  -0.038   3.051
    5   1HB   MET   1           HB2      MET   1 -13.490   2.472   3.253
    6   2HB   MET   1           HB1      MET   1 -15.039   1.686   3.539
    7   1HG   MET   1           HG2      MET   1 -14.583   1.745   5.978
    8   2HG   MET   1           HG1      MET   1 -13.085   2.580   5.668
    9   1HE   MET   1           HE2      MET   1 -13.066   4.637   4.123
   10   2HE   MET   1           HE1      MET   1 -14.551   4.560   3.174
   11   3HE   MET   1           HE3      MET   1 -14.243   5.947   4.218
   12    H    THR   2           HN       THR   2 -11.617  -1.265   4.663
   13    HA   THR   2           HA       THR   2  -9.334   0.646   4.566
   14    HB   THR   2           HB       THR   2  -9.710  -1.272   6.893
   15    HG1  THR   2           HG1      THR   2 -10.555   1.371   6.344
   16   1HG2  THR   2          HG23      THR   2  -7.459   0.052   6.142
   17   2HG2  THR   2          HG22      THR   2  -8.270   1.340   7.025
   18   3HG2  THR   2          HG21      THR   2  -7.889  -0.176   7.834
   19    OH   TYR   3           OH       TYR   3 -11.607   0.423  -0.856
   20    H    TYR   3           HN       TYR   3  -7.797  -0.205   3.311
   21    HA   TYR   3           HA       TYR   3  -7.751  -3.161   2.926
   22   1HB   TYR   3           HB2      TYR   3  -6.112  -1.200   1.341
   23   2HB   TYR   3           HB1      TYR   3  -6.677  -2.792   0.867
   24    HD1  TYR   3           HD1      TYR   3  -7.886   0.637   1.714
   25    HD2  TYR   3           HD2      TYR   3  -8.754  -3.034  -0.240
   26    HE1  TYR   3           HE1      TYR   3  -9.905   1.632   0.740
   27    HE2  TYR   3           HE2      TYR   3 -10.769  -2.041  -1.219
   28    HH   TYR   3           HH       TYR   3 -12.354   0.187  -0.301
   29    H    LYS   4           HN       LYS   4  -5.610  -4.197   2.783
   30    HA   LYS   4           HA       LYS   4  -3.799  -3.110   4.902
   31   1HB   LYS   4           HB2      LYS   4  -5.000  -5.510   4.856
   32   2HB   LYS   4           HB1      LYS   4  -3.579  -5.914   3.906
   33   1HG   LYS   4           HG2      LYS   4  -2.180  -4.856   5.758
   34   2HG   LYS   4           HG1      LYS   4  -3.651  -4.799   6.718
   35   1HD   LYS   4           HD2      LYS   4  -3.881  -7.186   6.693
   36   2HD   LYS   4           HD1      LYS   4  -2.640  -7.359   5.456
   37   1HE   LYS   4           HE2      LYS   4  -0.898  -6.863   6.946
   38   2HE   LYS   4           HE1      LYS   4  -1.964  -6.028   8.068
   39   1HZ   LYS   4           HZ1      LYS   4  -2.578  -8.819   7.638
   40   2HZ   LYS   4           HZ3      LYS   4  -1.092  -8.522   8.403
   41   3HZ   LYS   4           HZ2      LYS   4  -2.530  -7.922   9.079
   42    H    LEU   5           HN       LEU   5  -1.875  -2.329   4.228
   43    HA   LEU   5           HA       LEU   5  -0.999  -2.926   1.473
   44   1HB   LEU   5           HB2      LEU   5  -0.844  -0.602   2.098
   45   2HB   LEU   5           HB1      LEU   5  -0.023  -0.987   3.603
   46    HG   LEU   5           HG       LEU   5   1.947  -1.834   2.214
   47   1HD1  LEU   5          HD12      LEU   5   0.355  -0.546  -0.027
   48   2HD1  LEU   5          HD11      LEU   5   2.021  -1.092  -0.157
   49   3HD1  LEU   5          HD13      LEU   5   0.733  -2.260   0.101
   50   1HD2  LEU   5          HD22      LEU   5   1.731   0.502   3.189
   51   2HD2  LEU   5          HD21      LEU   5   2.819   0.355   1.813
   52   3HD2  LEU   5          HD23      LEU   5   1.207   1.024   1.594
   53    H    ILE   6           HN       ILE   6   1.053  -3.798   0.992
   54    HA   ILE   6           HA       ILE   6   2.474  -5.140   3.214
   55    HB   ILE   6           HB       ILE   6   1.939  -6.306   0.475
   56   1HG1  ILE   6          HG12      ILE   6   0.876  -7.135   3.195
   57   2HG1  ILE   6          HG11      ILE   6  -0.047  -6.205   2.021
   58   1HG2  ILE   6          HG22      ILE   6   3.909  -6.873   2.496
   59   2HG2  ILE   6          HG21      ILE   6   2.792  -8.230   2.388
   60   3HG2  ILE   6          HG23      ILE   6   3.659  -7.687   0.955
   61   1HD1  ILE   6           HD1      ILE   6   1.136  -8.527   0.750
   62   2HD1  ILE   6           HD3      ILE   6   0.186  -9.015   2.149
   63   3HD1  ILE   6           HD2      ILE   6  -0.560  -8.076   0.862
   64    H    LEU   7           HN       LEU   7   4.251  -3.885   3.335
   65    HA   LEU   7           HA       LEU   7   5.500  -2.765   0.951
   66   1HB   LEU   7           HB2      LEU   7   6.202  -2.744   3.877
   67   2HB   LEU   7           HB1      LEU   7   7.259  -2.037   2.659
   68    HG   LEU   7           HG       LEU   7   4.389  -1.280   2.481
   69   1HD1  LEU   7          HD13      LEU   7   6.216  -0.310   4.706
   70   2HD1  LEU   7          HD12      LEU   7   4.684   0.441   4.272
   71   3HD1  LEU   7          HD11      LEU   7   4.711  -1.200   4.911
   72   1HD2  LEU   7          HD21      LEU   7   6.419  -0.452   1.089
   73   2HD2  LEU   7          HD23      LEU   7   5.305   0.765   1.701
   74   3HD2  LEU   7          HD22      LEU   7   6.840   0.488   2.517
   75    H    ASN   8           HN       ASN   8   6.672  -3.989  -0.375
   76    HA   ASN   8           HA       ASN   8   8.327  -6.172   0.804
   77   1HB   ASN   8           HB2      ASN   8   6.781  -5.845  -1.646
   78   2HB   ASN   8           HB1      ASN   8   8.415  -6.375  -1.985
   79   1HD2  ASN   8          HD22      ASN   8   5.867  -9.094  -0.868
   80   2HD2  ASN   8          HD21      ASN   8   5.525  -7.660  -1.697
   81    H    GLY   9           HN       GLY   9   9.179  -3.541   1.162
   82   1HA   GLY   9           HA2      GLY   9  10.918  -2.509  -0.817
   83   2HA   GLY   9           HA1      GLY   9  11.104  -2.220   0.906
   84    H    LYS  10           HN       LYS  10  13.060  -2.817  -1.290
   85    HA   LYS  10           HA       LYS  10  14.131  -5.440  -0.990
   86   1HB   LYS  10           HB2      LYS  10  14.740  -3.370  -2.589
   87   2HB   LYS  10           HB1      LYS  10  16.023  -3.180  -1.398
   88   1HG   LYS  10           HG2      LYS  10  16.477  -5.686  -1.701
   89   2HG   LYS  10           HG1      LYS  10  15.423  -5.607  -3.108
   90   1HD   LYS  10           HD2      LYS  10  16.972  -3.513  -3.700
   91   2HD   LYS  10           HD1      LYS  10  18.122  -4.380  -2.688
   92   1HE   LYS  10           HE2      LYS  10  18.467  -5.166  -4.934
   93   2HE   LYS  10           HE1      LYS  10  17.616  -6.450  -4.083
   94   1HZ   LYS  10           HZ2      LYS  10  15.530  -5.270  -4.991
   95   2HZ   LYS  10           HZ1      LYS  10  16.603  -4.586  -6.114
   96   3HZ   LYS  10           HZ3      LYS  10  16.434  -6.273  -6.021
   97    H    THR  11           HN       THR  11  15.191  -2.409   0.543
   98    HA   THR  11           HA       THR  11  16.696  -3.986   2.542
   99    HB   THR  11           HB       THR  11  17.230  -1.450   3.266
  100    HG1  THR  11           HG1      THR  11  16.406  -0.125   1.836
  101   1HG2  THR  11          HG23      THR  11  18.866  -3.076   2.183
  102   2HG2  THR  11          HG22      THR  11  18.233  -2.568   0.621
  103   3HG2  THR  11          HG21      THR  11  19.067  -1.410   1.652
  104    H    LEU  12           HN       LEU  12  13.590  -3.106   2.227
  105    HA   LEU  12           HA       LEU  12  13.196  -3.108   5.161
  106   1HB   LEU  12           HB2      LEU  12  13.401  -0.689   4.280
  107   2HB   LEU  12           HB1      LEU  12  11.834  -0.971   3.530
  108    HG   LEU  12           HG       LEU  12  11.380  -1.924   6.058
  109   1HD1  LEU  12          HD13      LEU  12  13.746  -1.006   6.593
  110   2HD1  LEU  12          HD12      LEU  12  13.013   0.589   6.463
  111   3HD1  LEU  12          HD11      LEU  12  12.439  -0.547   7.680
  112   1HD2  LEU  12          HD21      LEU  12  11.036   0.822   4.840
  113   2HD2  LEU  12          HD23      LEU  12   9.829  -0.445   5.025
  114   3HD2  LEU  12          HD22      LEU  12  10.398   0.441   6.436
  115    H    LYS  13           HN       LYS  13  11.162  -3.838   5.793
  116    HA   LYS  13           HA       LYS  13   9.144  -4.396   3.712
  117   1HB   LYS  13           HB2      LYS  13  10.536  -6.547   5.317
  118   2HB   LYS  13           HB1      LYS  13   9.000  -6.809   4.503
  119   1HG   LYS  13           HG2      LYS  13  10.113  -6.035   2.357
  120   2HG   LYS  13           HG1      LYS  13  11.645  -6.049   3.224
  121   1HD   LYS  13           HD2      LYS  13  11.427  -8.424   3.688
  122   2HD   LYS  13           HD1      LYS  13   9.801  -8.448   3.015
  123   1HE   LYS  13           HE2      LYS  13  11.644  -9.277   1.455
  124   2HE   LYS  13           HE1      LYS  13  10.613  -8.011   0.800
  125   1HZ   LYS  13           HZ2      LYS  13  12.852  -6.957   2.224
  126   2HZ   LYS  13           HZ1      LYS  13  13.328  -7.960   0.938
  127   3HZ   LYS  13           HZ3      LYS  13  12.317  -6.627   0.646
  128    H    GLY  14           HN       GLY  14   7.122  -4.177   4.519
  129   1HA   GLY  14           HA2      GLY  14   6.539  -4.753   7.326
  130   2HA   GLY  14           HA1      GLY  14   6.505  -3.035   6.945
  131    H    GLU  15           HN       GLU  15   4.258  -3.036   7.469
  132    HA   GLU  15           HA       GLU  15   2.525  -3.320   5.216
  133   1HB   GLU  15           HB2      GLU  15   1.048  -5.130   6.322
  134   2HB   GLU  15           HB1      GLU  15   2.515  -5.670   5.512
  135   1HG   GLU  15           HG2      GLU  15   3.710  -5.784   7.636
  136   2HG   GLU  15           HG1      GLU  15   2.343  -5.073   8.486
  137    H    THR  16           HN       THR  16   0.826  -1.990   5.541
  138    HA   THR  16           HA       THR  16  -0.106  -1.482   8.311
  139    HB   THR  16           HB       THR  16   1.452   0.320   8.168
  140    HG1  THR  16           HG1      THR  16  -0.970   0.741   8.362
  141   1HG2  THR  16          HG21      THR  16   0.482   0.545   5.302
  142   2HG2  THR  16          HG23      THR  16   1.369   1.841   6.097
  143   3HG2  THR  16          HG22      THR  16   2.133   0.273   5.845
  144    H    THR  17           HN       THR  17  -2.198  -0.533   8.417
  145    HA   THR  17           HA       THR  17  -3.764  -0.934   5.901
  146    HB   THR  17           HB       THR  17  -5.617  -1.559   7.259
  147    HG1  THR  17           HG1      THR  17  -5.915  -0.219   8.869
  148   1HG2  THR  17          HG22      THR  17  -3.201  -2.829   7.837
  149   2HG2  THR  17          HG21      THR  17  -3.763  -2.317   9.422
  150   3HG2  THR  17          HG23      THR  17  -4.773  -3.354   8.421
  151    H    THR  18           HN       THR  18  -5.100   0.657   5.127
  152    HA   THR  18           HA       THR  18  -5.144   3.252   6.618
  153    HB   THR  18           HB       THR  18  -3.528   3.109   4.533
  154    HG1  THR  18           HG1      THR  18  -4.116   5.017   5.578
  155   1HG2  THR  18          HG22      THR  18  -5.614   2.194   3.148
  156   2HG2  THR  18          HG21      THR  18  -6.066   3.894   3.113
  157   3HG2  THR  18          HG23      THR  18  -4.534   3.377   2.418
  158    H    GLU  19           HN       GLU  19  -7.030   4.440   6.450
  159    HA   GLU  19           HA       GLU  19  -9.395   2.905   5.616
  160   1HB   GLU  19           HB2      GLU  19  -9.151   5.665   6.843
  161   2HB   GLU  19           HB1      GLU  19 -10.657   4.784   6.612
  162   1HG   GLU  19           HG2      GLU  19  -9.883   2.993   8.092
  163   2HG   GLU  19           HG1      GLU  19  -8.308   3.767   8.250
  164    H    ALA  20           HN       ALA  20  -9.952   2.936   3.533
  165    HA   ALA  20           HA       ALA  20 -10.071   5.567   2.144
  166   1HB   ALA  20           HB1      ALA  20  -8.377   3.261   1.439
  167   2HB   ALA  20           HB3      ALA  20  -9.328   3.900   0.102
  168   3HB   ALA  20           HB2      ALA  20  -8.220   4.951   0.977
  169    H    VAL  21           HN       VAL  21 -11.737   5.742   0.651
  170    HA   VAL  21           HA       VAL  21 -13.828   3.671   0.900
  171    HB   VAL  21           HB       VAL  21 -14.378   6.094   1.147
  172   1HG1  VAL  21          HG12      VAL  21 -12.690   6.689  -0.743
  173   2HG1  VAL  21          HG11      VAL  21 -14.007   6.296  -1.843
  174   3HG1  VAL  21          HG13      VAL  21 -14.197   7.597  -0.672
  175   1HG2  VAL  21          HG21      VAL  21 -16.093   4.440   0.431
  176   2HG2  VAL  21          HG23      VAL  21 -16.377   6.018  -0.298
  177   3HG2  VAL  21          HG22      VAL  21 -15.653   4.727  -1.250
  178    H    ASP  22           HN       ASP  22 -12.001   5.303  -1.675
  179    HA   ASP  22           HA       ASP  22 -12.861   3.135  -3.554
  180   1HB   ASP  22           HB2      ASP  22 -12.086   4.819  -5.327
  181   2HB   ASP  22           HB1      ASP  22 -13.558   5.224  -4.448
  182    H    ALA  23           HN       ALA  23 -11.213   2.553  -5.206
  183    HA   ALA  23           HA       ALA  23  -8.733   1.828  -3.902
  184   1HB   ALA  23           HB3      ALA  23  -9.874   1.493  -6.656
  185   2HB   ALA  23           HB2      ALA  23  -8.169   1.155  -6.380
  186   3HB   ALA  23           HB1      ALA  23  -9.398   0.259  -5.494
  187    H    ALA  24           HN       ALA  24  -9.705   4.337  -6.137
  188    HA   ALA  24           HA       ALA  24  -7.137   5.187  -7.007
  189   1HB   ALA  24           HB1      ALA  24  -9.759   6.041  -7.369
  190   2HB   ALA  24           HB3      ALA  24  -8.985   7.399  -6.559
  191   3HB   ALA  24           HB2      ALA  24  -8.325   6.785  -8.071
  192    H    THR  25           HN       THR  25  -9.122   6.558  -4.380
  193    HA   THR  25           HA       THR  25  -7.072   8.274  -3.382
  194    HB   THR  25           HB       THR  25  -9.625   8.278  -2.799
  195    HG1  THR  25           HG1      THR  25  -8.996   9.344  -0.920
  196   1HG2  THR  25          HG23      THR  25  -9.196   5.827  -1.727
  197   2HG2  THR  25          HG22      THR  25  -8.726   6.813  -0.348
  198   3HG2  THR  25          HG21      THR  25 -10.348   6.953  -1.019
  199    H    ALA  26           HN       ALA  26  -7.638   4.877  -2.983
  200    HA   ALA  26           HA       ALA  26  -6.024   4.575  -0.590
  201   1HB   ALA  26           HB3      ALA  26  -7.717   2.896  -1.270
  202   2HB   ALA  26           HB2      ALA  26  -6.749   2.516  -2.689
  203   3HB   ALA  26           HB1      ALA  26  -6.123   2.172  -1.079
  204    H    GLU  27           HN       GLU  27  -5.423   4.426  -4.047
  205    HA   GLU  27           HA       GLU  27  -2.800   3.337  -3.976
  206   1HB   GLU  27           HB2      GLU  27  -4.232   5.162  -5.895
  207   2HB   GLU  27           HB1      GLU  27  -2.558   4.704  -6.160
  208   1HG   GLU  27           HG2      GLU  27  -3.223   2.298  -6.026
  209   2HG   GLU  27           HG1      GLU  27  -4.902   2.800  -5.856
  210    H    LYS  28           HN       LYS  28  -3.807   6.758  -4.122
  211    HA   LYS  28           HA       LYS  28  -1.112   7.744  -3.785
  212   1HB   LYS  28           HB2      LYS  28  -2.070   9.909  -3.718
  213   2HB   LYS  28           HB1      LYS  28  -3.124   8.987  -4.783
  214   1HG   LYS  28           HG2      LYS  28  -4.503   8.465  -2.654
  215   2HG   LYS  28           HG1      LYS  28  -3.602   9.777  -1.904
  216   1HD   LYS  28           HD2      LYS  28  -4.293  11.102  -4.081
  217   2HD   LYS  28           HD1      LYS  28  -5.563   9.887  -4.179
  218   1HE   LYS  28           HE2      LYS  28  -6.635  11.439  -2.835
  219   2HE   LYS  28           HE1      LYS  28  -5.835  10.490  -1.589
  220   1HZ   LYS  28           HZ3      LYS  28  -4.031  12.415  -2.493
  221   2HZ   LYS  28           HZ2      LYS  28  -5.505  13.201  -2.190
  222   3HZ   LYS  28           HZ1      LYS  28  -4.760  12.293  -0.964
  223    H    VAL  29           HN       VAL  29  -3.779   7.131  -1.548
  224    HA   VAL  29           HA       VAL  29  -2.701   8.400   0.745
  225    HB   VAL  29           HB       VAL  29  -4.447   5.962   0.423
  226   1HG1  VAL  29          HG12      VAL  29  -3.236   7.183   2.890
  227   2HG1  VAL  29          HG11      VAL  29  -4.853   6.493   2.974
  228   3HG1  VAL  29          HG13      VAL  29  -3.489   5.483   2.508
  229   1HG2  VAL  29          HG21      VAL  29  -5.065   8.538   0.029
  230   2HG2  VAL  29          HG23      VAL  29  -6.205   7.431   0.787
  231   3HG2  VAL  29          HG22      VAL  29  -5.232   8.509   1.781
  232    H    PHE  30           HN       PHE  30  -2.453   4.947  -0.115
  233    HA   PHE  30           HA       PHE  30  -0.515   4.344   1.888
  234   1HB   PHE  30           HB2      PHE  30  -1.411   3.017  -0.644
  235   2HB   PHE  30           HB1      PHE  30   0.055   2.435   0.131
  236    HD1  PHE  30           HD1      PHE  30  -0.279   2.292   2.884
  237    HD2  PHE  30           HD2      PHE  30  -3.343   1.846  -0.048
  238    HE1  PHE  30           HE1      PHE  30  -1.657   1.050   4.496
  239    HE2  PHE  30           HE2      PHE  30  -4.686   0.589   1.567
  240    HZ   PHE  30           HZ       PHE  30  -3.840   0.152   3.825
  241    H    LYS  31           HN       LYS  31  -0.151   5.224  -1.532
  242    HA   LYS  31           HA       LYS  31   2.653   4.992  -1.724
  243   1HB   LYS  31           HB2      LYS  31   1.019   5.579  -3.588
  244   2HB   LYS  31           HB1      LYS  31   1.062   7.231  -2.985
  245   1HG   LYS  31           HG2      LYS  31   3.757   6.518  -3.117
  246   2HG   LYS  31           HG1      LYS  31   3.068   5.763  -4.548
  247   1HD   LYS  31           HD2      LYS  31   2.686   8.683  -3.789
  248   2HD   LYS  31           HD1      LYS  31   3.844   8.101  -4.980
  249   1HE   LYS  31           HE2      LYS  31   2.233   8.041  -6.554
  250   2HE   LYS  31           HE1      LYS  31   1.281   6.943  -5.564
  251   1HZ   LYS  31           HZ3      LYS  31   1.310   9.874  -5.151
  252   2HZ   LYS  31           HZ2      LYS  31   0.185   9.088  -6.153
  253   3HZ   LYS  31           HZ1      LYS  31   0.231   8.740  -4.491
  254    H    GLN  32           HN       GLN  32   0.677   7.550  -0.357
  255    HA   GLN  32           HA       GLN  32   2.762   9.455   0.067
  256   1HB   GLN  32           HB2      GLN  32   0.269   9.855   0.316
  257   2HB   GLN  32           HB1      GLN  32   0.361   9.014   1.860
  258   1HG   GLN  32           HG2      GLN  32   2.462  10.805   2.038
  259   2HG   GLN  32           HG1      GLN  32   1.253  11.731   1.154
  260   1HE2  GLN  32          HE22      GLN  32  -1.109  11.692   3.873
  261   2HE2  GLN  32          HE21      GLN  32  -1.014  11.710   2.178
  262    OH   TYR  33           OH       TYR  33   5.088   2.779   8.254
  263    H    TYR  33           HN       TYR  33   1.708   6.636   1.857
  264    HA   TYR  33           HA       TYR  33   3.317   7.167   4.206
  265   1HB   TYR  33           HB2      TYR  33   1.382   5.650   4.299
  266   2HB   TYR  33           HB1      TYR  33   2.176   4.560   3.166
  267    HD1  TYR  33           HD1      TYR  33   4.345   3.458   3.842
  268    HD2  TYR  33           HD2      TYR  33   1.959   5.616   6.624
  269    HE1  TYR  33           HE1      TYR  33   5.532   2.383   5.693
  270    HE2  TYR  33           HE2      TYR  33   3.146   4.536   8.478
  271    HH   TYR  33           HH       TYR  33   4.862   3.244   9.062
  272    H    ALA  34           HN       ALA  34   3.678   4.731   1.641
  273    HA   ALA  34           HA       ALA  34   6.237   3.811   2.271
  274   1HB   ALA  34           HB3      ALA  34   4.489   3.634   0.050
  275   2HB   ALA  34           HB2      ALA  34   6.057   4.122  -0.585
  276   3HB   ALA  34           HB1      ALA  34   5.915   2.650   0.371
  277    H    ASN  35           HN       ASN  35   5.329   6.747   0.554
  278    HA   ASN  35           HA       ASN  35   7.916   7.524  -0.337
  279   1HB   ASN  35           HB2      ASN  35   5.497   8.580  -0.695
  280   2HB   ASN  35           HB1      ASN  35   6.015   9.617   0.630
  281   1HD2  ASN  35          HD22      ASN  35   7.861  11.615  -1.581
  282   2HD2  ASN  35          HD21      ASN  35   6.862  11.511  -0.213
  283    H    ASP  36           HN       ASP  36   6.320   7.870   2.769
  284    HA   ASP  36           HA       ASP  36   8.479   9.517   3.870
  285   1HB   ASP  36           HB2      ASP  36   6.168   8.143   5.268
  286   2HB   ASP  36           HB1      ASP  36   7.215   9.376   5.969
  287    H    ASN  37           HN       ASN  37   8.905   6.704   2.824
  288    HA   ASN  37           HA       ASN  37  10.433   5.747   5.196
  289   1HB   ASN  37           HB2      ASN  37   8.388   4.220   3.613
  290   2HB   ASN  37           HB1      ASN  37   9.740   3.365   4.351
  291   1HD2  ASN  37          HD22      ASN  37   6.708   4.742   6.669
  292   2HD2  ASN  37          HD21      ASN  37   6.714   4.976   4.988
  293    H    GLY  38           HN       GLY  38   9.951   5.786   1.728
  294   1HA   GLY  38           HA2      GLY  38  11.903   6.048   0.257
  295   2HA   GLY  38           HA1      GLY  38  12.834   5.076   1.390
  296    H    VAL  39           HN       VAL  39   9.681   4.614  -0.197
  297    HA   VAL  39           HA       VAL  39  10.766   2.174  -1.516
  298    HB   VAL  39           HB       VAL  39   8.248   2.278   0.167
  299   1HG1  VAL  39          HG11      VAL  39   9.138   0.507  -2.020
  300   2HG1  VAL  39          HG13      VAL  39   8.677  -0.348  -0.553
  301   3HG1  VAL  39          HG12      VAL  39   7.527   0.726  -1.345
  302   1HG2  VAL  39          HG23      VAL  39  10.820   0.680   0.423
  303   2HG2  VAL  39          HG22      VAL  39  10.350   2.029   1.453
  304   3HG2  VAL  39          HG21      VAL  39   9.422   0.533   1.483
  305    H    ASP  40           HN       ASP  40  10.621   3.083  -3.546
  306    HA   ASP  40           HA       ASP  40   7.844   3.595  -4.522
  307   1HB   ASP  40           HB2      ASP  40  10.189   5.207  -5.505
  308   2HB   ASP  40           HB1      ASP  40   8.472   5.570  -5.648
  309    H    GLY  41           HN       GLY  41   7.422   2.143  -6.048
  310   1HA   GLY  41           HA2      GLY  41   9.198   1.780  -8.320
  311   2HA   GLY  41           HA1      GLY  41   9.173   0.365  -7.270
  312    H    GLU  42           HN       GLU  42   7.620  -1.094  -7.623
  313    HA   GLU  42           HA       GLU  42   5.430  -0.377  -9.508
  314   1HB   GLU  42           HB2      GLU  42   6.360  -3.064  -8.483
  315   2HB   GLU  42           HB1      GLU  42   5.110  -2.821  -9.693
  316   1HG   GLU  42           HG2      GLU  42   6.622  -2.265 -11.337
  317   2HG   GLU  42           HG1      GLU  42   7.711  -1.466 -10.208
  318    CH2  TRP  43           CH2      TRP  43   2.161   2.446  -2.187
  319    H    TRP  43           HN       TRP  43   3.248  -0.884  -9.007
  320    HA   TRP  43           HA       TRP  43   2.705  -1.342  -6.097
  321   1HB   TRP  43           HB2      TRP  43   1.654   0.771  -7.948
  322   2HB   TRP  43           HB1      TRP  43   0.696   0.250  -6.571
  323    HD1  TRP  43           HD1      TRP  43   4.267   1.502  -7.360
  324    HE1  TRP  43           HE1      TRP  43   5.035   2.800  -5.316
  325    HE3  TRP  43           HE3      TRP  43   0.369   0.652  -4.389
  326    HZ2  TRP  43           HZ2      TRP  43   4.066   3.331  -2.567
  327    HZ3  TRP  43           HZ3      TRP  43   0.273   1.463  -2.083
  328    HH2  TRP  43           HH2      TRP  43   2.118   2.794  -1.166
  329    H    THR  44           HN       THR  44   1.162  -2.784  -5.637
  330    HA   THR  44           HA       THR  44  -0.496  -3.827  -7.908
  331    HB   THR  44           HB       THR  44  -0.365  -6.053  -6.524
  332    HG1  THR  44           HG1      THR  44   1.728  -4.387  -5.546
  333   1HG2  THR  44          HG21      THR  44   1.623  -4.797  -8.320
  334   2HG2  THR  44          HG23      THR  44   2.306  -6.032  -7.267
  335   3HG2  THR  44          HG22      THR  44   0.981  -6.436  -8.354
  336    OH   TYR  45           OH       TYR  45  -8.946  -1.343  -3.050
  337    H    TYR  45           HN       TYR  45  -2.475  -4.930  -7.207
  338    HA   TYR  45           HA       TYR  45  -3.599  -3.904  -4.636
  339   1HB   TYR  45           HB2      TYR  45  -4.184  -2.502  -6.745
  340   2HB   TYR  45           HB1      TYR  45  -5.180  -3.879  -7.219
  341    HD1  TYR  45           HD1      TYR  45  -6.620  -4.755  -4.864
  342    HD2  TYR  45           HD2      TYR  45  -5.472  -0.791  -5.881
  343    HE1  TYR  45           HE1      TYR  45  -8.374  -3.877  -3.418
  344    HE2  TYR  45           HE2      TYR  45  -7.273   0.084  -4.481
  345    HH   TYR  45           HH       TYR  45  -8.595  -0.596  -2.558
  346    H    ASP  46           HN       ASP  46  -4.550  -5.522  -3.535
  347    HA   ASP  46           HA       ASP  46  -5.173  -8.050  -5.003
  348   1HB   ASP  46           HB2      ASP  46  -3.556  -7.914  -2.954
  349   2HB   ASP  46           HB1      ASP  46  -5.038  -7.828  -2.009
  350    H    ASP  47           HN       ASP  47  -7.176  -6.798  -5.688
  351    HA   ASP  47           HA       ASP  47  -9.227  -6.092  -3.845
  352   1HB   ASP  47           HB2      ASP  47  -9.563  -5.333  -6.045
  353   2HB   ASP  47           HB1      ASP  47  -9.233  -6.917  -6.741
  354    H    ALA  48           HN       ALA  48  -7.918  -9.101  -4.483
  355    HA   ALA  48           HA       ALA  48 -10.263 -10.766  -4.307
  356   1HB   ALA  48           HB2      ALA  48  -7.682 -11.258  -4.907
  357   2HB   ALA  48           HB1      ALA  48  -7.691 -11.788  -3.227
  358   3HB   ALA  48           HB3      ALA  48  -8.792 -12.523  -4.387
  359    H    THR  49           HN       THR  49  -8.240  -9.195  -1.937
  360    HA   THR  49           HA       THR  49 -10.151 -10.045   0.169
  361    HB   THR  49           HB       THR  49  -8.119 -10.536   1.695
  362    HG1  THR  49           HG1      THR  49  -6.384  -9.880   0.638
  363   1HG2  THR  49          HG22      THR  49  -9.469 -12.382   0.572
  364   2HG2  THR  49          HG21      THR  49  -8.347 -12.288  -0.783
  365   3HG2  THR  49          HG23      THR  49  -7.770 -12.787   0.804
  366    H    LYS  50           HN       LYS  50  -9.254  -7.546  -1.319
  367    HA   LYS  50           HA       LYS  50  -8.901  -5.286  -0.805
  368   1HB   LYS  50           HB2      LYS  50  -9.917  -6.143   1.917
  369   2HB   LYS  50           HB1      LYS  50  -9.901  -4.504   1.281
  370   1HG   LYS  50           HG2      LYS  50 -11.292  -5.466  -0.686
  371   2HG   LYS  50           HG1      LYS  50 -11.560  -6.855   0.360
  372   1HD   LYS  50           HD2      LYS  50 -12.502  -5.394   2.099
  373   2HD   LYS  50           HD1      LYS  50 -12.181  -3.977   1.105
  374   1HE   LYS  50           HE2      LYS  50 -14.521  -4.616   0.832
  375   2HE   LYS  50           HE1      LYS  50 -13.664  -4.940  -0.669
  376   1HZ   LYS  50           HZ2      LYS  50 -13.452  -7.254  -0.001
  377   2HZ   LYS  50           HZ1      LYS  50 -14.311  -6.933   1.429
  378   3HZ   LYS  50           HZ3      LYS  50 -15.081  -6.779  -0.077
  379    H    THR  51           HN       THR  51  -6.585  -6.325  -0.917
  380    HA   THR  51           HA       THR  51  -5.125  -5.314   1.481
  381    HB   THR  51           HB       THR  51  -5.028  -8.087   0.316
  382    HG1  THR  51           HG1      THR  51  -4.258  -7.592   2.862
  383   1HG2  THR  51          HG23      THR  51  -2.688  -6.639   1.610
  384   2HG2  THR  51          HG22      THR  51  -2.804  -8.383   1.456
  385   3HG2  THR  51          HG21      THR  51  -2.680  -7.379   0.017
  386    H    PHE  52           HN       PHE  52  -3.760  -3.744   0.774
  387    HA   PHE  52           HA       PHE  52  -3.071  -3.581  -2.061
  388   1HB   PHE  52           HB2      PHE  52  -3.032  -1.815   0.234
  389   2HB   PHE  52           HB1      PHE  52  -1.536  -1.713  -0.686
  390    HD1  PHE  52           HD1      PHE  52  -1.596  -1.074  -3.106
  391    HD2  PHE  52           HD2      PHE  52  -5.121  -1.134  -0.752
  392    HE1  PHE  52           HE1      PHE  52  -2.795   0.202  -4.842
  393    HE2  PHE  52           HE2      PHE  52  -6.270   0.244  -2.400
  394    HZ   PHE  52           HZ       PHE  52  -5.097   0.952  -4.433
  395    H    THR  53           HN       THR  53  -0.761  -3.299  -2.716
  396    HA   THR  53           HA       THR  53   1.283  -4.382  -0.928
  397    HB   THR  53           HB       THR  53   0.403  -5.975  -3.366
  398    HG1  THR  53           HG1      THR  53  -0.873  -6.448  -1.654
  399   1HG2  THR  53          HG22      THR  53   2.858  -5.977  -1.668
  400   2HG2  THR  53          HG21      THR  53   2.111  -7.549  -1.937
  401   3HG2  THR  53          HG23      THR  53   2.647  -6.583  -3.308
  402    H    VAL  54           HN       VAL  54   3.258  -3.626  -1.489
  403    HA   VAL  54           HA       VAL  54   3.627  -2.579  -4.265
  404    HB   VAL  54           HB       VAL  54   3.031  -0.718  -2.658
  405   1HG1  VAL  54          HG12      VAL  54   4.230  -1.845  -0.730
  406   2HG1  VAL  54          HG11      VAL  54   5.743  -1.308  -1.452
  407   3HG1  VAL  54          HG13      VAL  54   4.555  -0.128  -0.908
  408   1HG2  VAL  54          HG21      VAL  54   5.780  -0.772  -3.928
  409   2HG2  VAL  54          HG23      VAL  54   4.302  -0.103  -4.596
  410   3HG2  VAL  54          HG22      VAL  54   5.081   0.681  -3.232
  411    H    THR  55           HN       THR  55   5.812  -2.597  -4.958
  412    HA   THR  55           HA       THR  55   7.780  -3.880  -3.137
  413    HB   THR  55           HB       THR  55   7.180  -4.981  -5.916
  414    HG1  THR  55           HG1      THR  55   5.729  -6.105  -4.864
  415   1HG2  THR  55          HG22      THR  55   9.293  -5.424  -3.921
  416   2HG2  THR  55          HG21      THR  55   8.371  -6.890  -4.246
  417   3HG2  THR  55          HG23      THR  55   9.175  -6.046  -5.561
  418    H    GLU  56           HN       GLU  56   9.491  -2.556  -3.194
  419    HA   GLU  56           HA       GLU  56   9.982  -0.609  -5.215
  420   1HB   GLU  56           HB2      GLU  56  11.066  -1.212  -2.743
  421   2HB   GLU  56           HB1      GLU  56  12.396  -1.541  -3.844
  422   1HG   GLU  56           HG2      GLU  56  11.908   0.722  -4.918
  423   2HG   GLU  56           HG1      GLU  56  10.824   1.036  -3.565
   
  Start of MODEL          25
 Raw file had 423 H/Q atoms
  Entry Start of MODEL   25
    1   1H    MET   1           HT1      MET   1 -13.805   1.642   5.142
    2   2H    MET   1           HT3      MET   1 -15.042   1.312   4.025
    3   3H    MET   1           HT2      MET   1 -14.968   0.454   5.489
    4    HA   MET   1           HA       MET   1 -13.786  -1.104   4.493
    5   1HB   MET   1           HB2      MET   1 -13.496   0.801   2.153
    6   2HB   MET   1           HB1      MET   1 -13.170  -0.928   2.124
    7   1HG   MET   1           HG2      MET   1 -15.333  -0.873   1.313
    8   2HG   MET   1           HG1      MET   1 -15.604  -1.153   3.012
    9   1HE   MET   1           HE2      MET   1 -17.833  -0.564   3.460
   10   2HE   MET   1           HE1      MET   1 -16.813   0.310   4.605
   11   3HE   MET   1           HE3      MET   1 -18.216   1.103   3.887
   12    H    THR   2           HN       THR   2 -11.665  -1.764   4.548
   13    HA   THR   2           HA       THR   2  -9.545   0.319   4.480
   14    HB   THR   2           HB       THR   2  -9.786  -1.661   6.780
   15    HG1  THR   2           HG1      THR   2 -10.998  -0.147   7.644
   16   1HG2  THR   2          HG21      THR   2  -7.543  -0.351   5.948
   17   2HG2  THR   2          HG23      THR   2  -8.293   0.919   6.911
   18   3HG2  THR   2          HG22      THR   2  -7.897  -0.630   7.651
   19    OH   TYR   3           OH       TYR   3 -11.681   0.343  -0.781
   20    H    TYR   3           HN       TYR   3  -7.833  -0.371   3.355
   21    HA   TYR   3           HA       TYR   3  -7.644  -3.290   2.753
   22   1HB   TYR   3           HB2      TYR   3  -6.109  -1.142   1.315
   23   2HB   TYR   3           HB1      TYR   3  -6.591  -2.726   0.733
   24    HD1  TYR   3           HD1      TYR   3  -7.974   0.568   1.808
   25    HD2  TYR   3           HD2      TYR   3  -8.657  -3.000  -0.394
   26    HE1  TYR   3           HE1      TYR   3 -10.043   1.523   0.901
   27    HE2  TYR   3           HE2      TYR   3 -10.718  -2.044  -1.311
   28    HH   TYR   3           HH       TYR   3 -11.554   0.483  -1.722
   29    H    LYS   4           HN       LYS   4  -5.580  -4.311   2.803
   30    HA   LYS   4           HA       LYS   4  -3.770  -3.123   4.857
   31   1HB   LYS   4           HB2      LYS   4  -4.936  -5.495   4.982
   32   2HB   LYS   4           HB1      LYS   4  -3.613  -5.975   3.937
   33   1HG   LYS   4           HG2      LYS   4  -2.239  -4.564   5.822
   34   2HG   LYS   4           HG1      LYS   4  -3.560  -5.201   6.796
   35   1HD   LYS   4           HD2      LYS   4  -1.713  -6.830   5.021
   36   2HD   LYS   4           HD1      LYS   4  -1.683  -6.790   6.780
   37   1HE   LYS   4           HE2      LYS   4  -4.299  -7.389   6.373
   38   2HE   LYS   4           HE1      LYS   4  -3.593  -8.146   4.951
   39   1HZ   LYS   4           HZ1      LYS   4  -2.654  -8.597   7.727
   40   2HZ   LYS   4           HZ3      LYS   4  -3.718  -9.624   6.892
   41   3HZ   LYS   4           HZ2      LYS   4  -2.130  -9.408   6.330
   42    H    LEU   5           HN       LEU   5  -1.919  -2.267   4.121
   43    HA   LEU   5           HA       LEU   5  -0.974  -2.951   1.421
   44   1HB   LEU   5           HB2      LEU   5  -0.845  -0.618   2.004
   45   2HB   LEU   5           HB1      LEU   5  -0.055  -0.972   3.532
   46    HG   LEU   5           HG       LEU   5   1.956  -1.822   2.203
   47   1HD1  LEU   5          HD13      LEU   5   0.412  -0.575  -0.093
   48   2HD1  LEU   5          HD12      LEU   5   2.076  -1.129  -0.174
   49   3HD1  LEU   5          HD11      LEU   5   0.780  -2.289   0.072
   50   1HD2  LEU   5          HD22      LEU   5   1.672   0.542   3.129
   51   2HD2  LEU   5          HD21      LEU   5   2.827   0.359   1.814
   52   3HD2  LEU   5          HD23      LEU   5   1.228   1.017   1.495
   53    H    ILE   6           HN       ILE   6   1.110  -3.806   0.987
   54    HA   ILE   6           HA       ILE   6   2.509  -5.086   3.256
   55    HB   ILE   6           HB       ILE   6   2.069  -6.378   0.555
   56   1HG1  ILE   6          HG12      ILE   6   0.645  -6.691   3.213
   57   2HG1  ILE   6          HG11      ILE   6  -0.069  -6.329   1.649
   58   1HG2  ILE   6          HG21      ILE   6   4.138  -6.962   1.996
   59   2HG2  ILE   6          HG23      ILE   6   2.997  -7.658   3.137
   60   3HG2  ILE   6          HG22      ILE   6   3.116  -8.304   1.504
   61   1HD1  ILE   6           HD2      ILE   6   0.879  -8.606   0.881
   62   2HD1  ILE   6           HD1      ILE   6   1.118  -8.944   2.593
   63   3HD1  ILE   6           HD3      ILE   6  -0.499  -8.645   1.972
   64    H    LEU   7           HN       LEU   7   4.294  -3.847   3.343
   65    HA   LEU   7           HA       LEU   7   5.566  -2.809   0.935
   66   1HB   LEU   7           HB2      LEU   7   6.156  -2.660   3.869
   67   2HB   LEU   7           HB1      LEU   7   7.354  -2.129   2.696
   68    HG   LEU   7           HG       LEU   7   4.549  -1.166   2.324
   69   1HD1  LEU   7          HD13      LEU   7   6.455  -0.092   4.435
   70   2HD1  LEU   7          HD12      LEU   7   4.960   0.690   3.932
   71   3HD1  LEU   7          HD11      LEU   7   4.906  -0.870   4.747
   72   1HD2  LEU   7          HD22      LEU   7   6.396  -0.592   0.759
   73   2HD2  LEU   7          HD21      LEU   7   5.761   0.843   1.559
   74   3HD2  LEU   7          HD23      LEU   7   7.285   0.139   2.092
   75    H    ASN   8           HN       ASN   8   6.710  -4.107  -0.344
   76    HA   ASN   8           HA       ASN   8   8.374  -6.240   0.914
   77   1HB   ASN   8           HB2      ASN   8   6.749  -6.061  -1.497
   78   2HB   ASN   8           HB1      ASN   8   8.369  -6.609  -1.861
   79   1HD2  ASN   8          HD22      ASN   8   5.902  -9.294  -0.578
   80   2HD2  ASN   8          HD21      ASN   8   5.559  -7.933  -1.523
   81    H    GLY   9           HN       GLY   9   9.175  -3.540   1.001
   82   1HA   GLY   9           HA2      GLY   9  10.900  -2.769  -1.120
   83   2HA   GLY   9           HA1      GLY   9  11.038  -2.192   0.533
   84    H    LYS  10           HN       LYS  10  13.015  -3.159  -1.562
   85    HA   LYS  10           HA       LYS  10  14.159  -5.618  -0.564
   86   1HB   LYS  10           HB2      LYS  10  15.470  -3.372  -2.126
   87   2HB   LYS  10           HB1      LYS  10  16.142  -4.980  -1.892
   88   1HG   LYS  10           HG2      LYS  10  13.684  -5.640  -2.851
   89   2HG   LYS  10           HG1      LYS  10  13.913  -4.094  -3.657
   90   1HD   LYS  10           HD2      LYS  10  15.900  -6.397  -3.718
   91   2HD   LYS  10           HD1      LYS  10  14.787  -5.990  -5.018
   92   1HE   LYS  10           HE2      LYS  10  16.967  -4.182  -3.920
   93   2HE   LYS  10           HE1      LYS  10  16.996  -5.011  -5.470
   94   1HZ   LYS  10           HZ1      LYS  10  14.952  -3.017  -4.675
   95   2HZ   LYS  10           HZ3      LYS  10  16.316  -2.673  -5.626
   96   3HZ   LYS  10           HZ2      LYS  10  15.127  -3.741  -6.201
   97    H    THR  11           HN       THR  11  14.684  -2.208   0.078
   98    HA   THR  11           HA       THR  11  16.786  -2.829   2.049
   99    HB   THR  11           HB       THR  11  16.776  -0.259   2.273
  100    HG1  THR  11           HG1      THR  11  15.432   0.762   0.840
  101   1HG2  THR  11          HG23      THR  11  17.661  -1.895   0.055
  102   2HG2  THR  11          HG22      THR  11  17.090  -0.345  -0.556
  103   3HG2  THR  11          HG21      THR  11  18.374  -0.398   0.648
  104    H    LEU  12           HN       LEU  12  13.450  -2.694   1.969
  105    HA   LEU  12           HA       LEU  12  13.297  -2.735   4.894
  106   1HB   LEU  12           HB2      LEU  12  13.323  -0.257   4.117
  107   2HB   LEU  12           HB1      LEU  12  11.690  -0.575   3.546
  108    HG   LEU  12           HG       LEU  12  11.438  -1.627   5.994
  109   1HD1  LEU  12          HD12      LEU  12  13.976  -0.906   6.277
  110   2HD1  LEU  12          HD11      LEU  12  13.269   0.670   6.619
  111   3HD1  LEU  12          HD13      LEU  12  12.850  -0.720   7.617
  112   1HD2  LEU  12          HD22      LEU  12  11.386   1.340   5.344
  113   2HD2  LEU  12          HD21      LEU  12  10.066   0.203   5.092
  114   3HD2  LEU  12          HD23      LEU  12  10.583   0.602   6.727
  115    H    LYS  13           HN       LYS  13  11.278  -3.481   5.664
  116    HA   LYS  13           HA       LYS  13   9.215  -4.158   3.637
  117   1HB   LYS  13           HB2      LYS  13  10.448  -6.207   5.497
  118   2HB   LYS  13           HB1      LYS  13   9.126  -6.498   4.374
  119   1HG   LYS  13           HG2      LYS  13  10.669  -5.759   2.507
  120   2HG   LYS  13           HG1      LYS  13  11.978  -5.729   3.683
  121   1HD   LYS  13           HD2      LYS  13  11.569  -8.120   4.194
  122   2HD   LYS  13           HD1      LYS  13  10.267  -8.148   3.010
  123   1HE   LYS  13           HE2      LYS  13  11.835  -7.607   1.213
  124   2HE   LYS  13           HE1      LYS  13  13.148  -7.434   2.371
  125   1HZ   LYS  13           HZ2      LYS  13  12.426  -9.858   2.985
  126   2HZ   LYS  13           HZ1      LYS  13  11.839  -9.857   1.391
  127   3HZ   LYS  13           HZ3      LYS  13  13.484  -9.555   1.691
  128    H    GLY  14           HN       GLY  14   7.166  -4.057   4.454
  129   1HA   GLY  14           HA2      GLY  14   6.611  -4.384   7.292
  130   2HA   GLY  14           HA1      GLY  14   6.549  -2.697   6.794
  131    H    GLU  15           HN       GLU  15   4.280  -2.840   7.429
  132    HA   GLU  15           HA       GLU  15   2.522  -3.185   5.196
  133   1HB   GLU  15           HB2      GLU  15   1.192  -5.094   6.025
  134   2HB   GLU  15           HB1      GLU  15   2.843  -5.587   5.677
  135   1HG   GLU  15           HG2      GLU  15   3.021  -4.756   8.308
  136   2HG   GLU  15           HG1      GLU  15   1.423  -5.494   8.253
  137    H    THR  16           HN       THR  16   0.701  -2.008   5.570
  138    HA   THR  16           HA       THR  16  -0.220  -1.590   8.347
  139    HB   THR  16           HB       THR  16   1.460   0.230   8.041
  140    HG1  THR  16           HG1      THR  16  -0.887   0.361   8.908
  141   1HG2  THR  16          HG22      THR  16   0.467   0.314   5.406
  142   2HG2  THR  16          HG21      THR  16  -0.186   1.758   6.172
  143   3HG2  THR  16          HG23      THR  16   1.554   1.490   6.135
  144    H    THR  17           HN       THR  17  -2.343  -0.702   8.470
  145    HA   THR  17           HA       THR  17  -3.866  -1.020   5.914
  146    HB   THR  17           HB       THR  17  -5.710  -1.822   7.206
  147    HG1  THR  17           HG1      THR  17  -5.115  -1.421   9.670
  148   1HG2  THR  17          HG21      THR  17  -3.257  -3.055   7.639
  149   2HG2  THR  17          HG23      THR  17  -3.792  -2.692   9.276
  150   3HG2  THR  17          HG22      THR  17  -4.798  -3.675   8.220
  151    H    THR  18           HN       THR  18  -5.046   0.631   5.134
  152    HA   THR  18           HA       THR  18  -5.414   3.049   6.866
  153    HB   THR  18           HB       THR  18  -3.605   3.192   4.948
  154    HG1  THR  18           HG1      THR  18  -5.694   4.822   5.790
  155   1HG2  THR  18          HG23      THR  18  -5.508   2.306   3.289
  156   2HG2  THR  18          HG22      THR  18  -6.024   3.987   3.344
  157   3HG2  THR  18          HG21      THR  18  -4.410   3.581   2.772
  158    H    GLU  19           HN       GLU  19  -7.266   4.354   6.337
  159    HA   GLU  19           HA       GLU  19  -9.493   2.715   5.275
  160   1HB   GLU  19           HB2      GLU  19  -9.345   5.293   6.835
  161   2HB   GLU  19           HB1      GLU  19 -10.850   4.746   6.105
  162   1HG   GLU  19           HG2      GLU  19 -10.709   2.626   7.345
  163   2HG   GLU  19           HG1      GLU  19  -9.163   3.114   8.034
  164    H    ALA  20           HN       ALA  20 -10.278   2.986   3.282
  165    HA   ALA  20           HA       ALA  20  -9.938   5.621   1.936
  166   1HB   ALA  20           HB3      ALA  20  -8.488   3.229   1.291
  167   2HB   ALA  20           HB2      ALA  20  -9.570   3.617  -0.042
  168   3HB   ALA  20           HB1      ALA  20  -8.397   4.806   0.514
  169    H    VAL  21           HN       VAL  21 -11.543   6.115   0.451
  170    HA   VAL  21           HA       VAL  21 -13.984   4.469   0.684
  171    HB   VAL  21           HB       VAL  21 -13.888   7.037   0.875
  172   1HG1  VAL  21          HG13      VAL  21 -12.488   7.082  -1.332
  173   2HG1  VAL  21          HG12      VAL  21 -14.045   6.913  -2.136
  174   3HG1  VAL  21          HG11      VAL  21 -13.732   8.308  -1.109
  175   1HG2  VAL  21          HG23      VAL  21 -15.799   5.334  -0.652
  176   2HG2  VAL  21          HG22      VAL  21 -16.077   6.322   0.779
  177   3HG2  VAL  21          HG21      VAL  21 -16.005   7.075  -0.811
  178    H    ASP  22           HN       ASP  22 -11.459   5.106  -1.561
  179    HA   ASP  22           HA       ASP  22 -12.760   3.271  -3.497
  180   1HB   ASP  22           HB2      ASP  22 -11.901   4.886  -5.341
  181   2HB   ASP  22           HB1      ASP  22 -13.385   5.313  -4.495
  182    H    ALA  23           HN       ALA  23 -11.186   2.551  -5.188
  183    HA   ALA  23           HA       ALA  23  -8.708   1.758  -3.922
  184   1HB   ALA  23           HB3      ALA  23  -9.950   1.365  -6.619
  185   2HB   ALA  23           HB2      ALA  23  -8.240   1.003  -6.409
  186   3HB   ALA  23           HB1      ALA  23  -9.444   0.160  -5.441
  187    H    ALA  24           HN       ALA  24  -9.665   4.408  -5.900
  188    HA   ALA  24           HA       ALA  24  -7.052   5.058  -6.951
  189   1HB   ALA  24           HB2      ALA  24  -9.472   6.823  -6.497
  190   2HB   ALA  24           HB1      ALA  24  -8.062   7.263  -7.455
  191   3HB   ALA  24           HB3      ALA  24  -9.103   5.941  -7.974
  192    H    THR  25           HN       THR  25  -8.976   6.690  -4.436
  193    HA   THR  25           HA       THR  25  -6.884   8.318  -3.454
  194    HB   THR  25           HB       THR  25  -9.467   8.270  -2.834
  195    HG1  THR  25           HG1      THR  25  -7.641   8.719  -0.736
  196   1HG2  THR  25          HG23      THR  25  -9.009   5.952  -1.621
  197   2HG2  THR  25          HG22      THR  25  -8.311   6.974  -0.370
  198   3HG2  THR  25          HG21      THR  25 -10.003   7.162  -0.817
  199    H    ALA  26           HN       ALA  26  -7.563   4.939  -2.927
  200    HA   ALA  26           HA       ALA  26  -5.966   4.592  -0.563
  201   1HB   ALA  26           HB1      ALA  26  -7.619   2.917  -1.410
  202   2HB   ALA  26           HB3      ALA  26  -6.524   2.561  -2.743
  203   3HB   ALA  26           HB2      ALA  26  -6.038   2.212  -1.087
  204    H    GLU  27           HN       GLU  27  -5.239   4.317  -4.018
  205    HA   GLU  27           HA       GLU  27  -2.584   3.387  -3.829
  206   1HB   GLU  27           HB2      GLU  27  -3.959   5.195  -5.813
  207   2HB   GLU  27           HB1      GLU  27  -2.287   4.697  -6.013
  208   1HG   GLU  27           HG2      GLU  27  -3.006   2.311  -5.874
  209   2HG   GLU  27           HG1      GLU  27  -4.677   2.850  -5.765
  210    H    LYS  28           HN       LYS  28  -3.700   6.757  -4.082
  211    HA   LYS  28           HA       LYS  28  -1.109   7.906  -3.654
  212   1HB   LYS  28           HB2      LYS  28  -3.877   9.050  -3.226
  213   2HB   LYS  28           HB1      LYS  28  -2.398   9.999  -3.164
  214   1HG   LYS  28           HG2      LYS  28  -2.058   9.878  -5.441
  215   2HG   LYS  28           HG1      LYS  28  -2.752   8.266  -5.563
  216   1HD   LYS  28           HD2      LYS  28  -4.227   9.895  -6.664
  217   2HD   LYS  28           HD1      LYS  28  -5.026   9.243  -5.239
  218   1HE   LYS  28           HE2      LYS  28  -5.255  11.717  -5.377
  219   2HE   LYS  28           HE1      LYS  28  -4.371  11.227  -3.938
  220   1HZ   LYS  28           HZ3      LYS  28  -2.781  11.733  -6.315
  221   2HZ   LYS  28           HZ2      LYS  28  -3.513  13.089  -5.601
  222   3HZ   LYS  28           HZ1      LYS  28  -2.465  12.111  -4.690
  223    H    VAL  29           HN       VAL  29  -3.793   7.219  -1.436
  224    HA   VAL  29           HA       VAL  29  -2.718   8.417   0.887
  225    HB   VAL  29           HB       VAL  29  -4.424   5.939   0.575
  226   1HG1  VAL  29          HG12      VAL  29  -3.489   7.443   3.030
  227   2HG1  VAL  29          HG11      VAL  29  -4.971   6.491   3.039
  228   3HG1  VAL  29          HG13      VAL  29  -3.424   5.710   2.728
  229   1HG2  VAL  29          HG22      VAL  29  -5.042   8.538   0.043
  230   2HG2  VAL  29          HG21      VAL  29  -6.218   7.371   0.639
  231   3HG2  VAL  29          HG23      VAL  29  -5.425   8.473   1.760
  232    H    PHE  30           HN       PHE  30  -2.436   5.005  -0.105
  233    HA   PHE  30           HA       PHE  30  -0.529   4.340   1.928
  234   1HB   PHE  30           HB2      PHE  30  -1.448   3.073  -0.622
  235   2HB   PHE  30           HB1      PHE  30   0.030   2.470   0.115
  236    HD1  PHE  30           HD1      PHE  30  -0.236   2.239   2.850
  237    HD2  PHE  30           HD2      PHE  30  -3.397   1.945   0.006
  238    HE1  PHE  30           HE1      PHE  30  -1.581   0.965   4.464
  239    HE2  PHE  30           HE2      PHE  30  -4.716   0.663   1.626
  240    HZ   PHE  30           HZ       PHE  30  -3.806   0.137   3.838
  241    H    LYS  31           HN       LYS  31  -0.145   5.299  -1.471
  242    HA   LYS  31           HA       LYS  31   2.662   5.034  -1.659
  243   1HB   LYS  31           HB2      LYS  31   1.096   5.620  -3.539
  244   2HB   LYS  31           HB1      LYS  31   1.009   7.252  -2.890
  245   1HG   LYS  31           HG2      LYS  31   2.859   7.735  -4.113
  246   2HG   LYS  31           HG1      LYS  31   3.758   6.735  -2.983
  247   1HD   LYS  31           HD2      LYS  31   4.305   5.738  -5.025
  248   2HD   LYS  31           HD1      LYS  31   2.949   4.744  -4.519
  249   1HE   LYS  31           HE2      LYS  31   2.959   7.010  -6.528
  250   2HE   LYS  31           HE1      LYS  31   2.498   5.335  -6.795
  251   1HZ   LYS  31           HZ3      LYS  31   0.617   5.678  -5.292
  252   2HZ   LYS  31           HZ2      LYS  31   1.044   7.314  -5.135
  253   3HZ   LYS  31           HZ1      LYS  31   0.557   6.705  -6.643
  254    H    GLN  32           HN       GLN  32   0.701   7.548  -0.198
  255    HA   GLN  32           HA       GLN  32   2.810   9.442   0.242
  256   1HB   GLN  32           HB2      GLN  32   0.355   9.930   0.468
  257   2HB   GLN  32           HB1      GLN  32   0.353   8.991   1.957
  258   1HG   GLN  32           HG2      GLN  32   1.016  10.854   3.056
  259   2HG   GLN  32           HG1      GLN  32   2.539  10.775   2.176
  260   1HE2  GLN  32          HE22      GLN  32  -0.273  13.532   1.137
  261   2HE2  GLN  32          HE21      GLN  32  -0.596  12.365   2.326
  262    OH   TYR  33           OH       TYR  33   4.972   2.478   8.236
  263    H    TYR  33           HN       TYR  33   1.639   6.665   2.038
  264    HA   TYR  33           HA       TYR  33   3.230   7.105   4.396
  265   1HB   TYR  33           HB2      TYR  33   1.306   5.583   4.423
  266   2HB   TYR  33           HB1      TYR  33   2.093   4.544   3.240
  267    HD1  TYR  33           HD1      TYR  33   4.254   3.396   3.864
  268    HD2  TYR  33           HD2      TYR  33   1.872   5.422   6.745
  269    HE1  TYR  33           HE1      TYR  33   5.424   2.214   5.659
  270    HE2  TYR  33           HE2      TYR  33   3.042   4.237   8.545
  271    HH   TYR  33           HH       TYR  33   5.584   1.858   7.834
  272    H    ALA  34           HN       ALA  34   3.646   4.808   1.721
  273    HA   ALA  34           HA       ALA  34   6.168   3.798   2.316
  274   1HB   ALA  34           HB3      ALA  34   5.085   4.590  -0.400
  275   2HB   ALA  34           HB2      ALA  34   6.481   3.553  -0.143
  276   3HB   ALA  34           HB1      ALA  34   4.889   3.028   0.388
  277    H    ASN  35           HN       ASN  35   5.373   6.904   0.850
  278    HA   ASN  35           HA       ASN  35   7.940   7.757   0.070
  279   1HB   ASN  35           HB2      ASN  35   5.724   8.975  -0.255
  280   2HB   ASN  35           HB1      ASN  35   5.905   9.557   1.398
  281   1HD2  ASN  35          HD22      ASN  35   9.278  10.805  -0.244
  282   2HD2  ASN  35          HD21      ASN  35   9.015   9.258   0.401
  283    H    ASP  36           HN       ASP  36   6.443   7.752   3.255
  284    HA   ASP  36           HA       ASP  36   8.618   9.177   4.545
  285   1HB   ASP  36           HB2      ASP  36   6.285   7.549   5.541
  286   2HB   ASP  36           HB1      ASP  36   7.507   8.163   6.651
  287    H    ASN  37           HN       ASN  37   8.992   6.553   2.947
  288    HA   ASN  37           HA       ASN  37  10.886   5.359   4.909
  289   1HB   ASN  37           HB2      ASN  37   9.013   3.720   3.183
  290   2HB   ASN  37           HB1      ASN  37  10.181   3.097   4.346
  291   1HD2  ASN  37          HD22      ASN  37   6.557   4.364   5.621
  292   2HD2  ASN  37          HD21      ASN  37   6.973   4.346   3.975
  293    H    GLY  38           HN       GLY  38   9.852   5.793   1.589
  294   1HA   GLY  38           HA2      GLY  38  11.435   6.291  -0.183
  295   2HA   GLY  38           HA1      GLY  38  12.681   5.450   0.734
  296    H    VAL  39           HN       VAL  39   9.418   4.295   0.061
  297    HA   VAL  39           HA       VAL  39  10.613   2.072  -1.560
  298    HB   VAL  39           HB       VAL  39   8.201   2.026   0.279
  299   1HG1  VAL  39          HG12      VAL  39   9.310   0.100  -1.751
  300   2HG1  VAL  39          HG11      VAL  39   8.548  -0.534  -0.296
  301   3HG1  VAL  39          HG13      VAL  39   7.630   0.490  -1.395
  302   1HG2  VAL  39          HG21      VAL  39  10.764   1.934   1.064
  303   2HG2  VAL  39          HG23      VAL  39   9.540   0.910   1.809
  304   3HG2  VAL  39          HG22      VAL  39  10.599   0.255   0.563
  305    H    ASP  40           HN       ASP  40  10.281   3.144  -3.546
  306    HA   ASP  40           HA       ASP  40   7.423   3.197  -4.406
  307   1HB   ASP  40           HB2      ASP  40   9.447   5.345  -5.094
  308   2HB   ASP  40           HB1      ASP  40   7.752   5.307  -5.577
  309    H    GLY  41           HN       GLY  41   7.173   1.933  -6.126
  310   1HA   GLY  41           HA2      GLY  41   8.878   2.065  -8.441
  311   2HA   GLY  41           HA1      GLY  41   9.247   0.619  -7.504
  312    H    GLU  42           HN       GLU  42   7.669  -1.005  -7.303
  313    HA   GLU  42           HA       GLU  42   5.552  -0.886  -9.410
  314   1HB   GLU  42           HB2      GLU  42   7.001  -3.151  -8.069
  315   2HB   GLU  42           HB1      GLU  42   5.548  -3.418  -9.020
  316   1HG   GLU  42           HG2      GLU  42   7.684  -1.741 -10.262
  317   2HG   GLU  42           HG1      GLU  42   8.004  -3.467 -10.127
  318    CH2  TRP  43           CH2      TRP  43   2.188   2.453  -2.120
  319    H    TRP  43           HN       TRP  43   3.480  -0.838  -8.818
  320    HA   TRP  43           HA       TRP  43   2.818  -1.450  -5.960
  321   1HB   TRP  43           HB2      TRP  43   1.865   0.674  -7.846
  322   2HB   TRP  43           HB1      TRP  43   0.858   0.176  -6.497
  323    HD1  TRP  43           HD1      TRP  43   4.503   1.300  -7.162
  324    HE1  TRP  43           HE1      TRP  43   5.208   2.651  -5.127
  325    HE3  TRP  43           HE3      TRP  43   0.455   0.643  -4.349
  326    HZ2  TRP  43           HZ2      TRP  43   4.126   3.285  -2.435
  327    HZ3  TRP  43           HZ3      TRP  43   0.273   1.517  -2.077
  328    HH2  TRP  43           HH2      TRP  43   2.105   2.834  -1.112
  329    H    THR  44           HN       THR  44   1.237  -2.863  -5.551
  330    HA   THR  44           HA       THR  44  -0.365  -3.885  -7.868
  331    HB   THR  44           HB       THR  44  -0.326  -6.100  -6.461
  332    HG1  THR  44           HG1      THR  44   1.786  -5.957  -5.267
  333   1HG2  THR  44          HG23      THR  44   1.848  -4.880  -8.103
  334   2HG2  THR  44          HG22      THR  44   2.312  -6.260  -7.113
  335   3HG2  THR  44          HG21      THR  44   1.036  -6.428  -8.314
  336    OH   TYR  45           OH       TYR  45  -8.834  -1.202  -3.161
  337    H    TYR  45           HN       TYR  45  -2.364  -5.051  -7.124
  338    HA   TYR  45           HA       TYR  45  -3.538  -3.944  -4.623
  339   1HB   TYR  45           HB2      TYR  45  -4.007  -2.499  -6.726
  340   2HB   TYR  45           HB1      TYR  45  -5.038  -3.832  -7.249
  341    HD1  TYR  45           HD1      TYR  45  -6.584  -4.681  -4.943
  342    HD2  TYR  45           HD2      TYR  45  -5.262  -0.753  -5.888
  343    HE1  TYR  45           HE1      TYR  45  -8.345  -3.750  -3.539
  344    HE2  TYR  45           HE2      TYR  45  -7.069   0.178  -4.529
  345    HH   TYR  45           HH       TYR  45  -9.629  -1.710  -3.329
  346    H    ASP  46           HN       ASP  46  -4.553  -5.545  -3.562
  347    HA   ASP  46           HA       ASP  46  -5.309  -8.005  -5.088
  348   1HB   ASP  46           HB2      ASP  46  -3.662  -8.083  -3.097
  349   2HB   ASP  46           HB1      ASP  46  -5.082  -7.812  -2.090
  350    H    ASP  47           HN       ASP  47  -7.259  -6.730  -5.744
  351    HA   ASP  47           HA       ASP  47  -9.236  -5.937  -3.819
  352   1HB   ASP  47           HB2      ASP  47  -9.127  -5.257  -6.267
  353   2HB   ASP  47           HB1      ASP  47  -9.790  -6.844  -6.651
  354    H    ALA  48           HN       ALA  48  -8.049  -8.908  -4.241
  355    HA   ALA  48           HA       ALA  48 -10.551 -10.434  -4.276
  356   1HB   ALA  48           HB1      ALA  48  -7.948 -11.037  -4.914
  357   2HB   ALA  48           HB3      ALA  48  -8.128 -11.811  -3.342
  358   3HB   ALA  48           HB2      ALA  48  -9.219 -12.229  -4.660
  359    H    THR  49           HN       THR  49  -8.276  -9.234  -1.902
  360    HA   THR  49           HA       THR  49 -10.147 -10.127   0.244
  361    HB   THR  49           HB       THR  49  -8.153 -10.789   1.647
  362    HG1  THR  49           HG1      THR  49  -6.347 -10.030   0.849
  363   1HG2  THR  49          HG21      THR  49  -9.279 -12.278  -0.430
  364   2HG2  THR  49          HG23      THR  49  -7.558 -12.318  -0.797
  365   3HG2  THR  49          HG22      THR  49  -8.142 -12.906   0.758
  366    H    LYS  50           HN       LYS  50  -9.200  -7.543  -1.179
  367    HA   LYS  50           HA       LYS  50  -8.852  -5.312  -0.541
  368   1HB   LYS  50           HB2      LYS  50  -9.649  -6.168   2.242
  369   2HB   LYS  50           HB1      LYS  50  -9.865  -4.593   1.487
  370   1HG   LYS  50           HG2      LYS  50 -11.447  -5.592  -0.138
  371   2HG   LYS  50           HG1      LYS  50 -11.238  -7.164   0.625
  372   1HD   LYS  50           HD2      LYS  50 -12.641  -6.635   2.327
  373   2HD   LYS  50           HD1      LYS  50 -11.889  -5.062   2.561
  374   1HE   LYS  50           HE2      LYS  50 -13.862  -5.725   0.351
  375   2HE   LYS  50           HE1      LYS  50 -14.269  -4.874   1.836
  376   1HZ   LYS  50           HZ3      LYS  50 -12.040  -3.644   0.655
  377   2HZ   LYS  50           HZ2      LYS  50 -13.255  -3.810  -0.520
  378   3HZ   LYS  50           HZ1      LYS  50 -13.586  -2.999   0.935
  379    H    THR  51           HN       THR  51  -6.551  -6.287  -0.820
  380    HA   THR  51           HA       THR  51  -5.001  -5.452   1.580
  381    HB   THR  51           HB       THR  51  -4.867  -8.157   0.214
  382    HG1  THR  51           HG1      THR  51  -5.343  -8.709   2.236
  383   1HG2  THR  51          HG21      THR  51  -2.740  -6.843   1.952
  384   2HG2  THR  51          HG23      THR  51  -2.784  -8.548   1.529
  385   3HG2  THR  51          HG22      THR  51  -2.513  -7.340   0.280
  386    H    PHE  52           HN       PHE  52  -3.737  -3.813   0.833
  387    HA   PHE  52           HA       PHE  52  -3.041  -3.644  -1.995
  388   1HB   PHE  52           HB2      PHE  52  -3.029  -1.893   0.298
  389   2HB   PHE  52           HB1      PHE  52  -1.496  -1.806  -0.559
  390    HD1  PHE  52           HD1      PHE  52  -1.458  -1.184  -2.995
  391    HD2  PHE  52           HD2      PHE  52  -5.053  -1.147  -0.746
  392    HE1  PHE  52           HE1      PHE  52  -2.567   0.128  -4.762
  393    HE2  PHE  52           HE2      PHE  52  -6.109   0.276  -2.422
  394    HZ   PHE  52           HZ       PHE  52  -4.857   0.948  -4.418
  395    H    THR  53           HN       THR  53  -0.742  -3.434  -2.679
  396    HA   THR  53           HA       THR  53   1.290  -4.507  -0.863
  397    HB   THR  53           HB       THR  53   0.416  -6.113  -3.296
  398    HG1  THR  53           HG1      THR  53  -0.641  -7.164  -1.788
  399   1HG2  THR  53          HG22      THR  53   2.937  -5.988  -1.857
  400   2HG2  THR  53          HG21      THR  53   2.145  -7.528  -1.536
  401   3HG2  THR  53          HG23      THR  53   2.501  -7.050  -3.193
  402    H    VAL  54           HN       VAL  54   3.323  -3.932  -1.485
  403    HA   VAL  54           HA       VAL  54   3.710  -2.873  -4.238
  404    HB   VAL  54           HB       VAL  54   3.058  -0.972  -2.724
  405   1HG1  VAL  54          HG12      VAL  54   4.162  -2.046  -0.715
  406   2HG1  VAL  54          HG11      VAL  54   5.708  -1.524  -1.374
  407   3HG1  VAL  54          HG13      VAL  54   4.495  -0.332  -0.918
  408   1HG2  VAL  54          HG21      VAL  54   5.877  -1.032  -3.838
  409   2HG2  VAL  54          HG23      VAL  54   4.431  -0.418  -4.621
  410   3HG2  VAL  54          HG22      VAL  54   5.109   0.431  -3.244
  411    H    THR  55           HN       THR  55   5.890  -2.908  -4.892
  412    HA   THR  55           HA       THR  55   7.874  -4.054  -2.999
  413    HB   THR  55           HB       THR  55   7.209  -5.372  -5.669
  414    HG1  THR  55           HG1      THR  55   6.114  -6.741  -4.402
  415   1HG2  THR  55          HG21      THR  55   9.415  -5.637  -3.696
  416   2HG2  THR  55          HG23      THR  55   8.608  -7.147  -4.107
  417   3HG2  THR  55          HG22      THR  55   9.352  -6.174  -5.368
  418    H    GLU  56           HN       GLU  56   9.573  -2.695  -3.179
  419    HA   GLU  56           HA       GLU  56  10.006  -0.939  -5.397
  420   1HB   GLU  56           HB2      GLU  56  11.114  -1.279  -2.860
  421   2HB   GLU  56           HB1      GLU  56  12.452  -1.584  -3.956
  422   1HG   GLU  56           HG2      GLU  56  10.637   0.853  -4.017
  423   2HG   GLU  56           HG1      GLU  56  12.293   0.824  -3.417
   
  Start of MODEL          26
 Raw file had 423 H/Q atoms
  Entry Start of MODEL   26
    1   1H    MET   1           HT3      MET   1 -13.415   2.106   3.548
    2   2H    MET   1           HT2      MET   1 -14.252   1.402   2.249
    3   3H    MET   1           HT1      MET   1 -14.915   1.354   3.812
    4    HA   MET   1           HA       MET   1 -13.807  -0.471   4.351
    5   1HB   MET   1           HB2      MET   1 -12.788  -0.479   1.502
    6   2HB   MET   1           HB1      MET   1 -13.074  -1.871   2.541
    7   1HG   MET   1           HG2      MET   1 -15.068  -1.954   1.478
    8   2HG   MET   1           HG1      MET   1 -15.510  -0.733   2.641
    9   1HE   MET   1           HE2      MET   1 -17.516  -0.666   1.013
   10   2HE   MET   1           HE1      MET   1 -17.184   0.868   1.817
   11   3HE   MET   1           HE3      MET   1 -17.613   0.844   0.107
   12    H    THR   2           HN       THR   2 -11.711  -1.504   4.698
   13    HA   THR   2           HA       THR   2  -9.435   0.440   4.495
   14    HB   THR   2           HB       THR   2  -9.713  -1.573   6.746
   15    HG1  THR   2           HG1      THR   2 -11.227  -0.305   7.509
   16   1HG2  THR   2          HG23      THR   2  -7.594  -0.041   6.165
   17   2HG2  THR   2          HG22      THR   2  -8.582   1.206   6.920
   18   3HG2  THR   2          HG21      THR   2  -8.127  -0.229   7.833
   19    OH   TYR   3           OH       TYR   3 -11.614   0.081  -1.102
   20    H    TYR   3           HN       TYR   3  -7.871  -0.313   3.217
   21    HA   TYR   3           HA       TYR   3  -7.686  -3.252   2.769
   22   1HB   TYR   3           HB2      TYR   3  -6.102  -1.157   1.298
   23   2HB   TYR   3           HB1      TYR   3  -6.522  -2.777   0.768
   24    HD1  TYR   3           HD1      TYR   3  -8.037   0.529   1.633
   25    HD2  TYR   3           HD2      TYR   3  -8.515  -3.145  -0.442
   26    HE1  TYR   3           HE1      TYR   3 -10.087   1.381   0.592
   27    HE2  TYR   3           HE2      TYR   3 -10.558  -2.294  -1.489
   28    HH   TYR   3           HH       TYR   3 -11.892  -0.548  -1.770
   29    H    LYS   4           HN       LYS   4  -5.509  -4.208   2.691
   30    HA   LYS   4           HA       LYS   4  -3.793  -3.048   4.853
   31   1HB   LYS   4           HB2      LYS   4  -4.929  -5.472   4.853
   32   2HB   LYS   4           HB1      LYS   4  -3.490  -5.867   3.931
   33   1HG   LYS   4           HG2      LYS   4  -2.118  -4.764   5.756
   34   2HG   LYS   4           HG1      LYS   4  -3.595  -4.627   6.692
   35   1HD   LYS   4           HD2      LYS   4  -2.969  -7.334   5.602
   36   2HD   LYS   4           HD1      LYS   4  -1.955  -6.753   6.913
   37   1HE   LYS   4           HE2      LYS   4  -3.924  -7.993   7.771
   38   2HE   LYS   4           HE1      LYS   4  -3.942  -6.312   8.290
   39   1HZ   LYS   4           HZ3      LYS   4  -5.305  -6.993   5.796
   40   2HZ   LYS   4           HZ2      LYS   4  -6.044  -7.447   7.257
   41   3HZ   LYS   4           HZ1      LYS   4  -5.687  -5.813   6.956
   42    H    LEU   5           HN       LEU   5  -1.956  -2.149   4.155
   43    HA   LEU   5           HA       LEU   5  -0.934  -2.790   1.475
   44   1HB   LEU   5           HB2      LEU   5  -0.879  -0.461   2.087
   45   2HB   LEU   5           HB1      LEU   5  -0.108  -0.808   3.626
   46    HG   LEU   5           HG       LEU   5   1.945  -1.601   2.322
   47   1HD1  LEU   5          HD11      LEU   5   0.387  -0.390   0.015
   48   2HD1  LEU   5          HD13      LEU   5   2.081  -0.855  -0.051
   49   3HD1  LEU   5          HD12      LEU   5   0.841  -2.083   0.168
   50   1HD2  LEU   5          HD23      LEU   5   1.568   0.758   3.259
   51   2HD2  LEU   5          HD22      LEU   5   2.780   0.594   1.994
   52   3HD2  LEU   5          HD21      LEU   5   1.187   1.226   1.608
   53    H    ILE   6           HN       ILE   6   1.182  -3.587   1.097
   54    HA   ILE   6           HA       ILE   6   2.606  -4.760   3.393
   55    HB   ILE   6           HB       ILE   6   1.692  -6.200   0.911
   56   1HG1  ILE   6          HG12      ILE   6   1.546  -6.889   3.871
   57   2HG1  ILE   6          HG11      ILE   6   0.241  -6.126   2.976
   58   1HG2  ILE   6          HG22      ILE   6   3.962  -6.823   2.812
   59   2HG2  ILE   6          HG21      ILE   6   3.143  -8.101   1.923
   60   3HG2  ILE   6          HG23      ILE   6   3.984  -6.827   1.053
   61   1HD1  ILE   6           HD2      ILE   6   0.875  -8.312   1.383
   62   2HD1  ILE   6           HD1      ILE   6   1.074  -8.942   3.015
   63   3HD1  ILE   6           HD3      ILE   6  -0.463  -8.238   2.524
   64    H    LEU   7           HN       LEU   7   4.403  -3.528   3.312
   65    HA   LEU   7           HA       LEU   7   5.586  -2.700   0.778
   66   1HB   LEU   7           HB2      LEU   7   6.495  -2.413   3.641
   67   2HB   LEU   7           HB1      LEU   7   7.372  -1.742   2.272
   68    HG   LEU   7           HG       LEU   7   4.528  -1.087   2.158
   69   1HD1  LEU   7          HD13      LEU   7   6.146  -0.166   4.559
   70   2HD1  LEU   7          HD12      LEU   7   4.591   0.505   4.078
   71   3HD1  LEU   7          HD11      LEU   7   4.700  -1.170   4.611
   72   1HD2  LEU   7          HD22      LEU   7   6.352   0.002   0.855
   73   2HD2  LEU   7          HD21      LEU   7   5.459   1.170   1.824
   74   3HD2  LEU   7          HD23      LEU   7   7.041   0.610   2.357
   75    H    ASN   8           HN       ASN   8   6.816  -3.971  -0.430
   76    HA   ASN   8           HA       ASN   8   8.373  -6.142   0.903
   77   1HB   ASN   8           HB2      ASN   8   6.827  -5.938  -1.544
   78   2HB   ASN   8           HB1      ASN   8   8.456  -6.472  -1.901
   79   1HD2  ASN   8          HD22      ASN   8   5.929  -9.139  -0.594
   80   2HD2  ASN   8          HD21      ASN   8   5.555  -7.727  -1.448
   81    H    GLY   9           HN       GLY   9   9.303  -3.510   1.087
   82   1HA   GLY   9           HA2      GLY   9  11.087  -2.661  -0.925
   83   2HA   GLY   9           HA1      GLY   9  11.289  -2.292   0.780
   84    H    LYS  10           HN       LYS  10  13.199  -3.098  -1.402
   85    HA   LYS  10           HA       LYS  10  14.164  -5.739  -0.978
   86   1HB   LYS  10           HB2      LYS  10  16.323  -3.838  -1.427
   87   2HB   LYS  10           HB1      LYS  10  15.733  -5.119  -2.478
   88   1HG   LYS  10           HG2      LYS  10  13.799  -3.603  -3.095
   89   2HG   LYS  10           HG1      LYS  10  14.605  -2.317  -2.201
   90   1HD   LYS  10           HD2      LYS  10  15.500  -1.920  -4.297
   91   2HD   LYS  10           HD1      LYS  10  16.680  -3.084  -3.708
   92   1HE   LYS  10           HE2      LYS  10  14.993  -4.855  -4.697
   93   2HE   LYS  10           HE1      LYS  10  14.430  -3.494  -5.658
   94   1HZ   LYS  10           HZ1      LYS  10  17.300  -4.131  -5.494
   95   2HZ   LYS  10           HZ3      LYS  10  16.290  -4.957  -6.581
   96   3HZ   LYS  10           HZ2      LYS  10  16.463  -3.271  -6.695
   97    H    THR  11           HN       THR  11  15.383  -2.704   0.430
   98    HA   THR  11           HA       THR  11  16.793  -4.268   2.503
   99    HB   THR  11           HB       THR  11  17.585  -1.854   3.135
  100    HG1  THR  11           HG1      THR  11  16.216  -0.571   2.088
  101   1HG2  THR  11          HG22      THR  11  18.362  -3.583   0.927
  102   2HG2  THR  11          HG21      THR  11  18.538  -1.894   0.462
  103   3HG2  THR  11          HG23      THR  11  19.381  -2.509   1.879
  104    H    LEU  12           HN       LEU  12  13.728  -3.218   2.141
  105    HA   LEU  12           HA       LEU  12  13.351  -3.107   5.074
  106   1HB   LEU  12           HB2      LEU  12  13.708  -0.732   4.104
  107   2HB   LEU  12           HB1      LEU  12  12.102  -0.931   3.411
  108    HG   LEU  12           HG       LEU  12  11.588  -1.754   5.937
  109   1HD1  LEU  12          HD12      LEU  12  14.091  -1.180   6.413
  110   2HD1  LEU  12          HD11      LEU  12  13.550   0.495   6.383
  111   3HD1  LEU  12          HD13      LEU  12  12.877  -0.626   7.562
  112   1HD2  LEU  12          HD21      LEU  12  11.715   1.115   4.946
  113   2HD2  LEU  12          HD23      LEU  12  10.358   0.007   4.763
  114   3HD2  LEU  12          HD22      LEU  12  10.809   0.591   6.362
  115    H    LYS  13           HN       LYS  13  11.273  -3.626   5.750
  116    HA   LYS  13           HA       LYS  13   9.226  -4.199   3.683
  117   1HB   LYS  13           HB2      LYS  13  10.360  -6.244   5.600
  118   2HB   LYS  13           HB1      LYS  13   8.833  -6.463   4.764
  119   1HG   LYS  13           HG2      LYS  13   9.997  -6.223   2.590
  120   2HG   LYS  13           HG1      LYS  13  11.526  -6.012   3.432
  121   1HD   LYS  13           HD2      LYS  13  11.439  -8.240   4.334
  122   2HD   LYS  13           HD1      LYS  13   9.771  -8.452   3.812
  123   1HE   LYS  13           HE2      LYS  13  11.685  -7.733   1.666
  124   2HE   LYS  13           HE1      LYS  13  11.921  -9.323   2.379
  125   1HZ   LYS  13           HZ2      LYS  13   9.300  -8.352   1.412
  126   2HZ   LYS  13           HZ1      LYS  13  10.378  -9.244   0.449
  127   3HZ   LYS  13           HZ3      LYS  13   9.720  -9.936   1.854
  128    H    GLY  14           HN       GLY  14   7.155  -3.900   4.444
  129   1HA   GLY  14           HA2      GLY  14   6.699  -3.765   7.356
  130   2HA   GLY  14           HA1      GLY  14   6.486  -2.252   6.482
  131    H    GLU  15           HN       GLU  15   4.281  -2.600   7.462
  132    HA   GLU  15           HA       GLU  15   2.426  -3.347   5.428
  133   1HB   GLU  15           HB2      GLU  15   2.805  -5.634   5.861
  134   2HB   GLU  15           HB1      GLU  15   2.979  -5.370   7.591
  135   1HG   GLU  15           HG2      GLU  15   0.355  -4.681   6.301
  136   2HG   GLU  15           HG1      GLU  15   0.726  -6.375   6.604
  137    H    THR  16           HN       THR  16   0.843  -1.931   5.785
  138    HA   THR  16           HA       THR  16  -0.159  -1.559   8.566
  139    HB   THR  16           HB       THR  16   1.548   0.285   7.985
  140    HG1  THR  16           HG1      THR  16  -1.210   0.720   8.515
  141   1HG2  THR  16          HG21      THR  16   0.228   0.443   5.587
  142   2HG2  THR  16          HG23      THR  16  -0.651   1.649   6.524
  143   3HG2  THR  16          HG22      THR  16   1.088   1.802   6.303
  144    H    THR  17           HN       THR  17  -2.222  -0.137   8.482
  145    HA   THR  17           HA       THR  17  -3.770  -0.832   6.004
  146    HB   THR  17           HB       THR  17  -5.612  -1.592   7.305
  147    HG1  THR  17           HG1      THR  17  -5.765   0.144   8.673
  148   1HG2  THR  17          HG23      THR  17  -3.146  -2.742   7.938
  149   2HG2  THR  17          HG22      THR  17  -3.788  -2.290   9.510
  150   3HG2  THR  17          HG21      THR  17  -4.707  -3.361   8.457
  151    H    THR  18           HN       THR  18  -5.191   0.682   5.244
  152    HA   THR  18           HA       THR  18  -5.509   3.204   6.813
  153    HB   THR  18           HB       THR  18  -3.700   3.294   4.891
  154    HG1  THR  18           HG1      THR  18  -4.180   5.283   5.435
  155   1HG2  THR  18          HG22      THR  18  -5.610   2.316   3.272
  156   2HG2  THR  18          HG21      THR  18  -6.114   4.001   3.245
  157   3HG2  THR  18          HG23      THR  18  -4.501   3.555   2.699
  158    H    GLU  19           HN       GLU  19  -7.436   4.330   6.425
  159    HA   GLU  19           HA       GLU  19  -9.606   2.654   5.355
  160   1HB   GLU  19           HB2      GLU  19  -9.402   4.602   7.373
  161   2HB   GLU  19           HB1      GLU  19 -10.422   5.320   6.132
  162   1HG   GLU  19           HG2      GLU  19 -11.772   3.184   6.111
  163   2HG   GLU  19           HG1      GLU  19 -10.829   2.639   7.495
  164    H    ALA  20           HN       ALA  20 -10.291   2.797   3.318
  165    HA   ALA  20           HA       ALA  20 -10.135   5.417   1.915
  166   1HB   ALA  20           HB3      ALA  20  -8.585   3.020   1.306
  167   2HB   ALA  20           HB2      ALA  20  -9.536   3.566  -0.072
  168   3HB   ALA  20           HB1      ALA  20  -8.388   4.657   0.697
  169    H    VAL  21           HN       VAL  21 -12.039   5.882   1.004
  170    HA   VAL  21           HA       VAL  21 -14.187   3.929   0.959
  171    HB   VAL  21           HB       VAL  21 -14.838   6.185   1.345
  172   1HG1  VAL  21          HG12      VAL  21 -13.182   6.769  -1.126
  173   2HG1  VAL  21          HG11      VAL  21 -14.311   7.938  -0.447
  174   3HG1  VAL  21          HG13      VAL  21 -12.936   7.387   0.505
  175   1HG2  VAL  21          HG21      VAL  21 -16.095   4.729  -0.481
  176   2HG2  VAL  21          HG23      VAL  21 -16.547   6.412  -0.230
  177   3HG2  VAL  21          HG22      VAL  21 -15.502   5.972  -1.577
  178    H    ASP  22           HN       ASP  22 -11.824   5.044  -1.312
  179    HA   ASP  22           HA       ASP  22 -12.913   3.128  -3.312
  180   1HB   ASP  22           HB2      ASP  22 -12.691   4.717  -5.124
  181   2HB   ASP  22           HB1      ASP  22 -13.684   5.461  -3.874
  182    H    ALA  23           HN       ALA  23 -11.318   2.518  -4.943
  183    HA   ALA  23           HA       ALA  23  -8.765   1.945  -3.770
  184   1HB   ALA  23           HB3      ALA  23 -10.014   1.586  -6.455
  185   2HB   ALA  23           HB2      ALA  23  -8.263   1.444  -6.340
  186   3HB   ALA  23           HB1      ALA  23  -9.296   0.386  -5.384
  187    H    ALA  24           HN       ALA  24  -9.886   4.482  -5.911
  188    HA   ALA  24           HA       ALA  24  -7.385   5.457  -6.818
  189   1HB   ALA  24           HB3      ALA  24 -10.021   6.230  -7.096
  190   2HB   ALA  24           HB2      ALA  24  -9.322   7.564  -6.183
  191   3HB   ALA  24           HB1      ALA  24  -8.635   7.106  -7.738
  192    H    THR  25           HN       THR  25  -9.296   6.626  -4.045
  193    HA   THR  25           HA       THR  25  -7.266   8.374  -3.061
  194    HB   THR  25           HB       THR  25  -9.847   8.091  -2.380
  195    HG1  THR  25           HG1      THR  25  -7.580   8.850  -0.847
  196   1HG2  THR  25          HG23      THR  25  -9.176   5.835  -1.196
  197   2HG2  THR  25          HG22      THR  25  -8.430   6.888   0.004
  198   3HG2  THR  25          HG21      THR  25 -10.161   6.986  -0.300
  199    H    ALA  26           HN       ALA  26  -7.617   4.951  -2.890
  200    HA   ALA  26           HA       ALA  26  -5.921   4.592  -0.546
  201   1HB   ALA  26           HB1      ALA  26  -7.613   2.906  -1.309
  202   2HB   ALA  26           HB3      ALA  26  -6.593   2.580  -2.707
  203   3HB   ALA  26           HB2      ALA  26  -6.004   2.227  -1.086
  204    H    GLU  27           HN       GLU  27  -5.465   4.394  -4.051
  205    HA   GLU  27           HA       GLU  27  -2.796   3.499  -4.109
  206   1HB   GLU  27           HB2      GLU  27  -4.498   5.158  -5.916
  207   2HB   GLU  27           HB1      GLU  27  -2.769   5.111  -6.232
  208   1HG   GLU  27           HG2      GLU  27  -2.850   2.626  -6.270
  209   2HG   GLU  27           HG1      GLU  27  -4.586   2.692  -5.984
  210    H    LYS  28           HN       LYS  28  -4.031   6.818  -3.822
  211    HA   LYS  28           HA       LYS  28  -1.332   7.932  -3.676
  212   1HB   LYS  28           HB2      LYS  28  -2.980   9.918  -2.752
  213   2HB   LYS  28           HB1      LYS  28  -2.607   9.636  -4.449
  214   1HG   LYS  28           HG2      LYS  28  -4.591   8.284  -4.734
  215   2HG   LYS  28           HG1      LYS  28  -4.906   8.286  -3.002
  216   1HD   LYS  28           HD2      LYS  28  -5.933  10.304  -3.103
  217   2HD   LYS  28           HD1      LYS  28  -4.628  10.996  -4.061
  218   1HE   LYS  28           HE2      LYS  28  -5.557  10.097  -6.104
  219   2HE   LYS  28           HE1      LYS  28  -6.742   9.152  -5.213
  220   1HZ   LYS  28           HZ2      LYS  28  -7.243  11.625  -4.323
  221   2HZ   LYS  28           HZ1      LYS  28  -6.764  11.950  -5.920
  222   3HZ   LYS  28           HZ3      LYS  28  -8.057  10.891  -5.620
  223    H    VAL  29           HN       VAL  29  -3.944   7.313  -1.357
  224    HA   VAL  29           HA       VAL  29  -2.790   8.514   0.917
  225    HB   VAL  29           HB       VAL  29  -4.541   6.074   0.624
  226   1HG1  VAL  29          HG12      VAL  29  -3.365   7.360   3.092
  227   2HG1  VAL  29          HG11      VAL  29  -4.907   6.511   3.160
  228   3HG1  VAL  29          HG13      VAL  29  -3.447   5.649   2.686
  229   1HG2  VAL  29          HG22      VAL  29  -5.178   8.645   0.236
  230   2HG2  VAL  29          HG21      VAL  29  -6.296   7.539   1.029
  231   3HG2  VAL  29          HG23      VAL  29  -5.300   8.626   1.992
  232    H    PHE  30           HN       PHE  30  -2.524   5.096  -0.057
  233    HA   PHE  30           HA       PHE  30  -0.562   4.458   1.931
  234   1HB   PHE  30           HB2      PHE  30  -1.502   3.160  -0.603
  235   2HB   PHE  30           HB1      PHE  30  -0.036   2.565   0.156
  236    HD1  PHE  30           HD1      PHE  30  -0.360   2.397   2.916
  237    HD2  PHE  30           HD2      PHE  30  -3.431   1.981  -0.013
  238    HE1  PHE  30           HE1      PHE  30  -1.736   1.138   4.518
  239    HE2  PHE  30           HE2      PHE  30  -4.769   0.703   1.592
  240    HZ   PHE  30           HZ       PHE  30  -3.919   0.246   3.844
  241    H    LYS  31           HN       LYS  31  -0.257   5.373  -1.489
  242    HA   LYS  31           HA       LYS  31   2.531   5.080  -1.763
  243   1HB   LYS  31           HB2      LYS  31   1.067   5.654  -3.643
  244   2HB   LYS  31           HB1      LYS  31   0.775   7.242  -2.941
  245   1HG   LYS  31           HG2      LYS  31   3.053   7.908  -3.229
  246   2HG   LYS  31           HG1      LYS  31   3.574   6.263  -3.566
  247   1HD   LYS  31           HD2      LYS  31   1.647   7.839  -5.318
  248   2HD   LYS  31           HD1      LYS  31   3.372   7.714  -5.629
  249   1HE   LYS  31           HE2      LYS  31   2.832   5.868  -6.847
  250   2HE   LYS  31           HE1      LYS  31   2.649   5.061  -5.296
  251   1HZ   LYS  31           HZ3      LYS  31   0.319   6.535  -5.947
  252   2HZ   LYS  31           HZ2      LYS  31   0.708   5.454  -7.196
  253   3HZ   LYS  31           HZ1      LYS  31   0.487   4.878  -5.614
  254    H    GLN  32           HN       GLN  32   0.693   7.701  -0.295
  255    HA   GLN  32           HA       GLN  32   2.887   9.499   0.075
  256   1HB   GLN  32           HB2      GLN  32   0.669  10.343   0.413
  257   2HB   GLN  32           HB1      GLN  32   0.312   9.107   1.611
  258   1HG   GLN  32           HG2      GLN  32   2.663  10.893   2.112
  259   2HG   GLN  32           HG1      GLN  32   1.053  11.567   2.347
  260   1HE2  GLN  32          HE22      GLN  32   1.652  10.179   5.627
  261   2HE2  GLN  32          HE21      GLN  32   1.922  11.579   4.706
  262    OH   TYR  33           OH       TYR  33   5.068   2.582   8.115
  263    H    TYR  33           HN       TYR  33   1.670   6.789   1.955
  264    HA   TYR  33           HA       TYR  33   3.364   7.183   4.245
  265   1HB   TYR  33           HB2      TYR  33   1.394   5.718   4.334
  266   2HB   TYR  33           HB1      TYR  33   2.130   4.641   3.154
  267    HD1  TYR  33           HD1      TYR  33   4.222   3.400   3.746
  268    HD2  TYR  33           HD2      TYR  33   2.062   5.633   6.648
  269    HE1  TYR  33           HE1      TYR  33   5.404   2.218   5.533
  270    HE2  TYR  33           HE2      TYR  33   3.243   4.447   8.440
  271    HH   TYR  33           HH       TYR  33   5.418   3.237   8.726
  272    H    ALA  34           HN       ALA  34   3.650   4.833   1.589
  273    HA   ALA  34           HA       ALA  34   6.149   3.758   2.151
  274   1HB   ALA  34           HB2      ALA  34   4.447   3.887  -0.112
  275   2HB   ALA  34           HB1      ALA  34   6.060   4.327  -0.665
  276   3HB   ALA  34           HB3      ALA  34   5.798   2.790   0.154
  277    H    ASN  35           HN       ASN  35   5.465   6.847   0.568
  278    HA   ASN  35           HA       ASN  35   8.104   7.559  -0.158
  279   1HB   ASN  35           HB2      ASN  35   5.985   8.821  -0.727
  280   2HB   ASN  35           HB1      ASN  35   6.023   9.480   0.906
  281   1HD2  ASN  35          HD22      ASN  35   8.108  12.068  -0.231
  282   2HD2  ASN  35          HD21      ASN  35   6.719  11.611   0.630
  283    H    ASP  36           HN       ASP  36   6.422   7.899   2.923
  284    HA   ASP  36           HA       ASP  36   8.590   9.325   4.217
  285   1HB   ASP  36           HB2      ASP  36   6.139   7.881   5.218
  286   2HB   ASP  36           HB1      ASP  36   7.322   8.560   6.331
  287    H    ASN  37           HN       ASN  37   8.898   6.532   2.880
  288    HA   ASN  37           HA       ASN  37  10.638   5.451   5.041
  289   1HB   ASN  37           HB2      ASN  37   8.402   4.037   3.632
  290   2HB   ASN  37           HB1      ASN  37   9.823   3.117   4.122
  291   1HD2  ASN  37          HD22      ASN  37   7.102   4.167   6.889
  292   2HD2  ASN  37          HD21      ASN  37   6.848   4.373   5.223
  293    H    GLY  38           HN       GLY  38   9.850   5.718   1.647
  294   1HA   GLY  38           HA2      GLY  38  11.586   5.966  -0.033
  295   2HA   GLY  38           HA1      GLY  38  12.682   5.064   1.010
  296    H    VAL  39           HN       VAL  39   9.424   4.433  -0.278
  297    HA   VAL  39           HA       VAL  39  10.496   2.018  -1.650
  298    HB   VAL  39           HB       VAL  39   8.006   1.935   0.070
  299   1HG1  VAL  39          HG12      VAL  39   9.715  -0.172  -1.299
  300   2HG1  VAL  39          HG11      VAL  39   8.389  -0.534  -0.197
  301   3HG1  VAL  39          HG13      VAL  39   8.067   0.278  -1.726
  302   1HG2  VAL  39          HG21      VAL  39  10.841   1.026   0.685
  303   2HG2  VAL  39          HG23      VAL  39   9.955   2.300   1.518
  304   3HG2  VAL  39          HG22      VAL  39   9.431   0.626   1.659
  305    H    ASP  40           HN       ASP  40  10.123   2.960  -3.652
  306    HA   ASP  40           HA       ASP  40   7.273   3.055  -4.452
  307   1HB   ASP  40           HB2      ASP  40   9.100   5.383  -4.331
  308   2HB   ASP  40           HB1      ASP  40   8.157   5.230  -5.811
  309    H    GLY  41           HN       GLY  41   6.993   2.083  -6.360
  310   1HA   GLY  41           HA2      GLY  41   8.642   2.315  -8.641
  311   2HA   GLY  41           HA1      GLY  41   9.187   0.887  -7.766
  312    H    GLU  42           HN       GLU  42   7.630  -0.812  -7.369
  313    HA   GLU  42           HA       GLU  42   5.532  -0.912  -9.500
  314   1HB   GLU  42           HB2      GLU  42   6.935  -3.120  -7.999
  315   2HB   GLU  42           HB1      GLU  42   5.695  -3.374  -9.219
  316   1HG   GLU  42           HG2      GLU  42   7.925  -1.601 -10.046
  317   2HG   GLU  42           HG1      GLU  42   8.370  -3.285  -9.780
  318    CH2  TRP  43           CH2      TRP  43   2.344   2.492  -2.151
  319    H    TRP  43           HN       TRP  43   3.504  -0.709  -8.836
  320    HA   TRP  43           HA       TRP  43   2.863  -1.396  -5.993
  321   1HB   TRP  43           HB2      TRP  43   1.840   0.710  -7.869
  322   2HB   TRP  43           HB1      TRP  43   0.886   0.209  -6.483
  323    HD1  TRP  43           HD1      TRP  43   4.484   1.388  -7.285
  324    HE1  TRP  43           HE1      TRP  43   5.236   2.764  -5.280
  325    HE3  TRP  43           HE3      TRP  43   0.560   0.659  -4.320
  326    HZ2  TRP  43           HZ2      TRP  43   4.248   3.373  -2.542
  327    HZ3  TRP  43           HZ3      TRP  43   0.454   1.513  -2.036
  328    HH2  TRP  43           HH2      TRP  43   2.299   2.857  -1.137
  329    H    THR  44           HN       THR  44   1.281  -2.804  -5.573
  330    HA   THR  44           HA       THR  44  -0.331  -3.844  -7.874
  331    HB   THR  44           HB       THR  44  -0.257  -6.066  -6.494
  332    HG1  THR  44           HG1      THR  44   2.157  -5.096  -5.551
  333   1HG2  THR  44          HG21      THR  44   1.783  -4.838  -8.227
  334   2HG2  THR  44          HG23      THR  44   2.463  -6.019  -7.113
  335   3HG2  THR  44          HG22      THR  44   1.187  -6.494  -8.228
  336    OH   TYR  45           OH       TYR  45  -8.855  -1.224  -3.149
  337    H    TYR  45           HN       TYR  45  -2.357  -4.893  -7.214
  338    HA   TYR  45           HA       TYR  45  -3.498  -3.861  -4.653
  339   1HB   TYR  45           HB2      TYR  45  -4.014  -2.402  -6.739
  340   2HB   TYR  45           HB1      TYR  45  -5.026  -3.747  -7.272
  341    HD1  TYR  45           HD1      TYR  45  -6.545  -4.642  -4.964
  342    HD2  TYR  45           HD2      TYR  45  -5.300  -0.684  -5.885
  343    HE1  TYR  45           HE1      TYR  45  -8.312  -3.758  -3.542
  344    HE2  TYR  45           HE2      TYR  45  -7.122   0.201  -4.511
  345    HH   TYR  45           HH       TYR  45  -8.481  -0.573  -2.550
  346    H    ASP  46           HN       ASP  46  -4.510  -5.461  -3.592
  347    HA   ASP  46           HA       ASP  46  -5.291  -7.915  -5.125
  348   1HB   ASP  46           HB2      ASP  46  -3.509  -8.029  -3.260
  349   2HB   ASP  46           HB1      ASP  46  -4.852  -7.796  -2.146
  350    H    ASP  47           HN       ASP  47  -7.344  -6.891  -5.649
  351    HA   ASP  47           HA       ASP  47  -9.170  -6.059  -3.568
  352   1HB   ASP  47           HB2      ASP  47  -9.351  -5.319  -5.940
  353   2HB   ASP  47           HB1      ASP  47  -9.808  -6.960  -6.390
  354    H    ALA  48           HN       ALA  48  -8.164  -9.104  -4.696
  355    HA   ALA  48           HA       ALA  48 -10.560 -10.623  -4.250
  356   1HB   ALA  48           HB1      ALA  48  -8.568 -11.467  -5.493
  357   2HB   ALA  48           HB3      ALA  48  -7.687 -11.545  -3.970
  358   3HB   ALA  48           HB2      ALA  48  -9.093 -12.573  -4.227
  359    H    THR  49           HN       THR  49  -8.259  -9.198  -2.123
  360    HA   THR  49           HA       THR  49  -9.753 -10.321   0.189
  361    HB   THR  49           HB       THR  49  -7.623 -10.876   1.371
  362    HG1  THR  49           HG1      THR  49  -6.029 -10.772  -0.760
  363   1HG2  THR  49          HG22      THR  49  -8.642 -12.635  -0.172
  364   2HG2  THR  49          HG21      THR  49  -7.580 -12.035  -1.443
  365   3HG2  THR  49          HG23      THR  49  -6.896 -12.766   0.006
  366    H    LYS  50           HN       LYS  50  -9.026  -7.680  -1.346
  367    HA   LYS  50           HA       LYS  50  -8.736  -5.431  -0.762
  368   1HB   LYS  50           HB2      LYS  50  -9.705  -6.420   1.932
  369   2HB   LYS  50           HB1      LYS  50  -9.714  -4.750   1.381
  370   1HG   LYS  50           HG2      LYS  50 -11.635  -5.062   0.227
  371   2HG   LYS  50           HG1      LYS  50 -10.999  -6.503  -0.559
  372   1HD   LYS  50           HD2      LYS  50 -12.969  -7.059   0.828
  373   2HD   LYS  50           HD1      LYS  50 -11.521  -7.836   1.460
  374   1HE   LYS  50           HE2      LYS  50 -11.631  -6.669   3.401
  375   2HE   LYS  50           HE1      LYS  50 -11.893  -5.149   2.557
  376   1HZ   LYS  50           HZ3      LYS  50 -14.221  -6.563   2.238
  377   2HZ   LYS  50           HZ2      LYS  50 -13.774  -6.831   3.854
  378   3HZ   LYS  50           HZ1      LYS  50 -13.964  -5.245   3.277
  379    H    THR  51           HN       THR  51  -6.387  -6.387  -0.931
  380    HA   THR  51           HA       THR  51  -4.940  -5.406   1.488
  381    HB   THR  51           HB       THR  51  -4.641  -8.118   0.163
  382    HG1  THR  51           HG1      THR  51  -4.259  -7.940   2.784
  383   1HG2  THR  51          HG22      THR  51  -2.611  -6.715   1.949
  384   2HG2  THR  51          HG21      THR  51  -2.557  -8.407   1.485
  385   3HG2  THR  51          HG23      THR  51  -2.324  -7.156   0.273
  386    H    PHE  52           HN       PHE  52  -3.652  -3.762   0.802
  387    HA   PHE  52           HA       PHE  52  -2.938  -3.549  -2.022
  388   1HB   PHE  52           HB2      PHE  52  -2.986  -1.809   0.285
  389   2HB   PHE  52           HB1      PHE  52  -1.460  -1.670  -0.579
  390    HD1  PHE  52           HD1      PHE  52  -1.464  -1.030  -3.022
  391    HD2  PHE  52           HD2      PHE  52  -5.041  -1.124  -0.748
  392    HE1  PHE  52           HE1      PHE  52  -2.629   0.268  -4.767
  393    HE2  PHE  52           HE2      PHE  52  -6.154   0.283  -2.400
  394    HZ   PHE  52           HZ       PHE  52  -4.936   1.013  -4.397
  395    H    THR  53           HN       THR  53  -0.660  -3.354  -2.713
  396    HA   THR  53           HA       THR  53   1.400  -4.321  -0.868
  397    HB   THR  53           HB       THR  53   0.548  -6.032  -3.233
  398    HG1  THR  53           HG1      THR  53  -0.668  -6.049  -1.221
  399   1HG2  THR  53          HG22      THR  53   2.943  -6.016  -1.410
  400   2HG2  THR  53          HG21      THR  53   2.240  -7.571  -1.843
  401   3HG2  THR  53          HG23      THR  53   2.851  -6.500  -3.100
  402    H    VAL  54           HN       VAL  54   3.417  -3.723  -1.502
  403    HA   VAL  54           HA       VAL  54   3.799  -2.788  -4.301
  404    HB   VAL  54           HB       VAL  54   3.170  -0.813  -2.883
  405   1HG1  VAL  54          HG11      VAL  54   4.185  -1.758  -0.792
  406   2HG1  VAL  54          HG13      VAL  54   5.777  -1.392  -1.450
  407   3HG1  VAL  54          HG12      VAL  54   4.642  -0.091  -1.110
  408   1HG2  VAL  54          HG23      VAL  54   6.006  -0.947  -3.950
  409   2HG2  VAL  54          HG22      VAL  54   4.580  -0.355  -4.783
  410   3HG2  VAL  54          HG21      VAL  54   5.247   0.543  -3.429
  411    H    THR  55           HN       THR  55   5.982  -2.825  -4.953
  412    HA   THR  55           HA       THR  55   7.950  -3.961  -3.037
  413    HB   THR  55           HB       THR  55   7.298  -5.278  -5.710
  414    HG1  THR  55           HG1      THR  55   5.831  -6.071  -4.379
  415   1HG2  THR  55          HG21      THR  55   9.518  -5.519  -3.752
  416   2HG2  THR  55          HG23      THR  55   8.723  -7.038  -4.153
  417   3HG2  THR  55          HG22      THR  55   9.449  -6.061  -5.423
  418    H    GLU  56           HN       GLU  56   9.766  -2.800  -3.221
  419    HA   GLU  56           HA       GLU  56  10.206  -0.930  -5.364
  420   1HB   GLU  56           HB2      GLU  56  11.290  -1.373  -2.839
  421   2HB   GLU  56           HB1      GLU  56  12.632  -1.688  -3.930
  422   1HG   GLU  56           HG2      GLU  56  10.896   0.808  -3.906
  423   2HG   GLU  56           HG1      GLU  56  12.562   0.703  -3.346
   
  Start of MODEL          27
 Raw file had 423 H/Q atoms
  Entry Start of MODEL   27
    1   1H    MET   1           HT3      MET   1 -13.559   2.097   4.520
    2   2H    MET   1           HT2      MET   1 -13.706   2.455   2.866
    3   3H    MET   1           HT1      MET   1 -14.915   1.557   3.651
    4    HA   MET   1           HA       MET   1 -13.615  -0.336   3.813
    5   1HB   MET   1           HB2      MET   1 -12.702   0.931   1.218
    6   2HB   MET   1           HB1      MET   1 -12.854  -0.789   1.561
    7   1HG   MET   1           HG2      MET   1 -14.971  -0.708   0.865
    8   2HG   MET   1           HG1      MET   1 -15.340   0.323   2.221
    9   1HE   MET   1           HE1      MET   1 -17.149   0.153  -0.060
   10   2HE   MET   1           HE3      MET   1 -16.964   1.259  -1.422
   11   3HE   MET   1           HE2      MET   1 -15.940  -0.173  -1.302
   12    H    THR   2           HN       THR   2 -11.767  -1.149   4.590
   13    HA   THR   2           HA       THR   2  -9.310   0.561   4.444
   14    HB   THR   2           HB       THR   2  -9.778  -1.409   6.686
   15    HG1  THR   2           HG1      THR   2 -11.606   0.014   6.392
   16   1HG2  THR   2          HG22      THR   2  -7.622   0.102   6.196
   17   2HG2  THR   2          HG21      THR   2  -8.631   1.363   6.898
   18   3HG2  THR   2          HG23      THR   2  -8.231  -0.070   7.838
   19    OH   TYR   3           OH       TYR   3 -11.269   0.592  -1.085
   20    H    TYR   3           HN       TYR   3  -7.761  -0.327   3.244
   21    HA   TYR   3           HA       TYR   3  -7.804  -3.278   2.818
   22   1HB   TYR   3           HB2      TYR   3  -5.996  -1.360   1.366
   23   2HB   TYR   3           HB1      TYR   3  -6.611  -2.916   0.823
   24    HD1  TYR   3           HD1      TYR   3  -7.527   0.614   1.460
   25    HD2  TYR   3           HD2      TYR   3  -8.803  -3.096  -0.182
   26    HE1  TYR   3           HE1      TYR   3  -9.429   1.738   0.400
   27    HE2  TYR   3           HE2      TYR   3 -10.709  -1.973  -1.235
   28    HH   TYR   3           HH       TYR   3 -12.059   0.082  -0.893
   29    H    LYS   4           HN       LYS   4  -5.408  -4.118   2.439
   30    HA   LYS   4           HA       LYS   4  -3.754  -3.177   4.755
   31   1HB   LYS   4           HB2      LYS   4  -4.938  -5.370   5.128
   32   2HB   LYS   4           HB1      LYS   4  -4.034  -6.027   3.784
   33   1HG   LYS   4           HG2      LYS   4  -2.032  -6.048   4.941
   34   2HG   LYS   4           HG1      LYS   4  -2.461  -4.661   5.932
   35   1HD   LYS   4           HD2      LYS   4  -4.045  -6.040   7.215
   36   2HD   LYS   4           HD1      LYS   4  -3.680  -7.428   6.196
   37   1HE   LYS   4           HE2      LYS   4  -1.606  -5.946   7.841
   38   2HE   LYS   4           HE1      LYS   4  -2.414  -7.413   8.375
   39   1HZ   LYS   4           HZ3      LYS   4  -1.018  -7.327   5.783
   40   2HZ   LYS   4           HZ2      LYS   4  -0.159  -7.609   7.222
   41   3HZ   LYS   4           HZ1      LYS   4  -1.397  -8.672   6.750
   42    H    LEU   5           HN       LEU   5  -1.936  -2.299   3.976
   43    HA   LEU   5           HA       LEU   5  -0.934  -3.049   1.333
   44   1HB   LEU   5           HB2      LEU   5  -0.793  -0.718   1.921
   45   2HB   LEU   5           HB1      LEU   5  -0.008  -1.080   3.448
   46    HG   LEU   5           HG       LEU   5   1.995  -1.948   2.119
   47   1HD1  LEU   5          HD13      LEU   5   0.461  -0.689  -0.178
   48   2HD1  LEU   5          HD12      LEU   5   2.125  -1.250  -0.258
   49   3HD1  LEU   5          HD11      LEU   5   0.823  -2.403  -0.014
   50   1HD2  LEU   5          HD21      LEU   5   1.757   0.402   3.055
   51   2HD2  LEU   5          HD23      LEU   5   2.872   0.238   1.703
   52   3HD2  LEU   5          HD22      LEU   5   1.265   0.901   1.442
   53    H    ILE   6           HN       ILE   6   1.107  -3.925   0.905
   54    HA   ILE   6           HA       ILE   6   2.496  -5.238   3.155
   55    HB   ILE   6           HB       ILE   6   1.843  -6.386   0.442
   56   1HG1  ILE   6          HG12      ILE   6   1.350  -7.640   3.138
   57   2HG1  ILE   6          HG11      ILE   6   0.234  -6.432   2.518
   58   1HG2  ILE   6          HG21      ILE   6   4.016  -6.979   2.370
   59   2HG2  ILE   6          HG23      ILE   6   3.118  -8.384   1.812
   60   3HG2  ILE   6          HG22      ILE   6   3.918  -7.335   0.650
   61   1HD1  ILE   6           HD3      ILE   6   1.071  -8.767   0.797
   62   2HD1  ILE   6           HD2      ILE   6  -0.240  -8.931   1.959
   63   3HD1  ILE   6           HD1      ILE   6  -0.358  -7.756   0.657
   64    H    LEU   7           HN       LEU   7   4.266  -3.990   3.316
   65    HA   LEU   7           HA       LEU   7   5.539  -2.823   0.968
   66   1HB   LEU   7           HB2      LEU   7   6.153  -2.831   3.909
   67   2HB   LEU   7           HB1      LEU   7   7.279  -2.144   2.742
   68    HG   LEU   7           HG       LEU   7   4.421  -1.341   2.476
   69   1HD1  LEU   7          HD11      LEU   7   6.241  -0.421   4.725
   70   2HD1  LEU   7          HD13      LEU   7   4.788   0.441   4.228
   71   3HD1  LEU   7          HD12      LEU   7   4.663  -1.185   4.889
   72   1HD2  LEU   7          HD23      LEU   7   6.445  -0.579   1.069
   73   2HD2  LEU   7          HD22      LEU   7   5.396   0.690   1.695
   74   3HD2  LEU   7          HD21      LEU   7   6.932   0.347   2.486
   75    H    ASN   8           HN       ASN   8   6.767  -3.992  -0.357
   76    HA   ASN   8           HA       ASN   8   8.420  -6.186   0.814
   77   1HB   ASN   8           HB2      ASN   8   6.905  -5.846  -1.651
   78   2HB   ASN   8           HB1      ASN   8   8.552  -6.349  -1.974
   79   1HD2  ASN   8          HD22      ASN   8   6.005  -9.101  -0.884
   80   2HD2  ASN   8          HD21      ASN   8   5.637  -7.645  -1.664
   81    H    GLY   9           HN       GLY   9   9.249  -3.538   1.207
   82   1HA   GLY   9           HA2      GLY   9  10.985  -2.434  -0.709
   83   2HA   GLY   9           HA1      GLY   9  11.224  -2.269   1.022
   84    H    LYS  10           HN       LYS  10  13.042  -2.818  -1.350
   85    HA   LYS  10           HA       LYS  10  14.092  -5.469  -1.120
   86   1HB   LYS  10           HB2      LYS  10  16.230  -4.287  -2.024
   87   2HB   LYS  10           HB1      LYS  10  14.792  -4.306  -3.038
   88   1HG   LYS  10           HG2      LYS  10  14.311  -2.056  -2.629
   89   2HG   LYS  10           HG1      LYS  10  15.174  -2.045  -1.095
   90   1HD   LYS  10           HD2      LYS  10  17.323  -2.184  -2.268
   91   2HD   LYS  10           HD1      LYS  10  16.496  -2.300  -3.817
   92   1HE   LYS  10           HE2      LYS  10  15.540  -0.005  -2.318
   93   2HE   LYS  10           HE1      LYS  10  17.287   0.063  -2.503
   94   1HZ   LYS  10           HZ2      LYS  10  15.403  -0.415  -4.739
   95   2HZ   LYS  10           HZ1      LYS  10  16.041   1.107  -4.338
   96   3HZ   LYS  10           HZ3      LYS  10  17.075  -0.140  -4.849
   97    H    THR  11           HN       THR  11  14.386  -2.657   0.828
   98    HA   THR  11           HA       THR  11  16.277  -4.111   2.611
   99    HB   THR  11           HB       THR  11  17.055  -1.581   3.077
  100    HG1  THR  11           HG1      THR  11  15.358  -1.471   1.065
  101   1HG2  THR  11          HG22      THR  11  17.858  -3.464   0.861
  102   2HG2  THR  11          HG21      THR  11  18.595  -1.867   0.952
  103   3HG2  THR  11          HG23      THR  11  18.782  -3.000   2.287
  104    H    LEU  12           HN       LEU  12  13.265  -2.879   2.269
  105    HA   LEU  12           HA       LEU  12  12.966  -2.632   5.208
  106   1HB   LEU  12           HB2      LEU  12  13.435  -0.326   4.228
  107   2HB   LEU  12           HB1      LEU  12  11.883  -0.461   3.409
  108    HG   LEU  12           HG       LEU  12  11.062  -1.130   5.869
  109   1HD1  LEU  12          HD13      LEU  12  13.356  -0.990   6.823
  110   2HD1  LEU  12          HD12      LEU  12  13.443   0.700   6.340
  111   3HD1  LEU  12          HD11      LEU  12  12.280   0.191   7.561
  112   1HD2  LEU  12          HD22      LEU  12  11.499   1.548   4.576
  113   2HD2  LEU  12          HD21      LEU  12   9.988   0.698   4.884
  114   3HD2  LEU  12          HD23      LEU  12  10.840   1.487   6.207
  115    H    LYS  13           HN       LYS  13  11.612  -4.368   5.326
  116    HA   LYS  13           HA       LYS  13   9.222  -4.411   3.557
  117   1HB   LYS  13           HB2      LYS  13  10.264  -6.503   5.478
  118   2HB   LYS  13           HB1      LYS  13   8.908  -6.710   4.378
  119   1HG   LYS  13           HG2      LYS  13  10.294  -7.160   2.650
  120   2HG   LYS  13           HG1      LYS  13  11.232  -5.703   2.957
  121   1HD   LYS  13           HD2      LYS  13  12.490  -6.873   4.728
  122   2HD   LYS  13           HD1      LYS  13  11.538  -8.327   4.456
  123   1HE   LYS  13           HE2      LYS  13  12.931  -8.934   2.790
  124   2HE   LYS  13           HE1      LYS  13  12.551  -7.450   1.926
  125   1HZ   LYS  13           HZ2      LYS  13  14.287  -6.838   4.036
  126   2HZ   LYS  13           HZ1      LYS  13  14.938  -8.150   3.176
  127   3HZ   LYS  13           HZ3      LYS  13  14.564  -6.705   2.366
  128    H    GLY  14           HN       GLY  14   7.109  -4.568   4.432
  129   1HA   GLY  14           HA2      GLY  14   6.571  -4.530   7.257
  130   2HA   GLY  14           HA1      GLY  14   6.533  -2.889   6.622
  131    H    GLU  15           HN       GLU  15   4.254  -3.049   7.347
  132    HA   GLU  15           HA       GLU  15   2.484  -3.440   5.137
  133   1HB   GLU  15           HB2      GLU  15   1.142  -5.322   6.320
  134   2HB   GLU  15           HB1      GLU  15   2.588  -5.779   5.428
  135   1HG   GLU  15           HG2      GLU  15   3.771  -6.281   7.336
  136   2HG   GLU  15           HG1      GLU  15   2.987  -5.014   8.278
  137    H    THR  16           HN       THR  16   0.721  -2.192   5.500
  138    HA   THR  16           HA       THR  16  -0.250  -1.797   8.264
  139    HB   THR  16           HB       THR  16   1.524  -0.028   7.932
  140    HG1  THR  16           HG1      THR  16  -1.155   0.219   8.449
  141   1HG2  THR  16          HG22      THR  16   0.456   0.184   5.366
  142   2HG2  THR  16          HG21      THR  16  -0.270   1.549   6.207
  143   3HG2  THR  16          HG23      THR  16   1.482   1.394   6.127
  144    H    THR  17           HN       THR  17  -2.342  -0.820   8.356
  145    HA   THR  17           HA       THR  17  -3.833  -1.092   5.784
  146    HB   THR  17           HB       THR  17  -5.733  -1.761   7.054
  147    HG1  THR  17           HG1      THR  17  -4.400  -0.816   9.367
  148   1HG2  THR  17          HG21      THR  17  -3.810  -3.406   7.378
  149   2HG2  THR  17          HG23      THR  17  -3.424  -2.553   8.868
  150   3HG2  THR  17          HG22      THR  17  -4.967  -3.386   8.704
  151    H    THR  18           HN       THR  18  -5.075   0.545   5.007
  152    HA   THR  18           HA       THR  18  -5.164   3.080   6.608
  153    HB   THR  18           HB       THR  18  -3.497   2.997   4.560
  154    HG1  THR  18           HG1      THR  18  -5.332   5.067   4.339
  155   1HG2  THR  18          HG21      THR  18  -5.574   2.163   3.092
  156   2HG2  THR  18          HG23      THR  18  -5.974   3.877   3.094
  157   3HG2  THR  18          HG22      THR  18  -4.437   3.331   2.429
  158    H    GLU  19           HN       GLU  19  -7.025   4.317   6.401
  159    HA   GLU  19           HA       GLU  19  -9.347   2.860   5.245
  160   1HB   GLU  19           HB2      GLU  19  -9.174   3.839   7.682
  161   2HB   GLU  19           HB1      GLU  19  -9.602   5.351   6.891
  162   1HG   GLU  19           HG2      GLU  19 -11.563   4.148   5.834
  163   2HG   GLU  19           HG1      GLU  19 -11.179   2.756   6.844
  164    H    ALA  20           HN       ALA  20 -10.027   3.451   3.293
  165    HA   ALA  20           HA       ALA  20  -9.862   6.339   2.529
  166   1HB   ALA  20           HB1      ALA  20  -8.421   4.175   1.354
  167   2HB   ALA  20           HB3      ALA  20  -9.629   4.710   0.190
  168   3HB   ALA  20           HB2      ALA  20  -8.460   5.859   0.836
  169    H    VAL  21           HN       VAL  21 -11.247   6.670   0.447
  170    HA   VAL  21           HA       VAL  21 -13.889   5.466   1.045
  171    HB   VAL  21           HB       VAL  21 -13.821   7.896   0.881
  172   1HG1  VAL  21          HG12      VAL  21 -11.837   8.049  -0.596
  173   2HG1  VAL  21          HG11      VAL  21 -12.788   7.412  -1.933
  174   3HG1  VAL  21          HG13      VAL  21 -13.181   8.983  -1.244
  175   1HG2  VAL  21          HG21      VAL  21 -15.762   6.498  -0.102
  176   2HG2  VAL  21          HG23      VAL  21 -15.652   8.179  -0.614
  177   3HG2  VAL  21          HG22      VAL  21 -15.086   6.896  -1.678
  178    H    ASP  22           HN       ASP  22 -11.339   5.172  -1.198
  179    HA   ASP  22           HA       ASP  22 -12.803   3.117  -2.662
  180   1HB   ASP  22           HB2      ASP  22 -12.699   4.166  -4.866
  181   2HB   ASP  22           HB1      ASP  22 -13.613   5.197  -3.768
  182    H    ALA  23           HN       ALA  23 -11.335   2.582  -4.756
  183    HA   ALA  23           HA       ALA  23  -8.789   1.754  -3.631
  184   1HB   ALA  23           HB1      ALA  23 -10.159   1.429  -6.279
  185   2HB   ALA  23           HB3      ALA  23  -8.448   1.042  -6.139
  186   3HB   ALA  23           HB2      ALA  23  -9.626   0.193  -5.145
  187    H    ALA  24           HN       ALA  24  -9.837   4.268  -5.851
  188    HA   ALA  24           HA       ALA  24  -7.311   4.995  -6.918
  189   1HB   ALA  24           HB1      ALA  24  -9.717   5.880  -7.459
  190   2HB   ALA  24           HB3      ALA  24  -9.356   7.081  -6.223
  191   3HB   ALA  24           HB2      ALA  24  -8.340   6.960  -7.656
  192    H    THR  25           HN       THR  25  -9.012   6.559  -4.206
  193    HA   THR  25           HA       THR  25  -6.749   8.096  -3.387
  194    HB   THR  25           HB       THR  25  -8.798   8.876  -2.475
  195    HG1  THR  25           HG1      THR  25  -8.441   8.473  -0.231
  196   1HG2  THR  25          HG23      THR  25  -9.351   5.989  -2.239
  197   2HG2  THR  25          HG22      THR  25  -9.812   6.896  -0.805
  198   3HG2  THR  25          HG21      THR  25 -10.489   7.322  -2.374
  199    H    ALA  26           HN       ALA  26  -7.566   4.769  -2.917
  200    HA   ALA  26           HA       ALA  26  -5.917   4.349  -0.572
  201   1HB   ALA  26           HB3      ALA  26  -7.713   2.765  -1.359
  202   2HB   ALA  26           HB2      ALA  26  -6.655   2.315  -2.692
  203   3HB   ALA  26           HB1      ALA  26  -6.169   1.983  -1.033
  204    H    GLU  27           HN       GLU  27  -5.394   4.139  -4.056
  205    HA   GLU  27           HA       GLU  27  -2.733   3.098  -3.970
  206   1HB   GLU  27           HB2      GLU  27  -4.164   4.839  -5.991
  207   2HB   GLU  27           HB1      GLU  27  -2.558   4.179  -6.256
  208   1HG   GLU  27           HG2      GLU  27  -3.510   1.883  -5.836
  209   2HG   GLU  27           HG1      GLU  27  -5.110   2.615  -5.797
  210    H    LYS  28           HN       LYS  28  -4.069   6.301  -3.654
  211    HA   LYS  28           HA       LYS  28  -1.457   7.632  -3.777
  212   1HB   LYS  28           HB2      LYS  28  -3.790   8.555  -4.475
  213   2HB   LYS  28           HB1      LYS  28  -3.997   8.880  -2.759
  214   1HG   LYS  28           HG2      LYS  28  -1.868  10.175  -2.775
  215   2HG   LYS  28           HG1      LYS  28  -1.734   9.896  -4.507
  216   1HD   LYS  28           HD2      LYS  28  -2.945  11.809  -4.736
  217   2HD   LYS  28           HD1      LYS  28  -4.327  10.836  -4.245
  218   1HE   LYS  28           HE2      LYS  28  -4.256  12.767  -2.793
  219   2HE   LYS  28           HE1      LYS  28  -3.745  11.377  -1.842
  220   1HZ   LYS  28           HZ2      LYS  28  -1.909  13.295  -3.166
  221   2HZ   LYS  28           HZ1      LYS  28  -2.319  13.315  -1.519
  222   3HZ   LYS  28           HZ3      LYS  28  -1.461  11.999  -2.164
  223    H    VAL  29           HN       VAL  29  -3.925   7.086  -1.284
  224    HA   VAL  29           HA       VAL  29  -2.639   8.297   0.891
  225    HB   VAL  29           HB       VAL  29  -4.436   5.878   0.738
  226   1HG1  VAL  29          HG12      VAL  29  -3.016   7.115   3.079
  227   2HG1  VAL  29          HG11      VAL  29  -4.652   6.505   3.305
  228   3HG1  VAL  29          HG13      VAL  29  -3.375   5.419   2.768
  229   1HG2  VAL  29          HG21      VAL  29  -5.086   8.412   0.299
  230   2HG2  VAL  29          HG23      VAL  29  -6.146   7.380   1.254
  231   3HG2  VAL  29          HG22      VAL  29  -5.054   8.504   2.057
  232    H    PHE  30           HN       PHE  30  -2.425   4.875  -0.075
  233    HA   PHE  30           HA       PHE  30  -0.432   4.201   1.862
  234   1HB   PHE  30           HB2      PHE  30  -1.392   2.962  -0.696
  235   2HB   PHE  30           HB1      PHE  30   0.072   2.339   0.050
  236    HD1  PHE  30           HD1      PHE  30  -0.221   2.107   2.787
  237    HD2  PHE  30           HD2      PHE  30  -3.352   1.838  -0.095
  238    HE1  PHE  30           HE1      PHE  30  -1.599   0.851   4.387
  239    HE2  PHE  30           HE2      PHE  30  -4.701   0.562   1.506
  240    HZ   PHE  30           HZ       PHE  30  -3.823   0.048   3.737
  241    H    LYS  31           HN       LYS  31  -0.187   5.278  -1.501
  242    HA   LYS  31           HA       LYS  31   2.636   5.019  -1.762
  243   1HB   LYS  31           HB2      LYS  31   1.105   5.493  -3.657
  244   2HB   LYS  31           HB1      LYS  31   0.839   7.112  -3.017
  245   1HG   LYS  31           HG2      LYS  31   3.212   7.646  -3.266
  246   2HG   LYS  31           HG1      LYS  31   3.560   5.998  -3.775
  247   1HD   LYS  31           HD2      LYS  31   1.877   6.394  -5.678
  248   2HD   LYS  31           HD1      LYS  31   1.955   8.098  -5.249
  249   1HE   LYS  31           HE2      LYS  31   4.574   7.668  -5.371
  250   2HE   LYS  31           HE1      LYS  31   4.086   6.335  -6.409
  251   1HZ   LYS  31           HZ3      LYS  31   2.730   8.775  -7.033
  252   2HZ   LYS  31           HZ2      LYS  31   4.416   8.915  -7.177
  253   3HZ   LYS  31           HZ1      LYS  31   3.587   7.717  -8.050
  254    H    GLN  32           HN       GLN  32   0.641   7.600  -0.442
  255    HA   GLN  32           HA       GLN  32   2.729   9.511  -0.059
  256   1HB   GLN  32           HB2      GLN  32   0.178   9.837   0.164
  257   2HB   GLN  32           HB1      GLN  32   0.356   9.178   1.785
  258   1HG   GLN  32           HG2      GLN  32   1.975  11.541   0.772
  259   2HG   GLN  32           HG1      GLN  32   0.465  11.713   1.659
  260   1HE2  GLN  32          HE22      GLN  32   3.509  11.657   3.968
  261   2HE2  GLN  32          HE21      GLN  32   3.233  12.489   2.515
  262    OH   TYR  33           OH       TYR  33   4.906   3.002   8.301
  263    H    TYR  33           HN       TYR  33   1.694   6.714   1.740
  264    HA   TYR  33           HA       TYR  33   3.247   7.313   4.119
  265   1HB   TYR  33           HB2      TYR  33   1.294   5.822   4.224
  266   2HB   TYR  33           HB1      TYR  33   2.090   4.695   3.130
  267    HD1  TYR  33           HD1      TYR  33   4.230   3.578   3.864
  268    HD2  TYR  33           HD2      TYR  33   1.843   5.843   6.557
  269    HE1  TYR  33           HE1      TYR  33   5.378   2.534   5.757
  270    HE2  TYR  33           HE2      TYR  33   2.989   4.794   8.454
  271    HH   TYR  33           HH       TYR  33   5.770   3.412   8.389
  272    H    ALA  34           HN       ALA  34   3.617   4.807   1.624
  273    HA   ALA  34           HA       ALA  34   6.137   3.842   2.304
  274   1HB   ALA  34           HB2      ALA  34   4.458   3.780  -0.006
  275   2HB   ALA  34           HB1      ALA  34   6.105   4.112  -0.536
  276   3HB   ALA  34           HB3      ALA  34   5.761   2.674   0.421
  277    H    ASN  35           HN       ASN  35   5.333   6.966   1.146
  278    HA   ASN  35           HA       ASN  35   7.938   7.644   0.065
  279   1HB   ASN  35           HB2      ASN  35   5.881   8.873  -0.559
  280   2HB   ASN  35           HB1      ASN  35   5.743   9.461   1.095
  281   1HD2  ASN  35          HD22      ASN  35   8.688  11.577   0.775
  282   2HD2  ASN  35          HD21      ASN  35   7.963  10.521   1.890
  283    H    ASP  36           HN       ASP  36   6.305   8.304   3.147
  284    HA   ASP  36           HA       ASP  36   8.407   9.783   4.357
  285   1HB   ASP  36           HB2      ASP  36   6.043   8.267   5.311
  286   2HB   ASP  36           HB1      ASP  36   7.312   8.547   6.500
  287    H    ASN  37           HN       ASN  37   8.350   6.567   3.387
  288    HA   ASN  37           HA       ASN  37  10.477   5.797   5.344
  289   1HB   ASN  37           HB2      ASN  37   8.858   4.018   3.505
  290   2HB   ASN  37           HB1      ASN  37   9.971   3.485   4.762
  291   1HD2  ASN  37          HD22      ASN  37   6.425   5.220   5.941
  292   2HD2  ASN  37          HD21      ASN  37   7.134   5.703   4.477
  293    H    GLY  38           HN       GLY  38   9.641   5.352   1.923
  294   1HA   GLY  38           HA2      GLY  38  11.411   6.217   0.298
  295   2HA   GLY  38           HA1      GLY  38  12.571   5.349   1.295
  296    H    VAL  39           HN       VAL  39   9.365   4.484   0.027
  297    HA   VAL  39           HA       VAL  39  10.635   2.183  -1.405
  298    HB   VAL  39           HB       VAL  39   8.079   2.115   0.224
  299   1HG1  VAL  39          HG11      VAL  39   9.202   0.390  -1.887
  300   2HG1  VAL  39          HG13      VAL  39   8.793  -0.477  -0.412
  301   3HG1  VAL  39          HG12      VAL  39   7.561   0.457  -1.254
  302   1HG2  VAL  39          HG21      VAL  39  10.309   2.098   1.468
  303   2HG2  VAL  39          HG23      VAL  39   9.293   0.686   1.735
  304   3HG2  VAL  39          HG22      VAL  39  10.666   0.587   0.637
  305    H    ASP  40           HN       ASP  40  10.416   2.925  -3.463
  306    HA   ASP  40           HA       ASP  40   7.627   3.326  -4.428
  307   1HB   ASP  40           HB2      ASP  40   9.948   5.217  -4.764
  308   2HB   ASP  40           HB1      ASP  40   8.625   5.189  -5.926
  309    H    GLY  41           HN       GLY  41   7.236   2.147  -6.184
  310   1HA   GLY  41           HA2      GLY  41   9.043   1.825  -8.378
  311   2HA   GLY  41           HA1      GLY  41   9.132   0.395  -7.351
  312    H    GLU  42           HN       GLU  42   7.630  -1.143  -7.623
  313    HA   GLU  42           HA       GLU  42   5.435  -0.602  -9.551
  314   1HB   GLU  42           HB2      GLU  42   6.359  -3.222  -8.364
  315   2HB   GLU  42           HB1      GLU  42   5.234  -3.029  -9.699
  316   1HG   GLU  42           HG2      GLU  42   8.099  -2.022  -9.735
  317   2HG   GLU  42           HG1      GLU  42   7.579  -3.546 -10.451
  318    CH2  TRP  43           CH2      TRP  43   2.055   2.438  -2.325
  319    H    TRP  43           HN       TRP  43   3.271  -1.034  -9.046
  320    HA   TRP  43           HA       TRP  43   2.683  -1.450  -6.137
  321   1HB   TRP  43           HB2      TRP  43   1.656   0.619  -8.047
  322   2HB   TRP  43           HB1      TRP  43   0.679   0.125  -6.675
  323    HD1  TRP  43           HD1      TRP  43   4.258   1.373  -7.435
  324    HE1  TRP  43           HE1      TRP  43   4.987   2.721  -5.408
  325    HE3  TRP  43           HE3      TRP  43   0.315   0.574  -4.508
  326    HZ2  TRP  43           HZ2      TRP  43   3.961   3.322  -2.691
  327    HZ3  TRP  43           HZ3      TRP  43   0.168   1.449  -2.231
  328    HH2  TRP  43           HH2      TRP  43   1.989   2.818  -1.317
  329    H    THR  44           HN       THR  44   1.158  -2.910  -5.676
  330    HA   THR  44           HA       THR  44  -0.503  -3.959  -7.947
  331    HB   THR  44           HB       THR  44  -0.348  -6.206  -6.642
  332    HG1  THR  44           HG1      THR  44   1.851  -5.917  -5.476
  333   1HG2  THR  44          HG22      THR  44   1.441  -5.069  -8.537
  334   2HG2  THR  44          HG21      THR  44   2.457  -5.716  -7.255
  335   3HG2  THR  44          HG23      THR  44   1.326  -6.770  -8.098
  336    OH   TYR  45           OH       TYR  45  -8.884  -1.434  -3.008
  337    H    TYR  45           HN       TYR  45  -2.474  -5.078  -7.232
  338    HA   TYR  45           HA       TYR  45  -3.583  -4.066  -4.650
  339   1HB   TYR  45           HB2      TYR  45  -4.160  -2.632  -6.740
  340   2HB   TYR  45           HB1      TYR  45  -5.177  -3.991  -7.220
  341    HD1  TYR  45           HD1      TYR  45  -6.609  -4.867  -4.845
  342    HD2  TYR  45           HD2      TYR  45  -5.429  -0.916  -5.866
  343    HE1  TYR  45           HE1      TYR  45  -8.341  -3.972  -3.377
  344    HE2  TYR  45           HE2      TYR  45  -7.200  -0.022  -4.442
  345    HH   TYR  45           HH       TYR  45  -8.668  -0.521  -2.807
  346    H    ASP  46           HN       ASP  46  -4.515  -5.699  -3.571
  347    HA   ASP  46           HA       ASP  46  -5.226  -8.178  -5.077
  348   1HB   ASP  46           HB2      ASP  46  -3.597  -8.167  -3.062
  349   2HB   ASP  46           HB1      ASP  46  -5.042  -7.950  -2.083
  350    H    ASP  47           HN       ASP  47  -7.201  -6.922  -5.754
  351    HA   ASP  47           HA       ASP  47  -9.204  -6.170  -3.846
  352   1HB   ASP  47           HB2      ASP  47  -9.173  -5.423  -6.226
  353   2HB   ASP  47           HB1      ASP  47  -9.613  -7.059  -6.713
  354    H    ALA  48           HN       ALA  48  -7.956  -9.119  -4.251
  355    HA   ALA  48           HA       ALA  48 -10.482 -10.640  -4.177
  356   1HB   ALA  48           HB1      ALA  48  -8.372 -11.417  -5.384
  357   2HB   ALA  48           HB3      ALA  48  -7.689 -11.723  -3.790
  358   3HB   ALA  48           HB2      ALA  48  -9.124 -12.598  -4.316
  359    H    THR  49           HN       THR  49  -8.404  -9.108  -1.985
  360    HA   THR  49           HA       THR  49  -9.873 -10.304   0.273
  361    HB   THR  49           HB       THR  49  -7.531 -10.720   1.427
  362    HG1  THR  49           HG1      THR  49  -6.734  -9.682  -0.692
  363   1HG2  THR  49          HG23      THR  49  -9.186 -12.528   0.538
  364   2HG2  THR  49          HG22      THR  49  -8.182 -12.543  -0.908
  365   3HG2  THR  49          HG21      THR  49  -7.490 -12.990   0.648
  366    H    LYS  50           HN       LYS  50  -9.147  -7.630  -1.119
  367    HA   LYS  50           HA       LYS  50  -8.749  -5.418  -0.433
  368   1HB   LYS  50           HB2      LYS  50  -9.611  -6.515   2.255
  369   2HB   LYS  50           HB1      LYS  50  -9.633  -4.825   1.763
  370   1HG   LYS  50           HG2      LYS  50 -11.180  -5.503  -0.134
  371   2HG   LYS  50           HG1      LYS  50 -11.286  -7.093   0.612
  372   1HD   LYS  50           HD2      LYS  50 -13.089  -6.091   1.658
  373   2HD   LYS  50           HD1      LYS  50 -11.824  -5.610   2.783
  374   1HE   LYS  50           HE2      LYS  50 -11.530  -3.527   1.288
  375   2HE   LYS  50           HE1      LYS  50 -13.071  -3.974   0.566
  376   1HZ   LYS  50           HZ3      LYS  50 -13.705  -4.121   3.126
  377   2HZ   LYS  50           HZ2      LYS  50 -12.493  -2.933   3.217
  378   3HZ   LYS  50           HZ1      LYS  50 -13.848  -2.691   2.220
  379    H    THR  51           HN       THR  51  -6.446  -6.494  -0.740
  380    HA   THR  51           HA       THR  51  -4.853  -5.625   1.633
  381    HB   THR  51           HB       THR  51  -4.522  -8.283   0.150
  382    HG1  THR  51           HG1      THR  51  -4.834  -7.780   2.899
  383   1HG2  THR  51          HG23      THR  51  -2.425  -6.834   1.249
  384   2HG2  THR  51          HG22      THR  51  -3.000  -7.756   2.628
  385   3HG2  THR  51          HG21      THR  51  -2.483  -8.586   1.168
  386    H    PHE  52           HN       PHE  52  -3.647  -3.958   0.825
  387    HA   PHE  52           HA       PHE  52  -2.994  -3.802  -2.016
  388   1HB   PHE  52           HB2      PHE  52  -2.954  -2.031   0.269
  389   2HB   PHE  52           HB1      PHE  52  -1.452  -1.923  -0.640
  390    HD1  PHE  52           HD1      PHE  52  -1.499  -1.309  -3.068
  391    HD2  PHE  52           HD2      PHE  52  -5.022  -1.329  -0.720
  392    HE1  PHE  52           HE1      PHE  52  -2.682  -0.031  -4.807
  393    HE2  PHE  52           HE2      PHE  52  -6.155   0.059  -2.366
  394    HZ   PHE  52           HZ       PHE  52  -4.973   0.756  -4.393
  395    H    THR  53           HN       THR  53  -0.701  -3.492  -2.714
  396    HA   THR  53           HA       THR  53   1.388  -4.524  -0.950
  397    HB   THR  53           HB       THR  53   0.478  -6.160  -3.347
  398    HG1  THR  53           HG1      THR  53  -0.667  -6.338  -1.344
  399   1HG2  THR  53          HG23      THR  53   2.957  -6.168  -1.638
  400   2HG2  THR  53          HG22      THR  53   2.265  -7.716  -2.112
  401   3HG2  THR  53          HG21      THR  53   2.797  -6.576  -3.343
  402    H    VAL  54           HN       VAL  54   3.326  -3.718  -1.533
  403    HA   VAL  54           HA       VAL  54   3.634  -2.673  -4.318
  404    HB   VAL  54           HB       VAL  54   3.028  -0.838  -2.678
  405   1HG1  VAL  54          HG13      VAL  54   4.337  -1.982  -0.811
  406   2HG1  VAL  54          HG12      VAL  54   5.792  -1.339  -1.563
  407   3HG1  VAL  54          HG11      VAL  54   4.557  -0.244  -0.949
  408   1HG2  VAL  54          HG22      VAL  54   5.748  -0.819  -4.014
  409   2HG2  VAL  54          HG21      VAL  54   4.235  -0.202  -4.658
  410   3HG2  VAL  54          HG23      VAL  54   5.013   0.617  -3.314
  411    H    THR  55           HN       THR  55   5.790  -2.673  -5.055
  412    HA   THR  55           HA       THR  55   7.801  -3.976  -3.285
  413    HB   THR  55           HB       THR  55   7.446  -4.872  -6.161
  414    HG1  THR  55           HG1      THR  55   6.237  -6.594  -4.990
  415   1HG2  THR  55          HG22      THR  55   9.250  -5.557  -4.059
  416   2HG2  THR  55          HG21      THR  55   8.087  -6.877  -4.170
  417   3HG2  THR  55          HG23      THR  55   9.028  -6.411  -5.578
  418    H    GLU  56           HN       GLU  56   9.474  -2.588  -3.240
  419    HA   GLU  56           HA       GLU  56   9.919  -0.497  -5.119
  420   1HB   GLU  56           HB2      GLU  56  11.002  -1.205  -2.694
  421   2HB   GLU  56           HB1      GLU  56  12.340  -1.506  -3.794
  422   1HG   GLU  56           HG2      GLU  56  11.951   0.798  -4.767
  423   2HG   GLU  56           HG1      GLU  56  10.784   1.080  -3.479
   
  Start of MODEL          28
 Raw file had 423 H/Q atoms
  Entry Start of MODEL   28
    1   1H    MET   1           HT1      MET   1 -13.467  -1.658   5.613
    2   2H    MET   1           HT3      MET   1 -14.200  -0.220   6.143
    3   3H    MET   1           HT2      MET   1 -15.045  -1.273   5.113
    4    HA   MET   1           HA       MET   1 -13.627  -0.805   3.297
    5   1HB   MET   1           HB2      MET   1 -13.744   1.797   3.305
    6   2HB   MET   1           HB1      MET   1 -15.251   0.889   3.364
    7   1HG   MET   1           HG2      MET   1 -13.795   1.794   5.845
    8   2HG   MET   1           HG1      MET   1 -14.967   2.806   5.043
    9   1HE   MET   1           HE3      MET   1 -17.219   1.783   4.291
   10   2HE   MET   1           HE2      MET   1 -18.307   1.257   5.575
   11   3HE   MET   1           HE1      MET   1 -17.505   2.824   5.685
   12    H    THR   2           HN       THR   2 -11.637  -1.742   4.621
   13    HA   THR   2           HA       THR   2  -9.557   0.375   4.463
   14    HB   THR   2           HB       THR   2  -9.737  -1.533   6.831
   15    HG1  THR   2           HG1      THR   2 -10.126   1.254   6.843
   16   1HG2  THR   2          HG21      THR   2  -7.532  -0.185   5.917
   17   2HG2  THR   2          HG23      THR   2  -8.289   1.062   6.904
   18   3HG2  THR   2          HG22      THR   2  -7.839  -0.478   7.626
   19    OH   TYR   3           OH       TYR   3 -11.616   0.305  -0.909
   20    H    TYR   3           HN       TYR   3  -7.868  -0.332   3.297
   21    HA   TYR   3           HA       TYR   3  -7.658  -3.266   2.789
   22   1HB   TYR   3           HB2      TYR   3  -6.089  -1.166   1.319
   23   2HB   TYR   3           HB1      TYR   3  -6.574  -2.760   0.769
   24    HD1  TYR   3           HD1      TYR   3  -7.949   0.575   1.734
   25    HD2  TYR   3           HD2      TYR   3  -8.621  -3.043  -0.386
   26    HE1  TYR   3           HE1      TYR   3  -9.995   1.520   0.764
   27    HE2  TYR   3           HE2      TYR   3 -10.663  -2.102  -1.358
   28    HH   TYR   3           HH       TYR   3 -11.839  -0.208  -1.688
   29    H    LYS   4           HN       LYS   4  -5.537  -4.249   2.791
   30    HA   LYS   4           HA       LYS   4  -3.791  -3.040   4.892
   31   1HB   LYS   4           HB2      LYS   4  -4.949  -5.453   4.945
   32   2HB   LYS   4           HB1      LYS   4  -3.517  -5.888   4.028
   33   1HG   LYS   4           HG2      LYS   4  -2.312  -4.465   5.969
   34   2HG   LYS   4           HG1      LYS   4  -3.741  -4.962   6.864
   35   1HD   LYS   4           HD2      LYS   4  -1.905  -6.870   5.369
   36   2HD   LYS   4           HD1      LYS   4  -1.840  -6.575   7.100
   37   1HE   LYS   4           HE2      LYS   4  -4.298  -7.589   5.631
   38   2HE   LYS   4           HE1      LYS   4  -3.176  -8.612   6.513
   39   1HZ   LYS   4           HZ2      LYS   4  -4.214  -6.337   7.977
   40   2HZ   LYS   4           HZ1      LYS   4  -5.350  -7.538   7.589
   41   3HZ   LYS   4           HZ3      LYS   4  -3.962  -7.939   8.482
   42    H    LEU   5           HN       LEU   5  -1.959  -2.151   4.169
   43    HA   LEU   5           HA       LEU   5  -0.956  -2.830   1.493
   44   1HB   LEU   5           HB2      LEU   5  -0.877  -0.499   2.056
   45   2HB   LEU   5           HB1      LEU   5  -0.134  -0.816   3.612
   46    HG   LEU   5           HG       LEU   5   1.936  -1.646   2.338
   47   1HD1  LEU   5          HD13      LEU   5   0.439  -0.401   0.012
   48   2HD1  LEU   5          HD12      LEU   5   2.106  -0.950  -0.030
   49   3HD1  LEU   5          HD11      LEU   5   0.806  -2.112   0.178
   50   1HD2  LEU   5          HD21      LEU   5   1.558   0.729   3.255
   51   2HD2  LEU   5          HD23      LEU   5   2.801   0.530   2.027
   52   3HD2  LEU   5          HD22      LEU   5   1.228   1.180   1.590
   53    H    ILE   6           HN       ILE   6   1.181  -3.607   1.114
   54    HA   ILE   6           HA       ILE   6   2.614  -4.769   3.405
   55    HB   ILE   6           HB       ILE   6   2.000  -6.340   0.893
   56   1HG1  ILE   6          HG12      ILE   6   0.724  -6.325   3.643
   57   2HG1  ILE   6          HG11      ILE   6  -0.073  -6.111   2.088
   58   1HG2  ILE   6          HG21      ILE   6   4.134  -6.807   2.277
   59   2HG2  ILE   6          HG23      ILE   6   3.046  -7.345   3.551
   60   3HG2  ILE   6          HG22      ILE   6   3.061  -8.172   1.996
   61   1HD1  ILE   6           HD1      ILE   6   0.785  -8.482   1.523
   62   2HD1  ILE   6           HD3      ILE   6   1.115  -8.641   3.246
   63   3HD1  ILE   6           HD2      ILE   6  -0.530  -8.366   2.687
   64    H    LEU   7           HN       LEU   7   4.427  -3.565   3.255
   65    HA   LEU   7           HA       LEU   7   5.548  -2.810   0.669
   66   1HB   LEU   7           HB2      LEU   7   6.640  -2.491   3.464
   67   2HB   LEU   7           HB1      LEU   7   7.350  -1.777   2.024
   68    HG   LEU   7           HG       LEU   7   4.490  -1.228   2.196
   69   1HD1  LEU   7          HD11      LEU   7   6.290  -0.253   4.442
   70   2HD1  LEU   7          HD13      LEU   7   4.657   0.328   4.128
   71   3HD1  LEU   7          HD12      LEU   7   4.918  -1.342   4.624
   72   1HD2  LEU   7          HD22      LEU   7   6.226  -0.076   0.768
   73   2HD2  LEU   7          HD21      LEU   7   5.264   1.033   1.739
   74   3HD2  LEU   7          HD23      LEU   7   6.901   0.618   2.239
   75    H    ASN   8           HN       ASN   8   6.886  -3.962  -0.526
   76    HA   ASN   8           HA       ASN   8   8.338  -6.234   0.761
   77   1HB   ASN   8           HB2      ASN   8   6.821  -5.947  -1.677
   78   2HB   ASN   8           HB1      ASN   8   8.457  -6.436  -2.067
   79   1HD2  ASN   8          HD22      ASN   8   6.006  -9.223  -0.898
   80   2HD2  ASN   8          HD21      ASN   8   5.606  -7.789  -1.701
   81    H    GLY   9           HN       GLY   9   9.338  -3.620   1.035
   82   1HA   GLY   9           HA2      GLY   9  11.153  -2.683  -0.861
   83   2HA   GLY   9           HA1      GLY   9  11.439  -2.562   0.866
   84    H    LYS  10           HN       LYS  10  13.164  -3.226  -1.546
   85    HA   LYS  10           HA       LYS  10  13.996  -5.929  -1.479
   86   1HB   LYS  10           HB2      LYS  10  15.024  -3.418  -2.501
   87   2HB   LYS  10           HB1      LYS  10  16.334  -4.372  -1.823
   88   1HG   LYS  10           HG2      LYS  10  16.145  -5.030  -4.126
   89   2HG   LYS  10           HG1      LYS  10  15.450  -6.348  -3.194
   90   1HD   LYS  10           HD2      LYS  10  13.176  -5.373  -3.577
   91   2HD   LYS  10           HD1      LYS  10  13.908  -4.109  -4.557
   92   1HE   LYS  10           HE2      LYS  10  14.686  -5.708  -6.183
   93   2HE   LYS  10           HE1      LYS  10  14.269  -7.061  -5.139
   94   1HZ   LYS  10           HZ3      LYS  10  12.065  -5.304  -5.702
   95   2HZ   LYS  10           HZ2      LYS  10  12.702  -6.059  -7.082
   96   3HZ   LYS  10           HZ1      LYS  10  12.154  -6.998  -5.777
   97    H    THR  11           HN       THR  11  14.585  -3.301   0.702
   98    HA   THR  11           HA       THR  11  15.957  -5.188   2.537
   99    HB   THR  11           HB       THR  11  17.344  -2.957   3.105
  100    HG1  THR  11           HG1      THR  11  15.885  -2.399   0.986
  101   1HG2  THR  11          HG23      THR  11  17.915  -4.613   0.621
  102   2HG2  THR  11          HG22      THR  11  19.097  -3.690   1.542
  103   3HG2  THR  11          HG21      THR  11  18.348  -5.117   2.252
  104    H    LEU  12           HN       LEU  12  13.350  -3.349   2.072
  105    HA   LEU  12           HA       LEU  12  13.076  -2.823   4.992
  106   1HB   LEU  12           HB2      LEU  12  13.805  -0.687   4.050
  107   2HB   LEU  12           HB1      LEU  12  12.551  -0.772   2.821
  108    HG   LEU  12           HG       LEU  12  10.801  -0.628   4.547
  109   1HD1  LEU  12          HD13      LEU  12  13.182  -0.916   6.363
  110   2HD1  LEU  12          HD12      LEU  12  11.775  -0.019   6.928
  111   3HD1  LEU  12          HD11      LEU  12  11.613  -1.709   6.461
  112   1HD2  LEU  12          HD22      LEU  12  11.809   1.474   3.670
  113   2HD2  LEU  12          HD21      LEU  12  11.254   1.654   5.330
  114   3HD2  LEU  12          HD23      LEU  12  12.970   1.449   4.993
  115    H    LYS  13           HN       LYS  13  11.568  -4.473   5.172
  116    HA   LYS  13           HA       LYS  13   9.149  -4.331   3.457
  117   1HB   LYS  13           HB2      LYS  13   9.923  -6.372   5.554
  118   2HB   LYS  13           HB1      LYS  13   8.567  -6.499   4.444
  119   1HG   LYS  13           HG2      LYS  13  10.107  -6.485   2.528
  120   2HG   LYS  13           HG1      LYS  13  11.479  -6.279   3.609
  121   1HD   LYS  13           HD2      LYS  13   9.639  -8.577   4.133
  122   2HD   LYS  13           HD1      LYS  13  10.726  -8.703   2.754
  123   1HE   LYS  13           HE2      LYS  13  12.657  -8.253   4.197
  124   2HE   LYS  13           HE1      LYS  13  11.597  -8.013   5.580
  125   1HZ   LYS  13           HZ3      LYS  13  11.015 -10.491   4.399
  126   2HZ   LYS  13           HZ2      LYS  13  12.691 -10.393   4.658
  127   3HZ   LYS  13           HZ1      LYS  13  11.617 -10.170   5.954
  128    H    GLY  14           HN       GLY  14   7.041  -4.226   4.386
  129   1HA   GLY  14           HA2      GLY  14   6.742  -3.654   7.238
  130   2HA   GLY  14           HA1      GLY  14   6.523  -2.239   6.214
  131    H    GLU  15           HN       GLU  15   4.338  -2.464   7.331
  132    HA   GLU  15           HA       GLU  15   2.414  -3.379   5.423
  133   1HB   GLU  15           HB2      GLU  15   2.603  -5.606   5.984
  134   2HB   GLU  15           HB1      GLU  15   3.197  -5.258   7.601
  135   1HG   GLU  15           HG2      GLU  15   0.997  -4.808   8.426
  136   2HG   GLU  15           HG1      GLU  15   0.328  -4.696   6.798
  137    H    THR  16           HN       THR  16   0.779  -1.988   5.708
  138    HA   THR  16           HA       THR  16  -0.192  -1.399   8.439
  139    HB   THR  16           HB       THR  16   1.446   0.394   8.189
  140    HG1  THR  16           HG1      THR  16  -0.972   0.707   8.671
  141   1HG2  THR  16          HG23      THR  16   0.965   0.152   5.446
  142   2HG2  THR  16          HG22      THR  16   0.157   1.657   5.869
  143   3HG2  THR  16          HG21      THR  16   1.875   1.455   6.203
  144    H    THR  17           HN       THR  17  -2.305  -0.485   8.473
  145    HA   THR  17           HA       THR  17  -3.796  -0.905   5.911
  146    HB   THR  17           HB       THR  17  -5.665  -1.614   7.216
  147    HG1  THR  17           HG1      THR  17  -5.942  -0.112   8.719
  148   1HG2  THR  17          HG23      THR  17  -3.257  -2.862   7.742
  149   2HG2  THR  17          HG22      THR  17  -3.754  -2.359   9.354
  150   3HG2  THR  17          HG21      THR  17  -4.801  -3.399   8.393
  151    H    THR  18           HN       THR  18  -5.134   0.663   5.118
  152    HA   THR  18           HA       THR  18  -5.347   3.215   6.669
  153    HB   THR  18           HB       THR  18  -3.648   3.187   4.644
  154    HG1  THR  18           HG1      THR  18  -4.283   5.337   4.380
  155   1HG2  THR  18          HG23      THR  18  -5.664   2.233   3.163
  156   2HG2  THR  18          HG22      THR  18  -6.145   3.926   3.134
  157   3HG2  THR  18          HG21      THR  18  -4.576   3.444   2.497
  158    H    GLU  19           HN       GLU  19  -7.268   4.369   6.392
  159    HA   GLU  19           HA       GLU  19  -9.519   2.738   5.383
  160   1HB   GLU  19           HB2      GLU  19  -9.494   4.005   7.625
  161   2HB   GLU  19           HB1      GLU  19  -9.724   5.461   6.663
  162   1HG   GLU  19           HG2      GLU  19 -11.639   3.948   5.543
  163   2HG   GLU  19           HG1      GLU  19 -11.600   3.182   7.130
  164    H    ALA  20           HN       ALA  20 -10.249   2.993   3.379
  165    HA   ALA  20           HA       ALA  20 -10.212   5.708   2.159
  166   1HB   ALA  20           HB1      ALA  20  -8.665   3.368   1.299
  167   2HB   ALA  20           HB3      ALA  20  -9.639   4.072   0.011
  168   3HB   ALA  20           HB2      ALA  20  -8.464   5.062   0.870
  169    H    VAL  21           HN       VAL  21 -11.767   5.987   0.467
  170    HA   VAL  21           HA       VAL  21 -14.086   4.176   0.789
  171    HB   VAL  21           HB       VAL  21 -14.337   6.676   0.923
  172   1HG1  VAL  21          HG12      VAL  21 -12.657   7.021  -0.992
  173   2HG1  VAL  21          HG11      VAL  21 -13.972   6.591  -2.081
  174   3HG1  VAL  21          HG13      VAL  21 -14.113   8.010  -1.048
  175   1HG2  VAL  21          HG23      VAL  21 -16.236   5.165   0.351
  176   2HG2  VAL  21          HG22      VAL  21 -16.378   6.726  -0.451
  177   3HG2  VAL  21          HG21      VAL  21 -15.823   5.319  -1.354
  178    H    ASP  22           HN       ASP  22 -11.664   5.031  -1.551
  179    HA   ASP  22           HA       ASP  22 -12.768   2.946  -3.365
  180   1HB   ASP  22           HB2      ASP  22 -12.342   4.401  -5.334
  181   2HB   ASP  22           HB1      ASP  22 -13.569   5.080  -4.267
  182    H    ALA  23           HN       ALA  23 -11.089   2.614  -5.232
  183    HA   ALA  23           HA       ALA  23  -8.590   1.891  -3.924
  184   1HB   ALA  23           HB3      ALA  23  -9.695   1.586  -6.704
  185   2HB   ALA  23           HB2      ALA  23  -8.004   1.222  -6.371
  186   3HB   ALA  23           HB1      ALA  23  -9.277   0.333  -5.539
  187    H    ALA  24           HN       ALA  24  -9.476   4.120  -6.544
  188    HA   ALA  24           HA       ALA  24  -6.956   5.131  -7.192
  189   1HB   ALA  24           HB3      ALA  24  -9.703   6.305  -7.166
  190   2HB   ALA  24           HB2      ALA  24  -8.342   7.388  -7.436
  191   3HB   ALA  24           HB1      ALA  24  -8.617   6.032  -8.525
  192    H    THR  25           HN       THR  25  -9.099   6.246  -4.587
  193    HA   THR  25           HA       THR  25  -7.234   8.225  -3.622
  194    HB   THR  25           HB       THR  25  -9.852   7.903  -3.137
  195    HG1  THR  25           HG1      THR  25  -9.425   9.403  -1.565
  196   1HG2  THR  25          HG23      THR  25  -9.223   5.748  -1.752
  197   2HG2  THR  25          HG22      THR  25  -8.615   6.901  -0.567
  198   3HG2  THR  25          HG21      THR  25 -10.314   6.920  -1.022
  199    H    ALA  26           HN       ALA  26  -7.670   4.820  -3.066
  200    HA   ALA  26           HA       ALA  26  -6.064   4.693  -0.654
  201   1HB   ALA  26           HB2      ALA  26  -7.699   2.935  -1.248
  202   2HB   ALA  26           HB1      ALA  26  -6.725   2.516  -2.653
  203   3HB   ALA  26           HB3      ALA  26  -6.085   2.263  -1.032
  204    H    GLU  27           HN       GLU  27  -5.432   4.350  -4.098
  205    HA   GLU  27           HA       GLU  27  -2.781   3.353  -3.949
  206   1HB   GLU  27           HB2      GLU  27  -4.147   5.115  -5.987
  207   2HB   GLU  27           HB1      GLU  27  -2.542   4.442  -6.217
  208   1HG   GLU  27           HG2      GLU  27  -3.487   2.152  -5.867
  209   2HG   GLU  27           HG1      GLU  27  -5.093   2.868  -5.757
  210    H    LYS  28           HN       LYS  28  -3.922   6.721  -4.198
  211    HA   LYS  28           HA       LYS  28  -1.260   7.820  -3.977
  212   1HB   LYS  28           HB2      LYS  28  -2.417   9.986  -3.678
  213   2HB   LYS  28           HB1      LYS  28  -3.057   9.086  -5.047
  214   1HG   LYS  28           HG2      LYS  28  -4.891   8.227  -3.588
  215   2HG   LYS  28           HG1      LYS  28  -4.272   9.213  -2.268
  216   1HD   LYS  28           HD2      LYS  28  -4.474  10.935  -4.509
  217   2HD   LYS  28           HD1      LYS  28  -5.969  10.008  -4.466
  218   1HE   LYS  28           HE2      LYS  28  -4.772  11.537  -2.131
  219   2HE   LYS  28           HE1      LYS  28  -6.161  12.048  -3.082
  220   1HZ   LYS  28           HZ1      LYS  28  -6.147   9.424  -1.744
  221   2HZ   LYS  28           HZ3      LYS  28  -6.556  10.831  -0.885
  222   3HZ   LYS  28           HZ2      LYS  28  -7.470  10.367  -2.238
  223    H    VAL  29           HN       VAL  29  -3.802   7.086  -1.666
  224    HA   VAL  29           HA       VAL  29  -2.713   8.502   0.565
  225    HB   VAL  29           HB       VAL  29  -4.448   6.041   0.364
  226   1HG1  VAL  29          HG11      VAL  29  -3.238   7.399   2.763
  227   2HG1  VAL  29          HG13      VAL  29  -4.837   6.673   2.888
  228   3HG1  VAL  29          HG12      VAL  29  -3.449   5.678   2.457
  229   1HG2  VAL  29          HG22      VAL  29  -5.110   8.572  -0.160
  230   2HG2  VAL  29          HG21      VAL  29  -6.218   7.512   0.704
  231   3HG2  VAL  29          HG23      VAL  29  -5.225   8.661   1.594
  232    H    PHE  30           HN       PHE  30  -2.542   4.999  -0.066
  233    HA   PHE  30           HA       PHE  30  -0.552   4.443   1.870
  234   1HB   PHE  30           HB2      PHE  30  -1.453   3.093  -0.649
  235   2HB   PHE  30           HB1      PHE  30   0.015   2.525   0.128
  236    HD1  PHE  30           HD1      PHE  30  -0.310   2.383   2.878
  237    HD2  PHE  30           HD2      PHE  30  -3.387   1.933  -0.039
  238    HE1  PHE  30           HE1      PHE  30  -1.674   1.129   4.497
  239    HE2  PHE  30           HE2      PHE  30  -4.721   0.670   1.582
  240    HZ   PHE  30           HZ       PHE  30  -3.863   0.229   3.834
  241    H    LYS  31           HN       LYS  31  -0.263   5.502  -1.487
  242    HA   LYS  31           HA       LYS  31   2.549   5.173  -1.767
  243   1HB   LYS  31           HB2      LYS  31   1.076   5.719  -3.662
  244   2HB   LYS  31           HB1      LYS  31   0.767   7.306  -2.963
  245   1HG   LYS  31           HG2      LYS  31   2.766   8.134  -3.663
  246   2HG   LYS  31           HG1      LYS  31   3.631   6.672  -3.207
  247   1HD   LYS  31           HD2      LYS  31   2.822   5.538  -5.239
  248   2HD   LYS  31           HD1      LYS  31   1.902   6.970  -5.686
  249   1HE   LYS  31           HE2      LYS  31   4.178   6.731  -6.819
  250   2HE   LYS  31           HE1      LYS  31   3.895   8.265  -6.005
  251   1HZ   LYS  31           HZ3      LYS  31   5.059   6.197  -4.353
  252   2HZ   LYS  31           HZ2      LYS  31   6.047   6.740  -5.624
  253   3HZ   LYS  31           HZ1      LYS  31   5.453   7.844  -4.479
  254    H    GLN  32           HN       GLN  32   0.627   7.690  -0.271
  255    HA   GLN  32           HA       GLN  32   2.764   9.574   0.113
  256   1HB   GLN  32           HB2      GLN  32   0.335  10.125   0.325
  257   2HB   GLN  32           HB1      GLN  32   0.284   9.183   1.811
  258   1HG   GLN  32           HG2      GLN  32   2.518  10.950   2.004
  259   2HG   GLN  32           HG1      GLN  32   1.139  11.903   1.463
  260   1HE2  GLN  32          HE22      GLN  32   0.876   9.983   5.098
  261   2HE2  GLN  32          HE21      GLN  32   1.870   9.330   3.887
  262    OH   TYR  33           OH       TYR  33   5.071   2.521   7.972
  263    H    TYR  33           HN       TYR  33   1.692   6.738   1.826
  264    HA   TYR  33           HA       TYR  33   3.243   7.238   4.229
  265   1HB   TYR  33           HB2      TYR  33   1.325   5.737   4.328
  266   2HB   TYR  33           HB1      TYR  33   2.045   4.693   3.109
  267    HD1  TYR  33           HD1      TYR  33   4.189   3.476   3.638
  268    HD2  TYR  33           HD2      TYR  33   1.996   5.560   6.628
  269    HE1  TYR  33           HE1      TYR  33   5.401   2.252   5.378
  270    HE2  TYR  33           HE2      TYR  33   3.210   4.334   8.370
  271    HH   TYR  33           HH       TYR  33   5.994   2.780   7.929
  272    H    ALA  34           HN       ALA  34   3.645   4.958   1.535
  273    HA   ALA  34           HA       ALA  34   6.133   3.885   2.154
  274   1HB   ALA  34           HB1      ALA  34   4.496   3.944  -0.101
  275   2HB   ALA  34           HB3      ALA  34   6.014   4.638  -0.662
  276   3HB   ALA  34           HB2      ALA  34   5.994   3.035   0.065
  277    H    ASN  35           HN       ASN  35   5.428   7.038   0.751
  278    HA   ASN  35           HA       ASN  35   8.037   7.854   0.056
  279   1HB   ASN  35           HB2      ASN  35   6.001   9.170  -0.446
  280   2HB   ASN  35           HB1      ASN  35   5.838   9.555   1.265
  281   1HD2  ASN  35          HD22      ASN  35   7.663  12.475   0.291
  282   2HD2  ASN  35          HD21      ASN  35   6.102  11.870   0.572
  283    H    ASP  36           HN       ASP  36   6.387   7.996   3.180
  284    HA   ASP  36           HA       ASP  36   8.630   9.253   4.534
  285   1HB   ASP  36           HB2      ASP  36   6.199   7.791   5.599
  286   2HB   ASP  36           HB1      ASP  36   7.353   8.664   6.605
  287    H    ASN  37           HN       ASN  37   8.662   6.462   3.084
  288    HA   ASN  37           HA       ASN  37  10.328   5.148   5.191
  289   1HB   ASN  37           HB2      ASN  37   8.169   3.931   3.476
  290   2HB   ASN  37           HB1      ASN  37   9.456   2.944   4.162
  291   1HD2  ASN  37          HD22      ASN  37   6.544   4.471   6.588
  292   2HD2  ASN  37          HD21      ASN  37   6.665   4.972   4.971
  293    H    GLY  38           HN       GLY  38   9.837   5.979   1.877
  294   1HA   GLY  38           HA2      GLY  38  11.545   6.139   0.223
  295   2HA   GLY  38           HA1      GLY  38  12.619   5.235   1.286
  296    H    VAL  39           HN       VAL  39   9.429   4.562  -0.145
  297    HA   VAL  39           HA       VAL  39  10.609   2.209  -1.530
  298    HB   VAL  39           HB       VAL  39   8.129   2.073   0.208
  299   1HG1  VAL  39          HG12      VAL  39   9.654  -0.030  -1.371
  300   2HG1  VAL  39          HG11      VAL  39   8.316  -0.368  -0.279
  301   3HG1  VAL  39          HG13      VAL  39   8.042   0.572  -1.742
  302   1HG2  VAL  39          HG21      VAL  39  11.000   1.215   0.611
  303   2HG2  VAL  39          HG23      VAL  39   9.970   2.134   1.705
  304   3HG2  VAL  39          HG22      VAL  39   9.683   0.414   1.463
  305    H    ASP  40           HN       ASP  40  10.279   3.156  -3.525
  306    HA   ASP  40           HA       ASP  40   7.431   3.315  -4.377
  307   1HB   ASP  40           HB2      ASP  40   9.489   5.420  -5.090
  308   2HB   ASP  40           HB1      ASP  40   7.780   5.426  -5.517
  309    H    GLY  41           HN       GLY  41   7.122   2.201  -6.200
  310   1HA   GLY  41           HA2      GLY  41   8.848   2.248  -8.467
  311   2HA   GLY  41           HA1      GLY  41   9.209   0.801  -7.531
  312    H    GLU  42           HN       GLU  42   7.712  -0.864  -7.449
  313    HA   GLU  42           HA       GLU  42   5.537  -0.684  -9.483
  314   1HB   GLU  42           HB2      GLU  42   6.561  -3.173  -8.148
  315   2HB   GLU  42           HB1      GLU  42   5.665  -3.051  -9.655
  316   1HG   GLU  42           HG2      GLU  42   7.699  -3.089 -10.674
  317   2HG   GLU  42           HG1      GLU  42   7.867  -1.426 -10.115
  318    CH2  TRP  43           CH2      TRP  43   2.293   2.590  -2.091
  319    H    TRP  43           HN       TRP  43   3.503  -0.558  -8.814
  320    HA   TRP  43           HA       TRP  43   2.886  -1.308  -5.981
  321   1HB   TRP  43           HB2      TRP  43   1.852   0.834  -7.808
  322   2HB   TRP  43           HB1      TRP  43   0.900   0.299  -6.435
  323    HD1  TRP  43           HD1      TRP  43   4.500   1.497  -7.196
  324    HE1  TRP  43           HE1      TRP  43   5.219   2.883  -5.185
  325    HE3  TRP  43           HE3      TRP  43   0.561   0.721  -4.271
  326    HZ2  TRP  43           HZ2      TRP  43   4.191   3.489  -2.462
  327    HZ3  TRP  43           HZ3      TRP  43   0.413   1.586  -1.994
  328    HH2  TRP  43           HH2      TRP  43   2.227   2.965  -1.080
  329    H    THR  44           HN       THR  44   1.286  -2.726  -5.574
  330    HA   THR  44           HA       THR  44  -0.335  -3.690  -7.907
  331    HB   THR  44           HB       THR  44   0.103  -5.926  -7.361
  332    HG1  THR  44           HG1      THR  44   0.660  -6.344  -5.091
  333   1HG2  THR  44          HG22      THR  44   2.372  -4.751  -7.636
  334   2HG2  THR  44          HG21      THR  44   2.425  -4.642  -5.879
  335   3HG2  THR  44          HG23      THR  44   2.410  -6.218  -6.663
  336    OH   TYR  45           OH       TYR  45  -8.791  -1.252  -3.065
  337    H    TYR  45           HN       TYR  45  -2.306  -4.910  -7.164
  338    HA   TYR  45           HA       TYR  45  -3.447  -3.857  -4.618
  339   1HB   TYR  45           HB2      TYR  45  -3.994  -2.421  -6.708
  340   2HB   TYR  45           HB1      TYR  45  -5.000  -3.778  -7.217
  341    HD1  TYR  45           HD1      TYR  45  -6.491  -4.670  -4.896
  342    HD2  TYR  45           HD2      TYR  45  -5.273  -0.711  -5.841
  343    HE1  TYR  45           HE1      TYR  45  -8.251  -3.787  -3.461
  344    HE2  TYR  45           HE2      TYR  45  -7.077   0.169  -4.451
  345    HH   TYR  45           HH       TYR  45  -9.223  -0.542  -3.546
  346    H    ASP  46           HN       ASP  46  -4.446  -5.463  -3.542
  347    HA   ASP  46           HA       ASP  46  -5.184  -7.939  -5.059
  348   1HB   ASP  46           HB2      ASP  46  -3.420  -7.977  -3.155
  349   2HB   ASP  46           HB1      ASP  46  -4.803  -7.808  -2.076
  350    H    ASP  47           HN       ASP  47  -7.219  -6.776  -5.591
  351    HA   ASP  47           HA       ASP  47  -9.093  -6.009  -3.560
  352   1HB   ASP  47           HB2      ASP  47  -9.111  -5.493  -6.105
  353   2HB   ASP  47           HB1      ASP  47  -9.923  -7.049  -6.261
  354    H    ALA  48           HN       ALA  48  -7.944  -9.036  -4.440
  355    HA   ALA  48           HA       ALA  48 -10.291 -10.651  -4.166
  356   1HB   ALA  48           HB2      ALA  48  -7.696 -11.161  -4.804
  357   2HB   ALA  48           HB1      ALA  48  -7.751 -11.784  -3.158
  358   3HB   ALA  48           HB3      ALA  48  -8.858 -12.413  -4.375
  359    H    THR  49           HN       THR  49  -8.028  -9.321  -1.830
  360    HA   THR  49           HA       THR  49  -9.921 -10.106   0.340
  361    HB   THR  49           HB       THR  49  -8.253 -11.130   1.657
  362    HG1  THR  49           HG1      THR  49  -5.987 -10.536   0.996
  363   1HG2  THR  49          HG23      THR  49  -8.375 -12.279  -0.696
  364   2HG2  THR  49          HG22      THR  49  -6.849 -11.456  -1.006
  365   3HG2  THR  49          HG21      THR  49  -6.970 -12.622   0.308
  366    H    LYS  50           HN       LYS  50  -9.059  -7.601  -1.187
  367    HA   LYS  50           HA       LYS  50  -8.675  -5.346  -0.687
  368   1HB   LYS  50           HB2      LYS  50  -9.792  -6.296   1.963
  369   2HB   LYS  50           HB1      LYS  50  -9.551  -4.604   1.545
  370   1HG   LYS  50           HG2      LYS  50 -11.002  -4.969  -0.483
  371   2HG   LYS  50           HG1      LYS  50 -11.341  -6.591   0.111
  372   1HD   LYS  50           HD2      LYS  50 -13.109  -5.520   1.121
  373   2HD   LYS  50           HD1      LYS  50 -11.896  -5.181   2.351
  374   1HE   LYS  50           HE2      LYS  50 -11.350  -3.057   1.028
  375   2HE   LYS  50           HE1      LYS  50 -12.813  -3.369   0.103
  376   1HZ   LYS  50           HZ1      LYS  50 -13.782  -3.586   2.541
  377   2HZ   LYS  50           HZ3      LYS  50 -12.509  -2.511   2.867
  378   3HZ   LYS  50           HZ2      LYS  50 -13.695  -2.102   1.722
  379    H    THR  51           HN       THR  51  -6.371  -6.360  -0.831
  380    HA   THR  51           HA       THR  51  -4.882  -5.397   1.572
  381    HB   THR  51           HB       THR  51  -4.650  -8.112   0.235
  382    HG1  THR  51           HG1      THR  51  -5.762  -7.168   2.333
  383   1HG2  THR  51          HG23      THR  51  -2.609  -6.760   2.046
  384   2HG2  THR  51          HG22      THR  51  -2.591  -8.454   1.583
  385   3HG2  THR  51          HG21      THR  51  -2.316  -7.210   0.371
  386    H    PHE  52           HN       PHE  52  -3.629  -3.746   0.839
  387    HA   PHE  52           HA       PHE  52  -2.896  -3.570  -1.981
  388   1HB   PHE  52           HB2      PHE  52  -2.920  -1.816   0.318
  389   2HB   PHE  52           HB1      PHE  52  -1.402  -1.692  -0.558
  390    HD1  PHE  52           HD1      PHE  52  -1.412  -1.054  -2.998
  391    HD2  PHE  52           HD2      PHE  52  -4.977  -1.122  -0.704
  392    HE1  PHE  52           HE1      PHE  52  -2.582   0.236  -4.745
  393    HE2  PHE  52           HE2      PHE  52  -6.093   0.278  -2.357
  394    HZ   PHE  52           HZ       PHE  52  -4.885   0.992  -4.367
  395    H    THR  53           HN       THR  53  -0.609  -3.364  -2.670
  396    HA   THR  53           HA       THR  53   1.465  -4.302  -0.834
  397    HB   THR  53           HB       THR  53   0.468  -6.101  -3.067
  398    HG1  THR  53           HG1      THR  53   0.263  -7.449  -1.253
  399   1HG2  THR  53          HG23      THR  53   3.017  -6.178  -1.408
  400   2HG2  THR  53          HG22      THR  53   2.370  -7.586  -2.245
  401   3HG2  THR  53          HG21      THR  53   2.912  -6.187  -3.166
  402    H    VAL  54           HN       VAL  54   3.428  -3.585  -1.456
  403    HA   VAL  54           HA       VAL  54   3.788  -2.721  -4.294
  404    HB   VAL  54           HB       VAL  54   3.178  -0.745  -2.880
  405   1HG1  VAL  54          HG12      VAL  54   4.178  -1.700  -0.793
  406   2HG1  VAL  54          HG11      VAL  54   5.774  -1.341  -1.439
  407   3HG1  VAL  54          HG13      VAL  54   4.645  -0.035  -1.099
  408   1HG2  VAL  54          HG21      VAL  54   6.031  -0.855  -3.905
  409   2HG2  VAL  54          HG23      VAL  54   4.613  -0.301  -4.776
  410   3HG2  VAL  54          HG22      VAL  54   5.230   0.624  -3.419
  411    H    THR  55           HN       THR  55   5.990  -2.706  -4.961
  412    HA   THR  55           HA       THR  55   7.960  -3.899  -3.079
  413    HB   THR  55           HB       THR  55   7.340  -5.089  -5.817
  414    HG1  THR  55           HG1      THR  55   5.979  -6.183  -4.627
  415   1HG2  THR  55          HG22      THR  55   9.547  -5.410  -3.857
  416   2HG2  THR  55          HG21      THR  55   8.763  -6.915  -4.327
  417   3HG2  THR  55          HG23      THR  55   9.490  -5.881  -5.550
  418    H    GLU  56           HN       GLU  56   9.717  -2.634  -3.171
  419    HA   GLU  56           HA       GLU  56  10.169  -0.676  -5.205
  420   1HB   GLU  56           HB2      GLU  56  11.290  -1.297  -2.728
  421   2HB   GLU  56           HB1      GLU  56  12.612  -1.526  -3.864
  422   1HG   GLU  56           HG2      GLU  56  12.008   0.741  -4.854
  423   2HG   GLU  56           HG1      GLU  56  10.914   0.960  -3.492
   
  Start of MODEL          29
 Raw file had 423 H/Q atoms
  Entry Start of MODEL   29
    1   1H    MET   1           HT2      MET   1 -13.706   0.540   5.693
    2   2H    MET   1           HT1      MET   1 -15.010   0.069   4.713
    3   3H    MET   1           HT3      MET   1 -13.731  -1.010   5.000
    4    HA   MET   1           HA       MET   1 -13.363  -0.197   2.851
    5   1HB   MET   1           HB2      MET   1 -13.424   2.651   3.791
    6   2HB   MET   1           HB1      MET   1 -13.669   2.012   2.169
    7   1HG   MET   1           HG2      MET   1 -15.551   1.796   4.522
    8   2HG   MET   1           HG1      MET   1 -15.793   2.751   3.085
    9   1HE   MET   1           HE3      MET   1 -16.409   1.988   0.860
   10   2HE   MET   1           HE2      MET   1 -17.691   0.781   0.773
   11   3HE   MET   1           HE1      MET   1 -17.831   2.136   1.893
   12    H    THR   2           HN       THR   2 -11.675  -1.151   4.685
   13    HA   THR   2           HA       THR   2  -9.314   0.683   4.485
   14    HB   THR   2           HB       THR   2  -9.845  -1.197   6.821
   15    HG1  THR   2           HG1      THR   2 -10.926   0.453   7.625
   16   1HG2  THR   2          HG22      THR   2  -7.467  -0.087   6.072
   17   2HG2  THR   2          HG21      THR   2  -8.160   1.254   6.976
   18   3HG2  THR   2          HG23      THR   2  -7.923  -0.304   7.758
   19    OH   TYR   3           OH       TYR   3 -11.705  -0.139  -1.068
   20    H    TYR   3           HN       TYR   3  -7.750  -0.197   3.295
   21    HA   TYR   3           HA       TYR   3  -7.738  -3.164   2.942
   22   1HB   TYR   3           HB2      TYR   3  -6.152  -1.167   1.327
   23   2HB   TYR   3           HB1      TYR   3  -6.554  -2.823   0.904
   24    HD1  TYR   3           HD1      TYR   3  -8.041   0.535   1.504
   25    HD2  TYR   3           HD2      TYR   3  -8.626  -3.333  -0.169
   26    HE1  TYR   3           HE1      TYR   3 -10.109   1.307   0.438
   27    HE2  TYR   3           HE2      TYR   3 -10.693  -2.558  -1.235
   28    HH   TYR   3           HH       TYR   3 -12.393  -0.122  -0.399
   29    H    LYS   4           HN       LYS   4  -5.673  -4.265   2.948
   30    HA   LYS   4           HA       LYS   4  -3.848  -3.081   4.990
   31   1HB   LYS   4           HB2      LYS   4  -5.043  -5.478   5.041
   32   2HB   LYS   4           HB1      LYS   4  -3.629  -5.925   4.103
   33   1HG   LYS   4           HG2      LYS   4  -2.367  -4.544   6.017
   34   2HG   LYS   4           HG1      LYS   4  -3.794  -5.003   6.941
   35   1HD   LYS   4           HD2      LYS   4  -3.405  -7.389   6.200
   36   2HD   LYS   4           HD1      LYS   4  -1.880  -6.860   5.498
   37   1HE   LYS   4           HE2      LYS   4  -0.962  -7.207   7.538
   38   2HE   LYS   4           HE1      LYS   4  -1.836  -5.775   8.067
   39   1HZ   LYS   4           HZ1      LYS   4  -3.589  -7.969   8.050
   40   2HZ   LYS   4           HZ3      LYS   4  -2.188  -8.397   8.909
   41   3HZ   LYS   4           HZ2      LYS   4  -3.078  -7.025   9.366
   42    H    LEU   5           HN       LEU   5  -1.942  -2.314   4.307
   43    HA   LEU   5           HA       LEU   5  -1.036  -2.986   1.577
   44   1HB   LEU   5           HB2      LEU   5  -0.932  -0.645   2.119
   45   2HB   LEU   5           HB1      LEU   5  -0.142  -0.960   3.654
   46    HG   LEU   5           HG       LEU   5   1.886  -1.802   2.339
   47   1HD1  LEU   5          HD11      LEU   5   0.360  -0.579   0.019
   48   2HD1  LEU   5          HD13      LEU   5   2.009  -1.179  -0.041
   49   3HD1  LEU   5          HD12      LEU   5   0.680  -2.298   0.213
   50   1HD2  LEU   5          HD22      LEU   5   1.534   0.588   3.221
   51   2HD2  LEU   5          HD21      LEU   5   2.737   0.373   1.957
   52   3HD2  LEU   5          HD23      LEU   5   1.149   1.011   1.558
   53    H    ILE   6           HN       ILE   6   1.065  -3.792   1.153
   54    HA   ILE   6           HA       ILE   6   2.533  -4.959   3.429
   55    HB   ILE   6           HB       ILE   6   1.984  -6.435   0.841
   56   1HG1  ILE   6          HG12      ILE   6   0.701  -6.580   3.584
   57   2HG1  ILE   6          HG11      ILE   6  -0.097  -6.346   2.035
   58   1HG2  ILE   6          HG21      ILE   6   4.136  -6.897   2.194
   59   2HG2  ILE   6          HG23      ILE   6   3.075  -7.517   3.453
   60   3HG2  ILE   6          HG22      ILE   6   3.105  -8.283   1.868
   61   1HD1  ILE   6           HD3      ILE   6   0.841  -8.663   1.392
   62   2HD1  ILE   6           HD2      ILE   6   1.191  -8.869   3.106
   63   3HD1  ILE   6           HD1      ILE   6  -0.466  -8.640   2.568
   64    H    LEU   7           HN       LEU   7   4.351  -3.789   3.374
   65    HA   LEU   7           HA       LEU   7   5.441  -2.781   0.871
   66   1HB   LEU   7           HB2      LEU   7   6.554  -2.715   3.673
   67   2HB   LEU   7           HB1      LEU   7   7.224  -1.842   2.305
   68    HG   LEU   7           HG       LEU   7   4.338  -1.418   2.613
   69   1HD1  LEU   7          HD13      LEU   7   6.245  -0.708   4.860
   70   2HD1  LEU   7          HD12      LEU   7   4.715   0.128   4.615
   71   3HD1  LEU   7          HD11      LEU   7   4.729  -1.594   4.978
   72   1HD2  LEU   7          HD21      LEU   7   5.860  -0.093   1.155
   73   2HD2  LEU   7          HD23      LEU   7   5.050   0.926   2.341
   74   3HD2  LEU   7          HD22      LEU   7   6.730   0.457   2.584
   75    H    ASN   8           HN       ASN   8   6.662  -3.898  -0.464
   76    HA   ASN   8           HA       ASN   8   8.242  -6.179   0.625
   77   1HB   ASN   8           HB2      ASN   8   6.635  -5.766  -1.762
   78   2HB   ASN   8           HB1      ASN   8   8.251  -6.293  -2.181
   79   1HD2  ASN   8          HD22      ASN   8   5.742  -9.050  -1.096
   80   2HD2  ASN   8          HD21      ASN   8   5.389  -7.594  -1.881
   81    H    GLY   9           HN       GLY   9   9.116  -3.515   0.950
   82   1HA   GLY   9           HA2      GLY   9  10.862  -2.551  -1.046
   83   2HA   GLY   9           HA1      GLY   9  11.094  -2.263   0.671
   84    H    LYS  10           HN       LYS  10  12.992  -2.925  -1.542
   85    HA   LYS  10           HA       LYS  10  13.939  -5.603  -1.222
   86   1HB   LYS  10           HB2      LYS  10  14.581  -3.508  -2.869
   87   2HB   LYS  10           HB1      LYS  10  15.978  -3.543  -1.802
   88   1HG   LYS  10           HG2      LYS  10  16.622  -5.063  -3.463
   89   2HG   LYS  10           HG1      LYS  10  15.920  -6.144  -2.267
   90   1HD   LYS  10           HD2      LYS  10  13.760  -6.084  -3.491
   91   2HD   LYS  10           HD1      LYS  10  14.467  -4.999  -4.680
   92   1HE   LYS  10           HE2      LYS  10  16.186  -7.290  -4.334
   93   2HE   LYS  10           HE1      LYS  10  14.548  -7.836  -4.671
   94   1HZ   LYS  10           HZ2      LYS  10  14.993  -5.739  -6.391
   95   2HZ   LYS  10           HZ1      LYS  10  16.431  -6.641  -6.417
   96   3HZ   LYS  10           HZ3      LYS  10  14.952  -7.392  -6.782
   97    H    THR  11           HN       THR  11  14.993  -2.555   0.262
   98    HA   THR  11           HA       THR  11  16.646  -4.091   2.173
   99    HB   THR  11           HB       THR  11  17.857  -2.112   2.470
  100    HG1  THR  11           HG1      THR  11  15.526  -0.685   1.725
  101   1HG2  THR  11          HG21      THR  11  17.604  -2.528  -0.072
  102   2HG2  THR  11          HG23      THR  11  16.366  -1.277  -0.032
  103   3HG2  THR  11          HG22      THR  11  18.027  -0.887   0.405
  104    H    LEU  12           HN       LEU  12  13.493  -3.253   2.000
  105    HA   LEU  12           HA       LEU  12  13.217  -3.353   4.936
  106   1HB   LEU  12           HB2      LEU  12  13.544  -0.906   4.253
  107   2HB   LEU  12           HB1      LEU  12  11.967  -1.023   3.483
  108    HG   LEU  12           HG       LEU  12  11.424  -2.125   5.928
  109   1HD1  LEU  12          HD12      LEU  12  13.784  -1.541   6.636
  110   2HD1  LEU  12          HD11      LEU  12  13.361   0.156   6.436
  111   3HD1  LEU  12          HD13      LEU  12  12.533  -0.821   7.645
  112   1HD2  LEU  12          HD22      LEU  12  11.345   0.774   5.035
  113   2HD2  LEU  12          HD21      LEU  12  10.052  -0.414   4.913
  114   3HD2  LEU  12          HD23      LEU  12  10.544   0.194   6.491
  115    H    LYS  13           HN       LYS  13  11.255  -4.139   5.600
  116    HA   LYS  13           HA       LYS  13   9.097  -4.456   3.561
  117   1HB   LYS  13           HB2      LYS  13  10.432  -6.633   5.164
  118   2HB   LYS  13           HB1      LYS  13   8.772  -6.816   4.623
  119   1HG   LYS  13           HG2      LYS  13   9.385  -7.095   2.441
  120   2HG   LYS  13           HG1      LYS  13  10.643  -5.874   2.534
  121   1HD   LYS  13           HD2      LYS  13  11.629  -8.107   2.187
  122   2HD   LYS  13           HD1      LYS  13  12.098  -7.464   3.755
  123   1HE   LYS  13           HE2      LYS  13  11.047  -9.146   4.847
  124   2HE   LYS  13           HE1      LYS  13   9.575  -8.914   3.914
  125   1HZ   LYS  13           HZ2      LYS  13  10.881 -10.079   2.058
  126   2HZ   LYS  13           HZ1      LYS  13  11.895 -10.618   3.310
  127   3HZ   LYS  13           HZ3      LYS  13  10.244 -11.018   3.323
  128    H    GLY  14           HN       GLY  14   7.030  -4.304   4.416
  129   1HA   GLY  14           HA2      GLY  14   6.541  -4.535   7.283
  130   2HA   GLY  14           HA1      GLY  14   6.522  -2.864   6.729
  131    H    GLU  15           HN       GLU  15   4.262  -2.911   7.441
  132    HA   GLU  15           HA       GLU  15   2.437  -3.267   5.266
  133   1HB   GLU  15           HB2      GLU  15   1.066  -5.106   6.193
  134   2HB   GLU  15           HB1      GLU  15   2.690  -5.661   5.816
  135   1HG   GLU  15           HG2      GLU  15   2.980  -4.764   8.411
  136   2HG   GLU  15           HG1      GLU  15   1.349  -5.429   8.431
  137    H    THR  16           HN       THR  16   0.676  -2.004   5.629
  138    HA   THR  16           HA       THR  16  -0.213  -1.481   8.397
  139    HB   THR  16           HB       THR  16   1.438   0.297   8.181
  140    HG1  THR  16           HG1      THR  16  -0.175   2.075   7.958
  141   1HG2  THR  16          HG23      THR  16   0.879   0.152   5.430
  142   2HG2  THR  16          HG22      THR  16   0.180   1.686   5.934
  143   3HG2  THR  16          HG21      THR  16   1.889   1.363   6.207
  144    H    THR  17           HN       THR  17  -2.320  -0.568   8.512
  145    HA   THR  17           HA       THR  17  -3.867  -0.906   5.977
  146    HB   THR  17           HB       THR  17  -5.724  -1.572   7.312
  147    HG1  THR  17           HG1      THR  17  -5.765  -0.908   9.500
  148   1HG2  THR  17          HG23      THR  17  -3.348  -2.881   7.802
  149   2HG2  THR  17          HG22      THR  17  -3.784  -2.344   9.421
  150   3HG2  THR  17          HG21      THR  17  -4.888  -3.365   8.504
  151    H    THR  18           HN       THR  18  -5.051   0.741   5.147
  152    HA   THR  18           HA       THR  18  -5.233   3.273   6.737
  153    HB   THR  18           HB       THR  18  -3.479   3.217   4.767
  154    HG1  THR  18           HG1      THR  18  -4.776   4.978   5.990
  155   1HG2  THR  18          HG21      THR  18  -5.493   2.350   3.216
  156   2HG2  THR  18          HG23      THR  18  -5.884   4.065   3.176
  157   3HG2  THR  18          HG22      THR  18  -4.319   3.504   2.594
  158    H    GLU  19           HN       GLU  19  -7.061   4.575   6.320
  159    HA   GLU  19           HA       GLU  19  -9.397   3.036   5.388
  160   1HB   GLU  19           HB2      GLU  19  -9.326   5.872   6.439
  161   2HB   GLU  19           HB1      GLU  19 -10.722   4.807   6.346
  162   1HG   GLU  19           HG2      GLU  19  -8.757   3.369   7.784
  163   2HG   GLU  19           HG1      GLU  19  -8.732   5.003   8.440
  164    H    ALA  20           HN       ALA  20 -10.137   3.164   3.367
  165    HA   ALA  20           HA       ALA  20  -9.803   5.715   1.865
  166   1HB   ALA  20           HB3      ALA  20  -8.421   3.230   1.325
  167   2HB   ALA  20           HB2      ALA  20  -9.453   3.669  -0.033
  168   3HB   ALA  20           HB1      ALA  20  -8.228   4.796   0.544
  169    H    VAL  21           HN       VAL  21 -11.629   6.294   0.858
  170    HA   VAL  21           HA       VAL  21 -13.973   4.572   1.018
  171    HB   VAL  21           HB       VAL  21 -13.972   7.109   1.219
  172   1HG1  VAL  21          HG13      VAL  21 -12.477   7.278  -0.896
  173   2HG1  VAL  21          HG12      VAL  21 -13.967   7.038  -1.804
  174   3HG1  VAL  21          HG11      VAL  21 -13.796   8.433  -0.744
  175   1HG2  VAL  21          HG21      VAL  21 -16.039   5.779   0.867
  176   2HG2  VAL  21          HG23      VAL  21 -16.127   7.324   0.026
  177   3HG2  VAL  21          HG22      VAL  21 -15.782   5.850  -0.873
  178    H    ASP  22           HN       ASP  22 -11.569   5.294  -1.362
  179    HA   ASP  22           HA       ASP  22 -12.939   3.434  -3.247
  180   1HB   ASP  22           HB2      ASP  22 -12.318   4.925  -5.143
  181   2HB   ASP  22           HB1      ASP  22 -13.458   5.691  -4.038
  182    H    ALA  23           HN       ALA  23 -11.474   2.505  -4.841
  183    HA   ALA  23           HA       ALA  23  -8.966   1.717  -3.657
  184   1HB   ALA  23           HB1      ALA  23 -10.436   1.161  -6.169
  185   2HB   ALA  23           HB3      ALA  23  -8.690   0.945  -6.240
  186   3HB   ALA  23           HB2      ALA  23  -9.642   0.046  -5.062
  187    H    ALA  24           HN       ALA  24  -9.907   4.219  -5.876
  188    HA   ALA  24           HA       ALA  24  -7.325   4.758  -7.006
  189   1HB   ALA  24           HB3      ALA  24  -9.830   5.709  -7.463
  190   2HB   ALA  24           HB2      ALA  24  -9.134   7.060  -6.574
  191   3HB   ALA  24           HB1      ALA  24  -8.371   6.496  -8.057
  192    H    THR  25           HN       THR  25  -9.071   6.612  -4.512
  193    HA   THR  25           HA       THR  25  -6.891   8.205  -3.700
  194    HB   THR  25           HB       THR  25  -9.432   8.273  -2.952
  195    HG1  THR  25           HG1      THR  25  -7.037   9.102  -2.001
  196   1HG2  THR  25          HG23      THR  25  -9.026   5.991  -1.679
  197   2HG2  THR  25          HG22      THR  25  -8.189   7.004  -0.507
  198   3HG2  THR  25          HG21      THR  25  -9.895   7.277  -0.849
  199    H    ALA  26           HN       ALA  26  -7.619   4.879  -2.985
  200    HA   ALA  26           HA       ALA  26  -5.919   4.598  -0.686
  201   1HB   ALA  26           HB2      ALA  26  -7.617   2.911  -1.323
  202   2HB   ALA  26           HB1      ALA  26  -6.669   2.511  -2.750
  203   3HB   ALA  26           HB3      ALA  26  -6.023   2.188  -1.145
  204    H    GLU  27           HN       GLU  27  -5.365   4.351  -4.149
  205    HA   GLU  27           HA       GLU  27  -2.697   3.339  -4.037
  206   1HB   GLU  27           HB2      GLU  27  -4.155   5.025  -6.081
  207   2HB   GLU  27           HB1      GLU  27  -2.525   4.420  -6.334
  208   1HG   GLU  27           HG2      GLU  27  -3.402   2.091  -5.886
  209   2HG   GLU  27           HG1      GLU  27  -5.025   2.771  -5.869
  210    H    LYS  28           HN       LYS  28  -4.015   6.601  -3.931
  211    HA   LYS  28           HA       LYS  28  -1.359   7.838  -3.935
  212   1HB   LYS  28           HB2      LYS  28  -3.768   9.355  -3.052
  213   2HB   LYS  28           HB1      LYS  28  -2.462   9.852  -4.121
  214   1HG   LYS  28           HG2      LYS  28  -3.364   8.190  -5.822
  215   2HG   LYS  28           HG1      LYS  28  -4.765   7.992  -4.777
  216   1HD   LYS  28           HD2      LYS  28  -5.089  10.500  -4.878
  217   2HD   LYS  28           HD1      LYS  28  -3.827  10.552  -6.104
  218   1HE   LYS  28           HE2      LYS  28  -5.603  10.280  -7.532
  219   2HE   LYS  28           HE1      LYS  28  -5.379   8.581  -7.133
  220   1HZ   LYS  28           HZ3      LYS  28  -7.025  10.097  -5.293
  221   2HZ   LYS  28           HZ2      LYS  28  -7.678   9.872  -6.845
  222   3HZ   LYS  28           HZ1      LYS  28  -7.235   8.527  -5.906
  223    H    VAL  29           HN       VAL  29  -3.830   7.027  -1.570
  224    HA   VAL  29           HA       VAL  29  -2.701   8.448   0.642
  225    HB   VAL  29           HB       VAL  29  -4.453   5.996   0.479
  226   1HG1  VAL  29          HG13      VAL  29  -3.253   7.405   2.859
  227   2HG1  VAL  29          HG12      VAL  29  -4.820   6.614   2.989
  228   3HG1  VAL  29          HG11      VAL  29  -3.393   5.676   2.562
  229   1HG2  VAL  29          HG21      VAL  29  -5.159   8.465  -0.112
  230   2HG2  VAL  29          HG23      VAL  29  -6.216   7.485   0.899
  231   3HG2  VAL  29          HG22      VAL  29  -5.156   8.683   1.636
  232    H    PHE  30           HN       PHE  30  -2.516   4.954  -0.075
  233    HA   PHE  30           HA       PHE  30  -0.525   4.384   1.870
  234   1HB   PHE  30           HB2      PHE  30  -1.462   3.032  -0.633
  235   2HB   PHE  30           HB1      PHE  30   0.021   2.464   0.117
  236    HD1  PHE  30           HD1      PHE  30  -0.258   2.334   2.875
  237    HD2  PHE  30           HD2      PHE  30  -3.376   1.856   0.006
  238    HE1  PHE  30           HE1      PHE  30  -1.591   1.088   4.520
  239    HE2  PHE  30           HE2      PHE  30  -4.680   0.594   1.653
  240    HZ   PHE  30           HZ       PHE  30  -3.785   0.173   3.895
  241    H    LYS  31           HN       LYS  31  -0.283   5.584  -1.420
  242    HA   LYS  31           HA       LYS  31   2.529   5.179  -1.756
  243   1HB   LYS  31           HB2      LYS  31   1.137   5.712  -3.664
  244   2HB   LYS  31           HB1      LYS  31   0.677   7.252  -2.944
  245   1HG   LYS  31           HG2      LYS  31   2.759   8.217  -3.339
  246   2HG   LYS  31           HG1      LYS  31   3.595   6.669  -3.319
  247   1HD   LYS  31           HD2      LYS  31   2.661   6.079  -5.493
  248   2HD   LYS  31           HD1      LYS  31   1.663   7.529  -5.497
  249   1HE   LYS  31           HE2      LYS  31   3.913   7.582  -6.812
  250   2HE   LYS  31           HE1      LYS  31   3.519   8.955  -5.785
  251   1HZ   LYS  31           HZ2      LYS  31   5.238   6.669  -5.002
  252   2HZ   LYS  31           HZ1      LYS  31   5.792   8.206  -5.466
  253   3HZ   LYS  31           HZ3      LYS  31   4.883   8.025  -4.044
  254    H    GLN  32           HN       GLN  32   0.688   7.965  -0.557
  255    HA   GLN  32           HA       GLN  32   2.907   9.677  -0.088
  256   1HB   GLN  32           HB2      GLN  32   0.638  10.530   0.050
  257   2HB   GLN  32           HB1      GLN  32   0.269   9.446   1.385
  258   1HG   GLN  32           HG2      GLN  32   1.386  10.741   2.916
  259   2HG   GLN  32           HG1      GLN  32   2.643  11.191   1.768
  260   1HE2  GLN  32          HE22      GLN  32   0.897  14.061   0.567
  261   2HE2  GLN  32          HE21      GLN  32   2.114  12.937   0.202
  262    OH   TYR  33           OH       TYR  33   4.513   3.095   8.330
  263    H    TYR  33           HN       TYR  33   1.749   6.894   1.608
  264    HA   TYR  33           HA       TYR  33   3.262   7.442   4.049
  265   1HB   TYR  33           HB2      TYR  33   1.193   6.112   4.147
  266   2HB   TYR  33           HB1      TYR  33   1.913   4.907   3.087
  267    HD1  TYR  33           HD1      TYR  33   3.802   3.515   3.880
  268    HD2  TYR  33           HD2      TYR  33   1.856   6.260   6.481
  269    HE1  TYR  33           HE1      TYR  33   4.835   2.418   5.810
  270    HE2  TYR  33           HE2      TYR  33   2.889   5.161   8.414
  271    HH   TYR  33           HH       TYR  33   4.185   3.523   9.125
  272    H    ALA  34           HN       ALA  34   3.450   4.850   1.626
  273    HA   ALA  34           HA       ALA  34   5.874   3.698   2.312
  274   1HB   ALA  34           HB2      ALA  34   4.203   3.675   0.053
  275   2HB   ALA  34           HB1      ALA  34   5.803   4.084  -0.556
  276   3HB   ALA  34           HB3      ALA  34   5.565   2.605   0.367
  277    H    ASN  35           HN       ASN  35   5.352   6.750   0.661
  278    HA   ASN  35           HA       ASN  35   8.038   7.248  -0.156
  279   1HB   ASN  35           HB2      ASN  35   5.941   8.558  -0.794
  280   2HB   ASN  35           HB1      ASN  35   6.093   9.372   0.761
  281   1HD2  ASN  35          HD22      ASN  35   8.120  11.693  -0.994
  282   2HD2  ASN  35          HD21      ASN  35   6.621  11.429  -0.244
  283    H    ASP  36           HN       ASP  36   6.359   7.853   2.884
  284    HA   ASP  36           HA       ASP  36   8.586   9.273   4.092
  285   1HB   ASP  36           HB2      ASP  36   6.133   7.964   5.291
  286   2HB   ASP  36           HB1      ASP  36   7.283   8.930   6.211
  287    H    ASN  37           HN       ASN  37   8.919   6.475   2.943
  288    HA   ASN  37           HA       ASN  37  10.411   5.387   5.284
  289   1HB   ASN  37           HB2      ASN  37   8.394   3.940   3.575
  290   2HB   ASN  37           HB1      ASN  37   9.672   3.063   4.412
  291   1HD2  ASN  37          HD22      ASN  37   6.469   4.370   6.482
  292   2HD2  ASN  37          HD21      ASN  37   6.573   4.500   4.794
  293    H    GLY  38           HN       GLY  38   9.951   5.575   1.818
  294   1HA   GLY  38           HA2      GLY  38  11.988   5.892   0.428
  295   2HA   GLY  38           HA1      GLY  38  12.797   4.714   1.455
  296    H    VAL  39           HN       VAL  39   9.597   3.859   0.864
  297    HA   VAL  39           HA       VAL  39  10.496   1.790  -1.074
  298    HB   VAL  39           HB       VAL  39   7.796   1.889   0.259
  299   1HG1  VAL  39          HG13      VAL  39   8.583   0.255  -1.648
  300   2HG1  VAL  39          HG12      VAL  39   9.480  -0.532  -0.353
  301   3HG1  VAL  39          HG11      VAL  39   7.726  -0.401  -0.256
  302   1HG2  VAL  39          HG23      VAL  39  10.482   1.257   1.425
  303   2HG2  VAL  39          HG22      VAL  39   9.071   1.973   2.199
  304   3HG2  VAL  39          HG21      VAL  39   9.121   0.239   1.889
  305    H    ASP  40           HN       ASP  40  10.409   2.711  -3.081
  306    HA   ASP  40           HA       ASP  40   7.703   3.468  -4.046
  307   1HB   ASP  40           HB2      ASP  40  10.179   5.169  -4.449
  308   2HB   ASP  40           HB1      ASP  40   8.610   5.464  -5.195
  309    H    GLY  41           HN       GLY  41   7.301   2.279  -5.796
  310   1HA   GLY  41           HA2      GLY  41   9.071   2.136  -8.051
  311   2HA   GLY  41           HA1      GLY  41   9.177   0.640  -7.127
  312    H    GLU  42           HN       GLU  42   7.697  -0.892  -7.527
  313    HA   GLU  42           HA       GLU  42   5.499  -0.246  -9.409
  314   1HB   GLU  42           HB2      GLU  42   6.773  -2.778  -8.434
  315   2HB   GLU  42           HB1      GLU  42   5.217  -2.826  -9.248
  316   1HG   GLU  42           HG2      GLU  42   7.328  -3.078 -10.728
  317   2HG   GLU  42           HG1      GLU  42   6.116  -1.913 -11.254
  318    CH2  TRP  43           CH2      TRP  43   2.056   2.611  -2.191
  319    H    TRP  43           HN       TRP  43   3.323  -0.751  -8.952
  320    HA   TRP  43           HA       TRP  43   2.715  -1.215  -6.056
  321   1HB   TRP  43           HB2      TRP  43   1.684   0.877  -7.937
  322   2HB   TRP  43           HB1      TRP  43   0.707   0.354  -6.575
  323    HD1  TRP  43           HD1      TRP  43   4.293   1.614  -7.299
  324    HE1  TRP  43           HE1      TRP  43   4.998   2.956  -5.259
  325    HE3  TRP  43           HE3      TRP  43   0.334   0.770  -4.406
  326    HZ2  TRP  43           HZ2      TRP  43   3.961   3.507  -2.537
  327    HZ3  TRP  43           HZ3      TRP  43   0.175   1.605  -2.117
  328    HH2  TRP  43           HH2      TRP  43   1.984   2.977  -1.177
  329    H    THR  44           HN       THR  44   1.169  -2.661  -5.622
  330    HA   THR  44           HA       THR  44  -0.438  -3.723  -7.921
  331    HB   THR  44           HB       THR  44  -0.310  -5.951  -6.541
  332    HG1  THR  44           HG1      THR  44   1.801  -5.783  -5.373
  333   1HG2  THR  44          HG23      THR  44   1.927  -4.651  -8.089
  334   2HG2  THR  44          HG22      THR  44   2.233  -6.183  -7.277
  335   3HG2  THR  44          HG21      THR  44   0.983  -6.077  -8.513
  336    OH   TYR  45           OH       TYR  45  -8.926  -1.324  -3.088
  337    H    TYR  45           HN       TYR  45  -2.400  -4.915  -7.185
  338    HA   TYR  45           HA       TYR  45  -3.556  -3.860  -4.647
  339   1HB   TYR  45           HB2      TYR  45  -4.132  -2.455  -6.752
  340   2HB   TYR  45           HB1      TYR  45  -5.117  -3.834  -7.241
  341    HD1  TYR  45           HD1      TYR  45  -6.581  -4.726  -4.898
  342    HD2  TYR  45           HD2      TYR  45  -5.432  -0.756  -5.889
  343    HE1  TYR  45           HE1      TYR  45  -8.348  -3.857  -3.460
  344    HE2  TYR  45           HE2      TYR  45  -7.241   0.110  -4.498
  345    HH   TYR  45           HH       TYR  45  -9.034  -0.392  -3.287
  346    H    ASP  46           HN       ASP  46  -4.488  -5.476  -3.553
  347    HA   ASP  46           HA       ASP  46  -5.168  -7.984  -5.028
  348   1HB   ASP  46           HB2      ASP  46  -3.505  -7.851  -2.989
  349   2HB   ASP  46           HB1      ASP  46  -4.986  -7.835  -2.041
  350    H    ASP  47           HN       ASP  47  -7.249  -7.413  -5.707
  351    HA   ASP  47           HA       ASP  47  -9.212  -6.447  -3.753
  352   1HB   ASP  47           HB2      ASP  47  -9.401  -5.655  -6.037
  353   2HB   ASP  47           HB1      ASP  47  -9.481  -7.308  -6.644
  354    H    ALA  48           HN       ALA  48  -7.847  -9.355  -4.198
  355    HA   ALA  48           HA       ALA  48 -10.304 -10.976  -3.994
  356   1HB   ALA  48           HB2      ALA  48  -7.371 -11.733  -3.968
  357   2HB   ALA  48           HB1      ALA  48  -8.694 -12.891  -3.897
  358   3HB   ALA  48           HB3      ALA  48  -8.483 -11.884  -5.325
  359    H    THR  49           HN       THR  49  -8.198  -9.332  -1.925
  360    HA   THR  49           HA       THR  49  -9.487 -10.592   0.416
  361    HB   THR  49           HB       THR  49  -7.237 -10.971   1.531
  362    HG1  THR  49           HG1      THR  49  -6.549  -9.514  -0.528
  363   1HG2  THR  49          HG22      THR  49  -8.449 -12.796   0.107
  364   2HG2  THR  49          HG21      THR  49  -7.286 -12.381  -1.149
  365   3HG2  THR  49          HG23      THR  49  -6.726 -13.014   0.396
  366    H    LYS  50           HN       LYS  50  -8.959  -7.903  -1.105
  367    HA   LYS  50           HA       LYS  50  -8.733  -5.645  -0.497
  368   1HB   LYS  50           HB2      LYS  50  -9.588  -6.746   2.195
  369   2HB   LYS  50           HB1      LYS  50  -9.644  -5.053   1.715
  370   1HG   LYS  50           HG2      LYS  50 -11.383  -5.409   0.179
  371   2HG   LYS  50           HG1      LYS  50 -11.024  -7.123   0.016
  372   1HD   LYS  50           HD2      LYS  50 -11.797  -7.492   2.351
  373   2HD   LYS  50           HD1      LYS  50 -12.194  -5.782   2.477
  374   1HE   LYS  50           HE2      LYS  50 -14.258  -6.660   1.839
  375   2HE   LYS  50           HE1      LYS  50 -13.575  -6.262   0.269
  376   1HZ   LYS  50           HZ3      LYS  50 -13.462  -8.925   1.569
  377   2HZ   LYS  50           HZ2      LYS  50 -14.502  -8.485   0.301
  378   3HZ   LYS  50           HZ1      LYS  50 -12.824  -8.535   0.044
  379    H    THR  51           HN       THR  51  -6.366  -6.525  -0.757
  380    HA   THR  51           HA       THR  51  -4.862  -5.515   1.616
  381    HB   THR  51           HB       THR  51  -4.345  -8.163   0.175
  382    HG1  THR  51           HG1      THR  51  -4.665  -8.797   2.418
  383   1HG2  THR  51          HG23      THR  51  -2.362  -6.527   1.292
  384   2HG2  THR  51          HG22      THR  51  -2.840  -7.560   2.629
  385   3HG2  THR  51          HG21      THR  51  -2.263  -8.271   1.128
  386    H    PHE  52           HN       PHE  52  -3.704  -3.814   0.833
  387    HA   PHE  52           HA       PHE  52  -3.048  -3.612  -1.999
  388   1HB   PHE  52           HB2      PHE  52  -3.098  -1.868   0.288
  389   2HB   PHE  52           HB1      PHE  52  -1.564  -1.720  -0.555
  390    HD1  PHE  52           HD1      PHE  52  -1.546  -1.128  -3.014
  391    HD2  PHE  52           HD2      PHE  52  -5.121  -1.155  -0.740
  392    HE1  PHE  52           HE1      PHE  52  -2.695   0.148  -4.781
  393    HE2  PHE  52           HE2      PHE  52  -6.223   0.233  -2.416
  394    HZ   PHE  52           HZ       PHE  52  -4.998   0.928  -4.422
  395    H    THR  53           HN       THR  53  -0.765  -3.294  -2.715
  396    HA   THR  53           HA       THR  53   1.329  -4.290  -0.924
  397    HB   THR  53           HB       THR  53   0.504  -5.915  -3.359
  398    HG1  THR  53           HG1      THR  53   0.334  -7.419  -1.472
  399   1HG2  THR  53          HG21      THR  53   2.776  -6.181  -1.353
  400   2HG2  THR  53          HG23      THR  53   2.240  -7.503  -2.385
  401   3HG2  THR  53          HG22      THR  53   2.936  -6.053  -3.102
  402    H    VAL  54           HN       VAL  54   3.262  -3.480  -1.473
  403    HA   VAL  54           HA       VAL  54   3.628  -2.415  -4.241
  404    HB   VAL  54           HB       VAL  54   2.993  -0.578  -2.627
  405   1HG1  VAL  54          HG13      VAL  54   4.180  -1.720  -0.702
  406   2HG1  VAL  54          HG12      VAL  54   5.693  -1.145  -1.388
  407   3HG1  VAL  54          HG11      VAL  54   4.477   0.005  -0.843
  408   1HG2  VAL  54          HG21      VAL  54   5.771  -0.578  -3.839
  409   2HG2  VAL  54          HG23      VAL  54   4.296   0.064  -4.539
  410   3HG2  VAL  54          HG22      VAL  54   5.025   0.858  -3.154
  411    H    THR  55           HN       THR  55   5.818  -2.406  -4.925
  412    HA   THR  55           HA       THR  55   7.800  -3.671  -3.103
  413    HB   THR  55           HB       THR  55   7.148  -4.776  -5.871
  414    HG1  THR  55           HG1      THR  55   5.861  -6.018  -4.734
  415   1HG2  THR  55          HG21      THR  55   9.349  -5.192  -3.915
  416   2HG2  THR  55          HG23      THR  55   8.552  -6.666  -4.457
  417   3HG2  THR  55          HG22      THR  55   9.296  -5.586  -5.627
  418    H    GLU  56           HN       GLU  56   9.693  -2.607  -3.266
  419    HA   GLU  56           HA       GLU  56  10.078  -0.581  -5.316
  420   1HB   GLU  56           HB2      GLU  56  11.098  -1.022  -2.774
  421   2HB   GLU  56           HB1      GLU  56  12.475  -1.341  -3.818
  422   1HG   GLU  56           HG2      GLU  56  10.749   1.161  -3.940
  423   2HG   GLU  56           HG1      GLU  56  12.334   1.064  -3.178
   
  Start of MODEL          30
 Raw file had 423 H/Q atoms
  Entry Start of MODEL   30
    1   1H    MET   1           HT2      MET   1 -13.900   1.870   4.272
    2   2H    MET   1           HT1      MET   1 -15.265   0.924   3.911
    3   3H    MET   1           HT3      MET   1 -14.429   0.687   5.371
    4    HA   MET   1           HA       MET   1 -13.708  -1.065   4.062
    5   1HB   MET   1           HB2      MET   1 -14.482   0.588   1.936
    6   2HB   MET   1           HB1      MET   1 -12.752   0.354   1.716
    7   1HG   MET   1           HG2      MET   1 -13.109  -2.101   2.038
    8   2HG   MET   1           HG1      MET   1 -14.827  -1.811   2.103
    9   1HE   MET   1           HE2      MET   1 -16.261  -0.938   0.185
   10   2HE   MET   1           HE1      MET   1 -16.104  -1.940  -1.257
   11   3HE   MET   1           HE3      MET   1 -16.139  -2.691   0.339
   12    H    THR   2           HN       THR   2 -11.717  -1.676   4.600
   13    HA   THR   2           HA       THR   2  -9.509   0.339   4.481
   14    HB   THR   2           HB       THR   2  -9.757  -1.659   6.752
   15    HG1  THR   2           HG1      THR   2 -11.231   0.529   6.105
   16   1HG2  THR   2          HG22      THR   2  -7.641  -0.129   6.125
   17   2HG2  THR   2          HG21      THR   2  -8.616   1.115   6.901
   18   3HG2  THR   2          HG23      THR   2  -8.143  -0.322   7.802
   19    OH   TYR   3           OH       TYR   3 -11.614   0.203  -0.962
   20    H    TYR   3           HN       TYR   3  -7.873  -0.395   3.284
   21    HA   TYR   3           HA       TYR   3  -7.679  -3.330   2.794
   22   1HB   TYR   3           HB2      TYR   3  -6.106  -1.232   1.324
   23   2HB   TYR   3           HB1      TYR   3  -6.577  -2.831   0.778
   24    HD1  TYR   3           HD1      TYR   3  -7.974   0.500   1.714
   25    HD2  TYR   3           HD2      TYR   3  -8.616  -3.137  -0.387
   26    HE1  TYR   3           HE1      TYR   3 -10.013   1.433   0.721
   27    HE2  TYR   3           HE2      TYR   3 -10.650  -2.205  -1.386
   28    HH   TYR   3           HH       TYR   3 -11.603   0.002  -1.901
   29    H    LYS   4           HN       LYS   4  -5.571  -4.326   2.792
   30    HA   LYS   4           HA       LYS   4  -3.781  -3.129   4.864
   31   1HB   LYS   4           HB2      LYS   4  -4.959  -5.534   4.943
   32   2HB   LYS   4           HB1      LYS   4  -3.545  -5.981   4.002
   33   1HG   LYS   4           HG2      LYS   4  -2.292  -4.573   5.910
   34   2HG   LYS   4           HG1      LYS   4  -3.711  -5.053   6.835
   35   1HD   LYS   4           HD2      LYS   4  -3.300  -7.423   6.192
   36   2HD   LYS   4           HD1      LYS   4  -1.848  -6.921   5.334
   37   1HE   LYS   4           HE2      LYS   4  -0.771  -6.234   7.345
   38   2HE   LYS   4           HE1      LYS   4  -2.277  -6.258   8.253
   39   1HZ   LYS   4           HZ3      LYS   4  -2.253  -8.753   7.578
   40   2HZ   LYS   4           HZ2      LYS   4  -0.584  -8.494   7.403
   41   3HZ   LYS   4           HZ1      LYS   4  -1.336  -8.212   8.900
   42    H    LEU   5           HN       LEU   5  -1.900  -2.322   4.139
   43    HA   LEU   5           HA       LEU   5  -1.000  -3.006   1.419
   44   1HB   LEU   5           HB2      LEU   5  -0.889  -0.663   1.960
   45   2HB   LEU   5           HB1      LEU   5  -0.086  -0.982   3.487
   46    HG   LEU   5           HG       LEU   5   1.929  -1.830   2.160
   47   1HD1  LEU   5          HD12      LEU   5   0.394  -0.603  -0.153
   48   2HD1  LEU   5          HD11      LEU   5   2.043  -1.209  -0.222
   49   3HD1  LEU   5          HD13      LEU   5   0.711  -2.323   0.039
   50   1HD2  LEU   5          HD23      LEU   5   1.632   0.537   3.059
   51   2HD2  LEU   5          HD22      LEU   5   2.773   0.354   1.731
   52   3HD2  LEU   5          HD21      LEU   5   1.164   0.989   1.426
   53    H    ILE   6           HN       ILE   6   1.076  -3.832   0.960
   54    HA   ILE   6           HA       ILE   6   2.517  -5.105   3.210
   55    HB   ILE   6           HB       ILE   6   1.845  -6.271   0.506
   56   1HG1  ILE   6          HG12      ILE   6   1.381  -7.288   3.337
   57   2HG1  ILE   6          HG11      ILE   6   0.166  -6.452   2.380
   58   1HG2  ILE   6          HG22      ILE   6   3.874  -7.126   2.589
   59   2HG2  ILE   6          HG21      ILE   6   3.224  -8.252   1.404
   60   3HG2  ILE   6          HG23      ILE   6   4.143  -6.854   0.871
   61   1HD1  ILE   6           HD2      ILE   6   0.893  -8.373   0.601
   62   2HD1  ILE   6           HD1      ILE   6   1.211  -9.227   2.107
   63   3HD1  ILE   6           HD3      ILE   6  -0.396  -8.599   1.774
   64    H    LEU   7           HN       LEU   7   4.277  -3.819   3.350
   65    HA   LEU   7           HA       LEU   7   5.504  -2.648   0.979
   66   1HB   LEU   7           HB2      LEU   7   6.195  -2.621   3.905
   67   2HB   LEU   7           HB1      LEU   7   7.224  -1.867   2.695
   68    HG   LEU   7           HG       LEU   7   4.336  -1.210   2.506
   69   1HD1  LEU   7          HD12      LEU   7   6.083  -0.371   4.836
   70   2HD1  LEU   7          HD11      LEU   7   4.666   0.546   4.336
   71   3HD1  LEU   7          HD13      LEU   7   4.487  -1.111   4.902
   72   1HD2  LEU   7          HD22      LEU   7   6.093  -0.204   1.062
   73   2HD2  LEU   7          HD21      LEU   7   5.282   1.017   2.038
   74   3HD2  LEU   7          HD23      LEU   7   6.884   0.446   2.495
   75    H    ASN   8           HN       ASN   8   6.700  -3.865  -0.347
   76    HA   ASN   8           HA       ASN   8   8.442  -5.968   0.862
   77   1HB   ASN   8           HB2      ASN   8   6.911  -5.720  -1.617
   78   2HB   ASN   8           HB1      ASN   8   8.561  -6.230  -1.909
   79   1HD2  ASN   8          HD22      ASN   8   5.997  -8.929  -0.691
   80   2HD2  ASN   8          HD21      ASN   8   5.613  -7.492  -1.497
   81    H    GLY   9           HN       GLY   9   9.214  -3.321   1.211
   82   1HA   GLY   9           HA2      GLY   9  10.859  -2.146  -0.731
   83   2HA   GLY   9           HA1      GLY   9  11.162  -2.012   0.996
   84    H    LYS  10           HN       LYS  10  13.026  -2.325  -1.274
   85    HA   LYS  10           HA       LYS  10  14.102  -4.961  -1.392
   86   1HB   LYS  10           HB2      LYS  10  14.681  -3.090  -2.952
   87   2HB   LYS  10           HB1      LYS  10  15.616  -2.351  -1.656
   88   1HG   LYS  10           HG2      LYS  10  17.056  -4.334  -1.525
   89   2HG   LYS  10           HG1      LYS  10  16.084  -5.147  -2.747
   90   1HD   LYS  10           HD2      LYS  10  16.943  -3.879  -4.471
   91   2HD   LYS  10           HD1      LYS  10  17.149  -2.454  -3.458
   92   1HE   LYS  10           HE2      LYS  10  18.846  -4.945  -3.141
   93   2HE   LYS  10           HE1      LYS  10  19.310  -3.607  -4.184
   94   1HZ   LYS  10           HZ1      LYS  10  18.922  -2.189  -2.103
   95   2HZ   LYS  10           HZ3      LYS  10  19.037  -3.657  -1.254
   96   3HZ   LYS  10           HZ2      LYS  10  20.341  -3.118  -2.200
   97    H    THR  11           HN       THR  11  15.144  -2.168   0.542
   98    HA   THR  11           HA       THR  11  16.705  -4.014   2.273
   99    HB   THR  11           HB       THR  11  17.385  -1.584   3.218
  100    HG1  THR  11           HG1      THR  11  16.393  -0.168   1.997
  101   1HG2  THR  11          HG23      THR  11  18.271  -2.588   0.484
  102   2HG2  THR  11          HG22      THR  11  19.163  -1.466   1.506
  103   3HG2  THR  11          HG21      THR  11  18.953  -3.139   2.010
  104    H    LEU  12           HN       LEU  12  13.633  -3.091   2.184
  105    HA   LEU  12           HA       LEU  12  13.371  -3.290   5.118
  106   1HB   LEU  12           HB2      LEU  12  13.657  -0.814   4.425
  107   2HB   LEU  12           HB1      LEU  12  12.033  -0.959   3.763
  108    HG   LEU  12           HG       LEU  12  11.599  -2.072   6.182
  109   1HD1  LEU  12          HD11      LEU  12  14.106  -1.569   6.667
  110   2HD1  LEU  12          HD13      LEU  12  13.591   0.108   6.822
  111   3HD1  LEU  12          HD12      LEU  12  12.929  -1.121   7.897
  112   1HD2  LEU  12          HD23      LEU  12  11.716   0.909   5.598
  113   2HD2  LEU  12          HD22      LEU  12  10.370  -0.160   5.216
  114   3HD2  LEU  12          HD21      LEU  12  10.786   0.166   6.895
  115    H    LYS  13           HN       LYS  13  11.356  -3.993   5.791
  116    HA   LYS  13           HA       LYS  13   9.274  -4.403   3.701
  117   1HB   LYS  13           HB2      LYS  13  10.564  -6.501   5.427
  118   2HB   LYS  13           HB1      LYS  13   8.919  -6.716   4.847
  119   1HG   LYS  13           HG2      LYS  13   9.585  -6.958   2.654
  120   2HG   LYS  13           HG1      LYS  13  10.953  -5.869   2.838
  121   1HD   LYS  13           HD2      LYS  13  12.277  -7.541   3.902
  122   2HD   LYS  13           HD1      LYS  13  10.881  -8.573   4.189
  123   1HE   LYS  13           HE2      LYS  13  12.595  -8.883   2.081
  124   2HE   LYS  13           HE1      LYS  13  10.923  -9.431   2.073
  125   1HZ   LYS  13           HZ3      LYS  13  11.537  -6.666   1.301
  126   2HZ   LYS  13           HZ2      LYS  13  11.797  -7.921   0.187
  127   3HZ   LYS  13           HZ1      LYS  13  10.244  -7.658   0.823
  128    H    GLY  14           HN       GLY  14   7.236  -4.027   4.429
  129   1HA   GLY  14           HA2      GLY  14   6.636  -4.188   7.304
  130   2HA   GLY  14           HA1      GLY  14   6.589  -2.562   6.633
  131    H    GLU  15           HN       GLU  15   4.316  -2.723   7.355
  132    HA   GLU  15           HA       GLU  15   2.551  -3.168   5.152
  133   1HB   GLU  15           HB2      GLU  15   1.218  -5.040   6.314
  134   2HB   GLU  15           HB1      GLU  15   2.715  -5.509   5.517
  135   1HG   GLU  15           HG2      GLU  15   3.915  -5.427   7.661
  136   2HG   GLU  15           HG1      GLU  15   2.456  -4.872   8.478
  137    H    THR  16           HN       THR  16   0.750  -1.961   5.500
  138    HA   THR  16           HA       THR  16  -0.159  -1.477   8.276
  139    HB   THR  16           HB       THR  16   1.401   0.369   8.059
  140    HG1  THR  16           HG1      THR  16  -0.457   2.020   7.515
  141   1HG2  THR  16          HG23      THR  16   0.829   0.180   5.291
  142   2HG2  THR  16          HG22      THR  16   0.156   1.722   5.804
  143   3HG2  THR  16          HG21      THR  16   1.863   1.376   6.062
  144    H    THR  17           HN       THR  17  -2.280  -0.559   8.393
  145    HA   THR  17           HA       THR  17  -3.843  -1.008   5.881
  146    HB   THR  17           HB       THR  17  -5.658  -1.749   7.239
  147    HG1  THR  17           HG1      THR  17  -5.884  -0.929   9.260
  148   1HG2  THR  17          HG21      THR  17  -3.214  -2.952   7.708
  149   2HG2  THR  17          HG23      THR  17  -3.676  -2.449   9.330
  150   3HG2  THR  17          HG22      THR  17  -4.731  -3.512   8.404
  151    H    THR  18           HN       THR  18  -5.055   0.596   5.043
  152    HA   THR  18           HA       THR  18  -5.325   3.127   6.627
  153    HB   THR  18           HB       THR  18  -3.659   3.111   4.579
  154    HG1  THR  18           HG1      THR  18  -5.803   4.850   5.204
  155   1HG2  THR  18          HG21      THR  18  -5.686   2.129   3.131
  156   2HG2  THR  18          HG23      THR  18  -6.183   3.817   3.101
  157   3HG2  THR  18          HG22      THR  18  -4.618   3.348   2.444
  158    H    GLU  19           HN       GLU  19  -7.255   4.269   6.379
  159    HA   GLU  19           HA       GLU  19  -9.503   2.634   5.350
  160   1HB   GLU  19           HB2      GLU  19  -9.228   4.167   7.615
  161   2HB   GLU  19           HB1      GLU  19 -10.119   5.249   6.550
  162   1HG   GLU  19           HG2      GLU  19 -11.674   3.264   6.071
  163   2HG   GLU  19           HG1      GLU  19 -10.896   2.456   7.430
  164    H    ALA  20           HN       ALA  20 -10.265   2.985   3.363
  165    HA   ALA  20           HA       ALA  20 -10.257   5.763   2.287
  166   1HB   ALA  20           HB1      ALA  20  -8.829   3.398   1.187
  167   2HB   ALA  20           HB3      ALA  20  -9.657   4.433   0.027
  168   3HB   ALA  20           HB2      ALA  20  -8.418   5.106   1.082
  169    H    VAL  21           HN       VAL  21 -11.676   5.980   0.369
  170    HA   VAL  21           HA       VAL  21 -14.075   4.257   0.715
  171    HB   VAL  21           HB       VAL  21 -14.418   6.679   0.891
  172   1HG1  VAL  21          HG12      VAL  21 -12.486   7.286  -0.602
  173   2HG1  VAL  21          HG11      VAL  21 -13.449   6.776  -1.987
  174   3HG1  VAL  21          HG13      VAL  21 -13.969   8.144  -1.008
  175   1HG2  VAL  21          HG23      VAL  21 -16.133   5.136  -0.209
  176   2HG2  VAL  21          HG22      VAL  21 -16.274   6.840  -0.629
  177   3HG2  VAL  21          HG21      VAL  21 -15.529   5.714  -1.760
  178    H    ASP  22           HN       ASP  22 -11.626   5.117  -1.604
  179    HA   ASP  22           HA       ASP  22 -12.738   3.062  -3.451
  180   1HB   ASP  22           HB2      ASP  22 -12.582   4.464  -5.365
  181   2HB   ASP  22           HB1      ASP  22 -13.386   5.447  -4.144
  182    H    ALA  23           HN       ALA  23 -11.069   2.661  -5.272
  183    HA   ALA  23           HA       ALA  23  -8.580   1.935  -3.958
  184   1HB   ALA  23           HB2      ALA  23  -9.691   1.601  -6.731
  185   2HB   ALA  23           HB1      ALA  23  -8.003   1.224  -6.397
  186   3HB   ALA  23           HB3      ALA  23  -9.282   0.361  -5.549
  187    H    ALA  24           HN       ALA  24  -9.534   4.297  -6.403
  188    HA   ALA  24           HA       ALA  24  -6.998   5.215  -7.194
  189   1HB   ALA  24           HB2      ALA  24  -9.428   5.945  -7.910
  190   2HB   ALA  24           HB1      ALA  24  -9.189   7.199  -6.698
  191   3HB   ALA  24           HB3      ALA  24  -8.089   7.077  -8.068
  192    H    THR  25           HN       THR  25  -8.981   6.413  -4.492
  193    HA   THR  25           HA       THR  25  -6.974   8.249  -3.552
  194    HB   THR  25           HB       THR  25  -9.558   8.122  -2.973
  195    HG1  THR  25           HG1      THR  25  -7.482   8.627  -1.087
  196   1HG2  THR  25          HG21      THR  25  -9.058   5.801  -1.790
  197   2HG2  THR  25          HG23      THR  25  -8.409   6.820  -0.511
  198   3HG2  THR  25          HG22      THR  25 -10.097   6.969  -0.982
  199    H    ALA  26           HN       ALA  26  -7.555   4.852  -3.042
  200    HA   ALA  26           HA       ALA  26  -5.871   4.618  -0.689
  201   1HB   ALA  26           HB2      ALA  26  -7.608   2.939  -1.250
  202   2HB   ALA  26           HB1      ALA  26  -6.694   2.494  -2.687
  203   3HB   ALA  26           HB3      ALA  26  -6.019   2.197  -1.089
  204    H    GLU  27           HN       GLU  27  -5.373   4.375  -4.154
  205    HA   GLU  27           HA       GLU  27  -2.769   3.230  -4.125
  206   1HB   GLU  27           HB2      GLU  27  -4.204   5.041  -6.060
  207   2HB   GLU  27           HB1      GLU  27  -2.569   4.478  -6.365
  208   1HG   GLU  27           HG2      GLU  27  -3.363   2.121  -6.103
  209   2HG   GLU  27           HG1      GLU  27  -5.004   2.728  -5.900
  210    H    LYS  28           HN       LYS  28  -3.754   6.653  -4.251
  211    HA   LYS  28           HA       LYS  28  -1.011   7.595  -4.054
  212   1HB   LYS  28           HB2      LYS  28  -1.918   9.778  -4.101
  213   2HB   LYS  28           HB1      LYS  28  -3.007   8.821  -5.100
  214   1HG   LYS  28           HG2      LYS  28  -4.354   8.447  -2.910
  215   2HG   LYS  28           HG1      LYS  28  -3.427   9.803  -2.275
  216   1HD   LYS  28           HD2      LYS  28  -4.149  11.115  -4.337
  217   2HD   LYS  28           HD1      LYS  28  -5.257   9.795  -4.693
  218   1HE   LYS  28           HE2      LYS  28  -5.686  10.351  -1.980
  219   2HE   LYS  28           HE1      LYS  28  -5.512  11.934  -2.727
  220   1HZ   LYS  28           HZ2      LYS  28  -7.084  10.591  -4.473
  221   2HZ   LYS  28           HZ1      LYS  28  -7.629  10.018  -2.969
  222   3HZ   LYS  28           HZ3      LYS  28  -7.628  11.686  -3.294
  223    H    VAL  29           HN       VAL  29  -3.643   7.098  -1.763
  224    HA   VAL  29           HA       VAL  29  -2.501   8.482   0.451
  225    HB   VAL  29           HB       VAL  29  -4.355   6.104   0.302
  226   1HG1  VAL  29          HG13      VAL  29  -3.150   7.525   2.674
  227   2HG1  VAL  29          HG12      VAL  29  -4.755   6.810   2.788
  228   3HG1  VAL  29          HG11      VAL  29  -3.363   5.795   2.422
  229   1HG2  VAL  29          HG21      VAL  29  -4.870   8.663  -0.311
  230   2HG2  VAL  29          HG23      VAL  29  -6.055   7.664   0.524
  231   3HG2  VAL  29          HG22      VAL  29  -5.047   8.783   1.436
  232    H    PHE  30           HN       PHE  30  -2.457   4.973  -0.169
  233    HA   PHE  30           HA       PHE  30  -0.584   4.321   1.851
  234   1HB   PHE  30           HB2      PHE  30  -1.501   3.034  -0.678
  235   2HB   PHE  30           HB1      PHE  30  -0.016   2.425   0.036
  236    HD1  PHE  30           HD1      PHE  30  -0.258   2.237   2.792
  237    HD2  PHE  30           HD2      PHE  30  -3.425   1.875  -0.038
  238    HE1  PHE  30           HE1      PHE  30  -1.586   0.970   4.426
  239    HE2  PHE  30           HE2      PHE  30  -4.726   0.599   1.599
  240    HZ   PHE  30           HZ       PHE  30  -3.806   0.111   3.817
  241    H    LYS  31           HN       LYS  31  -0.109   5.530  -1.407
  242    HA   LYS  31           HA       LYS  31   2.704   5.024  -1.586
  243   1HB   LYS  31           HB2      LYS  31   1.469   5.586  -3.580
  244   2HB   LYS  31           HB1      LYS  31   0.971   7.131  -2.887
  245   1HG   LYS  31           HG2      LYS  31   3.013   8.114  -3.262
  246   2HG   LYS  31           HG1      LYS  31   3.901   6.626  -2.955
  247   1HD   LYS  31           HD2      LYS  31   3.282   5.748  -5.145
  248   2HD   LYS  31           HD1      LYS  31   2.243   7.136  -5.446
  249   1HE   LYS  31           HE2      LYS  31   4.001   8.499  -5.966
  250   2HE   LYS  31           HE1      LYS  31   5.026   7.817  -4.710
  251   1HZ   LYS  31           HZ2      LYS  31   5.017   5.765  -6.280
  252   2HZ   LYS  31           HZ1      LYS  31   4.612   6.911  -7.467
  253   3HZ   LYS  31           HZ3      LYS  31   6.055   7.074  -6.586
  254    H    GLN  32           HN       GLN  32   0.856   7.728  -0.273
  255    HA   GLN  32           HA       GLN  32   3.062   9.470   0.216
  256   1HB   GLN  32           HB2      GLN  32   0.971  10.487   0.491
  257   2HB   GLN  32           HB1      GLN  32   0.339   9.151   1.445
  258   1HG   GLN  32           HG2      GLN  32   1.519   9.813   3.382
  259   2HG   GLN  32           HG1      GLN  32   2.660  10.790   2.463
  260   1HE2  GLN  32          HE22      GLN  32   0.014  12.961   4.108
  261   2HE2  GLN  32          HE21      GLN  32   1.021  11.734   4.714
  262    OH   TYR  33           OH       TYR  33   4.793   2.551   8.345
  263    H    TYR  33           HN       TYR  33   1.781   6.730   1.970
  264    HA   TYR  33           HA       TYR  33   3.287   7.121   4.389
  265   1HB   TYR  33           HB2      TYR  33   1.350   5.598   4.282
  266   2HB   TYR  33           HB1      TYR  33   2.226   4.563   3.160
  267    HD1  TYR  33           HD1      TYR  33   4.349   3.438   3.930
  268    HD2  TYR  33           HD2      TYR  33   1.770   5.458   6.640
  269    HE1  TYR  33           HE1      TYR  33   5.412   2.276   5.805
  270    HE2  TYR  33           HE2      TYR  33   2.832   4.293   8.519
  271    HH   TYR  33           HH       TYR  33   5.592   2.131   8.020
  272    H    ALA  34           HN       ALA  34   3.801   4.800   1.749
  273    HA   ALA  34           HA       ALA  34   6.309   3.826   2.448
  274   1HB   ALA  34           HB3      ALA  34   4.943   4.313  -0.159
  275   2HB   ALA  34           HB2      ALA  34   6.657   3.914  -0.198
  276   3HB   ALA  34           HB1      ALA  34   5.512   2.801   0.542
  277    H    ASN  35           HN       ASN  35   5.514   6.950   1.097
  278    HA   ASN  35           HA       ASN  35   8.099   7.774   0.260
  279   1HB   ASN  35           HB2      ASN  35   5.894   8.991  -0.102
  280   2HB   ASN  35           HB1      ASN  35   6.048   9.582   1.551
  281   1HD2  ASN  35          HD22      ASN  35   8.715  11.821   0.794
  282   2HD2  ASN  35          HD21      ASN  35   7.925  10.984   2.041
  283    H    ASP  36           HN       ASP  36   6.566   7.841   3.433
  284    HA   ASP  36           HA       ASP  36   8.716   9.282   4.727
  285   1HB   ASP  36           HB2      ASP  36   6.252   7.871   5.559
  286   2HB   ASP  36           HB1      ASP  36   7.531   7.942   6.768
  287    H    ASN  37           HN       ASN  37   9.068   6.567   3.185
  288    HA   ASN  37           HA       ASN  37  11.038   5.494   5.147
  289   1HB   ASN  37           HB2      ASN  37   8.898   3.910   3.716
  290   2HB   ASN  37           HB1      ASN  37  10.326   3.157   4.421
  291   1HD2  ASN  37          HD22      ASN  37   7.680   4.989   6.995
  292   2HD2  ASN  37          HD21      ASN  37   7.894   5.630   5.438
  293    H    GLY  38           HN       GLY  38   9.926   5.788   1.842
  294   1HA   GLY  38           HA2      GLY  38  11.446   6.163  -0.001
  295   2HA   GLY  38           HA1      GLY  38  12.725   5.394   0.935
  296    H    VAL  39           HN       VAL  39   9.457   4.464  -0.147
  297    HA   VAL  39           HA       VAL  39  10.656   2.069  -1.465
  298    HB   VAL  39           HB       VAL  39   8.317   2.067   0.462
  299   1HG1  VAL  39          HG13      VAL  39   9.157   0.211  -1.702
  300   2HG1  VAL  39          HG12      VAL  39   8.791  -0.546  -0.155
  301   3HG1  VAL  39          HG11      VAL  39   7.572   0.430  -0.968
  302   1HG2  VAL  39          HG22      VAL  39  10.599   2.034   1.472
  303   2HG2  VAL  39          HG21      VAL  39   9.742   0.518   1.736
  304   3HG2  VAL  39          HG23      VAL  39  10.990   0.621   0.498
  305    H    ASP  40           HN       ASP  40  10.264   3.246  -3.425
  306    HA   ASP  40           HA       ASP  40   7.387   3.188  -4.249
  307   1HB   ASP  40           HB2      ASP  40   9.439   5.270  -5.045
  308   2HB   ASP  40           HB1      ASP  40   7.761   5.218  -5.576
  309    H    GLY  41           HN       GLY  41   6.977   2.291  -6.208
  310   1HA   GLY  41           HA2      GLY  41   8.718   2.108  -8.416
  311   2HA   GLY  41           HA1      GLY  41   9.004   0.667  -7.443
  312    H    GLU  42           HN       GLU  42   7.575  -0.989  -7.556
  313    HA   GLU  42           HA       GLU  42   5.368  -0.715  -9.515
  314   1HB   GLU  42           HB2      GLU  42   6.470  -3.147  -8.104
  315   2HB   GLU  42           HB1      GLU  42   5.267  -3.175  -9.385
  316   1HG   GLU  42           HG2      GLU  42   6.813  -2.439 -11.017
  317   2HG   GLU  42           HG1      GLU  42   7.935  -1.823  -9.808
  318    CH2  TRP  43           CH2      TRP  43   2.056   2.482  -2.259
  319    H    TRP  43           HN       TRP  43   3.233  -0.936  -8.983
  320    HA   TRP  43           HA       TRP  43   2.599  -1.347  -6.083
  321   1HB   TRP  43           HB2      TRP  43   1.646   0.738  -8.015
  322   2HB   TRP  43           HB1      TRP  43   0.639   0.275  -6.653
  323    HD1  TRP  43           HD1      TRP  43   4.249   1.456  -7.384
  324    HE1  TRP  43           HE1      TRP  43   4.996   2.768  -5.339
  325    HE3  TRP  43           HE3      TRP  43   0.280   0.705  -4.480
  326    HZ2  TRP  43           HZ2      TRP  43   3.978   3.339  -2.608
  327    HZ3  TRP  43           HZ3      TRP  43   0.152   1.527  -2.186
  328    HH2  TRP  43           HH2      TRP  43   1.997   2.838  -1.242
  329    H    THR  44           HN       THR  44   1.159  -2.880  -5.671
  330    HA   THR  44           HA       THR  44  -0.529  -3.884  -7.937
  331    HB   THR  44           HB       THR  44  -0.437  -6.098  -6.529
  332    HG1  THR  44           HG1      THR  44   1.892  -4.726  -5.661
  333   1HG2  THR  44          HG23      THR  44   0.886  -5.640  -8.693
  334   2HG2  THR  44          HG22      THR  44   2.205  -5.109  -7.654
  335   3HG2  THR  44          HG21      THR  44   1.637  -6.774  -7.575
  336    OH   TYR  45           OH       TYR  45  -8.926  -1.256  -3.089
  337    H    TYR  45           HN       TYR  45  -2.511  -5.031  -7.184
  338    HA   TYR  45           HA       TYR  45  -3.638  -3.941  -4.651
  339   1HB   TYR  45           HB2      TYR  45  -4.167  -2.513  -6.752
  340   2HB   TYR  45           HB1      TYR  45  -5.194  -3.861  -7.246
  341    HD1  TYR  45           HD1      TYR  45  -6.693  -4.715  -4.923
  342    HD2  TYR  45           HD2      TYR  45  -5.409  -0.780  -5.878
  343    HE1  TYR  45           HE1      TYR  45  -8.430  -3.800  -3.481
  344    HE2  TYR  45           HE2      TYR  45  -7.192   0.131  -4.484
  345    HH   TYR  45           HH       TYR  45  -9.735  -1.735  -3.280
  346    H    ASP  46           HN       ASP  46  -4.653  -5.520  -3.562
  347    HA   ASP  46           HA       ASP  46  -5.458  -7.985  -5.062
  348   1HB   ASP  46           HB2      ASP  46  -3.664  -8.033  -3.166
  349   2HB   ASP  46           HB1      ASP  46  -5.046  -7.892  -2.088
  350    H    ASP  47           HN       ASP  47  -7.544  -7.244  -5.593
  351    HA   ASP  47           HA       ASP  47  -9.354  -6.232  -3.550
  352   1HB   ASP  47           HB2      ASP  47  -9.579  -5.637  -5.953
  353   2HB   ASP  47           HB1      ASP  47  -9.977  -7.316  -6.311
  354    H    ALA  48           HN       ALA  48  -8.263  -9.305  -4.427
  355    HA   ALA  48           HA       ALA  48 -10.603 -10.883  -3.958
  356   1HB   ALA  48           HB2      ALA  48  -7.835 -11.341  -4.475
  357   2HB   ALA  48           HB1      ALA  48  -8.290 -12.301  -3.069
  358   3HB   ALA  48           HB3      ALA  48  -9.166 -12.490  -4.585
  359    H    THR  49           HN       THR  49  -8.320  -9.356  -1.811
  360    HA   THR  49           HA       THR  49 -10.016 -10.196   0.483
  361    HB   THR  49           HB       THR  49  -7.685 -10.495   1.738
  362    HG1  THR  49           HG1      THR  49  -6.873 -11.491  -0.698
  363   1HG2  THR  49          HG22      THR  49  -8.797 -12.484  -0.280
  364   2HG2  THR  49          HG21      THR  49  -7.571 -12.887   0.918
  365   3HG2  THR  49          HG23      THR  49  -9.187 -12.418   1.436
  366    H    LYS  50           HN       LYS  50  -9.223  -7.706  -1.146
  367    HA   LYS  50           HA       LYS  50  -8.820  -5.440  -0.698
  368   1HB   LYS  50           HB2      LYS  50  -9.974  -6.391   1.929
  369   2HB   LYS  50           HB1      LYS  50  -9.637  -4.697   1.591
  370   1HG   LYS  50           HG2      LYS  50 -11.310  -4.540  -0.012
  371   2HG   LYS  50           HG1      LYS  50 -11.206  -6.245  -0.438
  372   1HD   LYS  50           HD2      LYS  50 -12.114  -5.534   2.330
  373   2HD   LYS  50           HD1      LYS  50 -13.249  -5.318   1.002
  374   1HE   LYS  50           HE2      LYS  50 -13.123  -7.627   0.389
  375   2HE   LYS  50           HE1      LYS  50 -11.706  -7.893   1.397
  376   1HZ   LYS  50           HZ3      LYS  50 -14.122  -6.926   2.713
  377   2HZ   LYS  50           HZ2      LYS  50 -14.120  -8.538   2.177
  378   3HZ   LYS  50           HZ1      LYS  50 -12.936  -8.006   3.271
  379    H    THR  51           HN       THR  51  -6.524  -6.486  -0.833
  380    HA   THR  51           HA       THR  51  -5.010  -5.491   1.546
  381    HB   THR  51           HB       THR  51  -4.792  -8.208   0.211
  382    HG1  THR  51           HG1      THR  51  -6.005  -8.079   2.056
  383   1HG2  THR  51          HG21      THR  51  -2.728  -6.847   1.986
  384   2HG2  THR  51          HG23      THR  51  -2.717  -8.544   1.536
  385   3HG2  THR  51          HG22      THR  51  -2.459  -7.310   0.310
  386    H    PHE  52           HN       PHE  52  -3.742  -3.853   0.800
  387    HA   PHE  52           HA       PHE  52  -3.061  -3.669  -2.033
  388   1HB   PHE  52           HB2      PHE  52  -3.054  -1.922   0.264
  389   2HB   PHE  52           HB1      PHE  52  -1.534  -1.810  -0.611
  390    HD1  PHE  52           HD1      PHE  52  -1.551  -1.194  -3.063
  391    HD2  PHE  52           HD2      PHE  52  -5.096  -1.189  -0.743
  392    HE1  PHE  52           HE1      PHE  52  -2.706   0.121  -4.800
  393    HE2  PHE  52           HE2      PHE  52  -6.199   0.227  -2.390
  394    HZ   PHE  52           HZ       PHE  52  -4.992   0.920  -4.408
  395    H    THR  53           HN       THR  53  -0.763  -3.381  -2.712
  396    HA   THR  53           HA       THR  53   1.307  -4.415  -0.929
  397    HB   THR  53           HB       THR  53   0.445  -6.049  -3.346
  398    HG1  THR  53           HG1      THR  53  -0.560  -7.140  -1.827
  399   1HG2  THR  53          HG23      THR  53   2.889  -6.002  -1.632
  400   2HG2  THR  53          HG22      THR  53   2.161  -7.585  -1.884
  401   3HG2  THR  53          HG21      THR  53   2.697  -6.632  -3.265
  402    H    VAL  54           HN       VAL  54   3.259  -3.623  -1.504
  403    HA   VAL  54           HA       VAL  54   3.581  -2.584  -4.290
  404    HB   VAL  54           HB       VAL  54   2.993  -0.735  -2.671
  405   1HG1  VAL  54          HG12      VAL  54   4.243  -1.870  -0.776
  406   2HG1  VAL  54          HG11      VAL  54   5.732  -1.293  -1.515
  407   3HG1  VAL  54          HG13      VAL  54   4.529  -0.145  -0.939
  408   1HG2  VAL  54          HG23      VAL  54   5.723  -0.765  -3.983
  409   2HG2  VAL  54          HG22      VAL  54   4.228  -0.111  -4.629
  410   3HG2  VAL  54          HG21      VAL  54   5.021   0.682  -3.278
  411    H    THR  55           HN       THR  55   5.719  -2.624  -5.041
  412    HA   THR  55           HA       THR  55   7.738  -3.913  -3.274
  413    HB   THR  55           HB       THR  55   7.327  -4.882  -6.118
  414    HG1  THR  55           HG1      THR  55   5.500  -5.633  -5.362
  415   1HG2  THR  55          HG22      THR  55   9.172  -5.516  -4.045
  416   2HG2  THR  55          HG21      THR  55   7.993  -6.825  -4.067
  417   3HG2  THR  55          HG23      THR  55   8.896  -6.429  -5.520
  418    H    GLU  56           HN       GLU  56   9.396  -2.506  -3.282
  419    HA   GLU  56           HA       GLU  56   9.837  -0.502  -5.259
  420   1HB   GLU  56           HB2      GLU  56  10.889  -1.050  -2.793
  421   2HB   GLU  56           HB1      GLU  56  12.241  -1.452  -3.844
  422   1HG   GLU  56           HG2      GLU  56  11.795   0.801  -5.010
  423   2HG   GLU  56           HG1      GLU  56  10.763   1.182  -3.633
   
  Start of MODEL          31
 Raw file had 423 H/Q atoms
  Entry Start of MODEL   31
    1   1H    MET   1           HT2      MET   1 -13.369   2.429   4.174
    2   2H    MET   1           HT1      MET   1 -14.740   1.876   3.338
    3   3H    MET   1           HT3      MET   1 -14.481   1.404   4.948
    4    HA   MET   1           HA       MET   1 -13.631  -0.445   4.061
    5   1HB   MET   1           HB2      MET   1 -12.860   1.071   1.558
    6   2HB   MET   1           HB1      MET   1 -12.966  -0.674   1.757
    7   1HG   MET   1           HG2      MET   1 -15.449   0.325   2.591
    8   2HG   MET   1           HG1      MET   1 -15.057   1.251   1.168
    9   1HE   MET   1           HE1      MET   1 -15.911  -2.120   2.725
   10   2HE   MET   1           HE3      MET   1 -17.286  -1.130   2.235
   11   3HE   MET   1           HE2      MET   1 -17.004  -2.691   1.466
   12    H    THR   2           HN       THR   2 -11.703  -1.247   4.642
   13    HA   THR   2           HA       THR   2  -9.316   0.560   4.500
   14    HB   THR   2           HB       THR   2  -9.782  -1.396   6.776
   15    HG1  THR   2           HG1      THR   2 -11.123   0.054   7.549
   16   1HG2  THR   2          HG22      THR   2  -7.518  -0.080   6.167
   17   2HG2  THR   2          HG21      THR   2  -8.379   1.250   6.937
   18   3HG2  THR   2          HG23      THR   2  -8.055  -0.227   7.837
   19    OH   TYR   3           OH       TYR   3 -11.592   0.166  -1.016
   20    H    TYR   3           HN       TYR   3  -7.761  -0.307   3.292
   21    HA   TYR   3           HA       TYR   3  -7.773  -3.258   2.859
   22   1HB   TYR   3           HB2      TYR   3  -6.108  -1.259   1.340
   23   2HB   TYR   3           HB1      TYR   3  -6.596  -2.870   0.840
   24    HD1  TYR   3           HD1      TYR   3  -7.975   0.498   1.688
   25    HD2  TYR   3           HD2      TYR   3  -8.612  -3.172  -0.353
   26    HE1  TYR   3           HE1      TYR   3 -10.000   1.421   0.655
   27    HE2  TYR   3           HE2      TYR   3 -10.634  -2.252  -1.388
   28    HH   TYR   3           HH       TYR   3 -11.664  -0.194  -1.902
   29    H    LYS   4           HN       LYS   4  -5.614  -4.303   2.704
   30    HA   LYS   4           HA       LYS   4  -3.839  -3.274   4.876
   31   1HB   LYS   4           HB2      LYS   4  -5.044  -5.618   4.912
   32   2HB   LYS   4           HB1      LYS   4  -3.785  -6.089   3.795
   33   1HG   LYS   4           HG2      LYS   4  -2.345  -6.382   5.503
   34   2HG   LYS   4           HG1      LYS   4  -2.532  -4.707   5.987
   35   1HD   LYS   4           HD2      LYS   4  -3.190  -6.146   7.846
   36   2HD   LYS   4           HD1      LYS   4  -4.622  -5.341   7.218
   37   1HE   LYS   4           HE2      LYS   4  -5.574  -7.332   6.765
   38   2HE   LYS   4           HE1      LYS   4  -4.218  -7.765   5.732
   39   1HZ   LYS   4           HZ2      LYS   4  -3.596  -7.944   8.521
   40   2HZ   LYS   4           HZ1      LYS   4  -4.879  -8.961   8.072
   41   3HZ   LYS   4           HZ3      LYS   4  -3.380  -9.087   7.284
   42    H    LEU   5           HN       LEU   5  -1.912  -2.473   4.218
   43    HA   LEU   5           HA       LEU   5  -1.006  -3.071   1.472
   44   1HB   LEU   5           HB2      LEU   5  -0.869  -0.751   2.095
   45   2HB   LEU   5           HB1      LEU   5  -0.069  -1.128   3.611
   46    HG   LEU   5           HG       LEU   5   1.929  -1.962   2.249
   47   1HD1  LEU   5          HD11      LEU   5   0.368  -0.667  -0.009
   48   2HD1  LEU   5          HD13      LEU   5   2.031  -1.228  -0.116
   49   3HD1  LEU   5          HD12      LEU   5   0.730  -2.383   0.122
   50   1HD2  LEU   5          HD22      LEU   5   1.665   0.383   3.224
   51   2HD2  LEU   5          HD21      LEU   5   2.801   0.226   1.889
   52   3HD2  LEU   5          HD23      LEU   5   1.199   0.891   1.605
   53    H    ILE   6           HN       ILE   6   1.060  -3.924   1.007
   54    HA   ILE   6           HA       ILE   6   2.474  -5.264   3.235
   55    HB   ILE   6           HB       ILE   6   2.086  -6.441   0.474
   56   1HG1  ILE   6          HG12      ILE   6   0.609  -6.900   3.083
   57   2HG1  ILE   6          HG11      ILE   6  -0.077  -6.433   1.532
   58   1HG2  ILE   6          HG21      ILE   6   4.117  -7.070   1.955
   59   2HG2  ILE   6          HG23      ILE   6   2.943  -7.837   3.017
   60   3HG2  ILE   6          HG22      ILE   6   3.124  -8.392   1.356
   61   1HD1  ILE   6           HD3      ILE   6   0.906  -8.656   0.637
   62   2HD1  ILE   6           HD2      ILE   6   1.091  -9.106   2.329
   63   3HD1  ILE   6           HD1      ILE   6  -0.506  -8.766   1.680
   64    H    LEU   7           HN       LEU   7   4.249  -3.998   3.381
   65    HA   LEU   7           HA       LEU   7   5.516  -2.853   1.015
   66   1HB   LEU   7           HB2      LEU   7   6.229  -2.865   3.942
   67   2HB   LEU   7           HB1      LEU   7   7.248  -2.106   2.725
   68    HG   LEU   7           HG       LEU   7   4.413  -1.378   2.468
   69   1HD1  LEU   7          HD13      LEU   7   5.958  -0.616   4.971
   70   2HD1  LEU   7          HD12      LEU   7   4.443   0.123   4.462
   71   3HD1  LEU   7          HD11      LEU   7   4.483  -1.577   4.918
   72   1HD2  LEU   7          HD23      LEU   7   6.317  -0.283   1.290
   73   2HD2  LEU   7          HD22      LEU   7   5.413   0.864   2.274
   74   3HD2  LEU   7          HD21      LEU   7   6.957   0.240   2.845
   75    H    ASN   8           HN       ASN   8   6.757  -4.007  -0.297
   76    HA   ASN   8           HA       ASN   8   8.403  -6.208   0.874
   77   1HB   ASN   8           HB2      ASN   8   6.800  -5.929  -1.534
   78   2HB   ASN   8           HB1      ASN   8   8.436  -6.410  -1.926
   79   1HD2  ASN   8          HD22      ASN   8   6.026  -9.221  -0.763
   80   2HD2  ASN   8          HD21      ASN   8   5.623  -7.806  -1.597
   81    H    GLY   9           HN       GLY   9   9.202  -3.526   1.144
   82   1HA   GLY   9           HA2      GLY   9  10.913  -2.500  -0.839
   83   2HA   GLY   9           HA1      GLY   9  11.151  -2.235   0.882
   84    H    LYS  10           HN       LYS  10  13.088  -2.754  -1.316
   85    HA   LYS  10           HA       LYS  10  14.157  -5.383  -1.169
   86   1HB   LYS  10           HB2      LYS  10  14.834  -3.541  -2.782
   87   2HB   LYS  10           HB1      LYS  10  15.789  -2.854  -1.473
   88   1HG   LYS  10           HG2      LYS  10  17.018  -5.008  -1.261
   89   2HG   LYS  10           HG1      LYS  10  16.088  -5.655  -2.608
   90   1HD   LYS  10           HD2      LYS  10  17.064  -4.140  -4.156
   91   2HD   LYS  10           HD1      LYS  10  17.660  -3.088  -2.877
   92   1HE   LYS  10           HE2      LYS  10  19.415  -4.587  -3.969
   93   2HE   LYS  10           HE1      LYS  10  19.325  -4.684  -2.215
   94   1HZ   LYS  10           HZ1      LYS  10  17.641  -6.520  -3.718
   95   2HZ   LYS  10           HZ3      LYS  10  19.314  -6.811  -3.761
   96   3HZ   LYS  10           HZ2      LYS  10  18.497  -6.762  -2.272
   97    H    THR  11           HN       THR  11  15.320  -2.479   0.529
   98    HA   THR  11           HA       THR  11  16.617  -4.236   2.534
   99    HB   THR  11           HB       THR  11  17.387  -1.773   3.310
  100    HG1  THR  11           HG1      THR  11  15.783  -1.225   1.457
  101   1HG2  THR  11          HG22      THR  11  18.359  -3.050   0.723
  102   2HG2  THR  11          HG21      THR  11  19.259  -1.894   1.700
  103   3HG2  THR  11          HG23      THR  11  18.926  -3.506   2.326
  104    H    LEU  12           HN       LEU  12  13.630  -3.229   2.159
  105    HA   LEU  12           HA       LEU  12  13.184  -3.000   5.080
  106   1HB   LEU  12           HB2      LEU  12  13.414  -0.672   4.028
  107   2HB   LEU  12           HB1      LEU  12  11.894  -1.014   3.209
  108    HG   LEU  12           HG       LEU  12  11.203  -1.733   5.721
  109   1HD1  LEU  12          HD12      LEU  12  13.593  -1.004   6.413
  110   2HD1  LEU  12          HD11      LEU  12  13.017   0.643   6.175
  111   3HD1  LEU  12          HD13      LEU  12  12.253  -0.392   7.378
  112   1HD2  LEU  12          HD21      LEU  12  11.248   1.078   4.571
  113   2HD2  LEU  12          HD23      LEU  12   9.983  -0.125   4.341
  114   3HD2  LEU  12          HD22      LEU  12  10.250   0.577   5.933
  115    H    LYS  13           HN       LYS  13  11.175  -3.739   5.738
  116    HA   LYS  13           HA       LYS  13   9.158  -4.428   3.694
  117   1HB   LYS  13           HB2      LYS  13  10.562  -6.483   5.414
  118   2HB   LYS  13           HB1      LYS  13   9.033  -6.796   4.604
  119   1HG   LYS  13           HG2      LYS  13  10.164  -6.112   2.431
  120   2HG   LYS  13           HG1      LYS  13  11.687  -6.095   3.313
  121   1HD   LYS  13           HD2      LYS  13  11.359  -8.462   3.940
  122   2HD   LYS  13           HD1      LYS  13   9.823  -8.481   3.081
  123   1HE   LYS  13           HE2      LYS  13  12.124  -7.502   1.494
  124   2HE   LYS  13           HE1      LYS  13  12.210  -9.198   1.951
  125   1HZ   LYS  13           HZ1      LYS  13   9.799  -9.271   1.122
  126   2HZ   LYS  13           HZ3      LYS  13  10.184  -7.825   0.318
  127   3HZ   LYS  13           HZ2      LYS  13  11.054  -9.243  -0.021
  128    H    GLY  14           HN       GLY  14   7.100  -4.431   4.508
  129   1HA   GLY  14           HA2      GLY  14   6.515  -4.790   7.316
  130   2HA   GLY  14           HA1      GLY  14   6.501  -3.084   6.885
  131    H    GLU  15           HN       GLU  15   4.233  -3.157   7.462
  132    HA   GLU  15           HA       GLU  15   2.507  -3.391   5.198
  133   1HB   GLU  15           HB2      GLU  15   1.070  -5.265   6.079
  134   2HB   GLU  15           HB1      GLU  15   2.653  -5.786   5.517
  135   1HG   GLU  15           HG2      GLU  15   2.900  -5.036   8.274
  136   2HG   GLU  15           HG1      GLU  15   1.518  -6.115   8.122
  137    H    THR  16           HN       THR  16   0.728  -2.162   5.566
  138    HA   THR  16           HA       THR  16  -0.205  -1.754   8.344
  139    HB   THR  16           HB       THR  16   1.428   0.047   8.198
  140    HG1  THR  16           HG1      THR  16  -1.245   0.792   7.569
  141   1HG2  THR  16          HG21      THR  16   0.889  -0.021   5.435
  142   2HG2  THR  16          HG23      THR  16   0.180   1.493   5.984
  143   3HG2  THR  16          HG22      THR  16   1.890   1.169   6.259
  144    H    THR  17           HN       THR  17  -2.303  -0.835   8.473
  145    HA   THR  17           HA       THR  17  -3.835  -1.110   5.925
  146    HB   THR  17           HB       THR  17  -5.697  -1.814   7.235
  147    HG1  THR  17           HG1      THR  17  -5.470   0.058   8.601
  148   1HG2  THR  17          HG21      THR  17  -3.536  -3.297   7.574
  149   2HG2  THR  17          HG23      THR  17  -3.509  -2.566   9.176
  150   3HG2  THR  17          HG22      THR  17  -4.896  -3.524   8.669
  151    H    THR  18           HN       THR  18  -5.032   0.553   5.147
  152    HA   THR  18           HA       THR  18  -5.209   3.040   6.804
  153    HB   THR  18           HB       THR  18  -3.431   3.037   4.855
  154    HG1  THR  18           HG1      THR  18  -5.540   4.944   5.044
  155   1HG2  THR  18          HG22      THR  18  -5.419   2.217   3.253
  156   2HG2  THR  18          HG21      THR  18  -5.823   3.931   3.267
  157   3HG2  THR  18          HG23      THR  18  -4.248   3.401   2.683
  158    H    GLU  19           HN       GLU  19  -7.025   4.359   6.397
  159    HA   GLU  19           HA       GLU  19  -9.345   2.849   5.378
  160   1HB   GLU  19           HB2      GLU  19  -9.041   5.471   6.845
  161   2HB   GLU  19           HB1      GLU  19 -10.591   4.924   6.216
  162   1HG   GLU  19           HG2      GLU  19 -10.511   2.916   7.570
  163   2HG   GLU  19           HG1      GLU  19  -8.852   3.254   8.060
  164    H    ALA  20           HN       ALA  20 -10.122   3.096   3.385
  165    HA   ALA  20           HA       ALA  20  -9.713   5.688   1.977
  166   1HB   ALA  20           HB3      ALA  20  -8.508   3.107   1.292
  167   2HB   ALA  20           HB2      ALA  20  -9.399   3.828  -0.044
  168   3HB   ALA  20           HB1      ALA  20  -8.092   4.720   0.727
  169    H    VAL  21           HN       VAL  21 -11.475   6.330   0.867
  170    HA   VAL  21           HA       VAL  21 -13.893   4.701   1.035
  171    HB   VAL  21           HB       VAL  21 -14.100   7.096   1.338
  172   1HG1  VAL  21          HG11      VAL  21 -12.918   7.274  -1.457
  173   2HG1  VAL  21          HG13      VAL  21 -13.564   8.639  -0.550
  174   3HG1  VAL  21          HG12      VAL  21 -12.135   7.792   0.033
  175   1HG2  VAL  21          HG22      VAL  21 -15.777   5.649  -0.149
  176   2HG2  VAL  21          HG21      VAL  21 -15.997   7.387   0.026
  177   3HG2  VAL  21          HG23      VAL  21 -15.225   6.738  -1.418
  178    H    ASP  22           HN       ASP  22 -11.353   4.966  -1.167
  179    HA   ASP  22           HA       ASP  22 -12.783   3.263  -3.086
  180   1HB   ASP  22           HB2      ASP  22 -12.557   4.705  -4.990
  181   2HB   ASP  22           HB1      ASP  22 -13.310   5.669  -3.723
  182    H    ALA  23           HN       ALA  23 -11.262   2.699  -4.959
  183    HA   ALA  23           HA       ALA  23  -8.746   1.815  -3.808
  184   1HB   ALA  23           HB3      ALA  23 -10.040   1.589  -6.513
  185   2HB   ALA  23           HB2      ALA  23  -8.361   1.110  -6.292
  186   3HB   ALA  23           HB1      ALA  23  -9.633   0.309  -5.374
  187    H    ALA  24           HN       ALA  24  -9.749   4.406  -5.932
  188    HA   ALA  24           HA       ALA  24  -7.183   5.145  -6.940
  189   1HB   ALA  24           HB2      ALA  24  -9.739   6.046  -7.312
  190   2HB   ALA  24           HB1      ALA  24  -9.040   7.365  -6.379
  191   3HB   ALA  24           HB3      ALA  24  -8.302   6.877  -7.900
  192    H    THR  25           HN       THR  25  -9.016   6.603  -4.250
  193    HA   THR  25           HA       THR  25  -6.871   8.244  -3.337
  194    HB   THR  25           HB       THR  25  -9.369   8.387  -2.654
  195    HG1  THR  25           HG1      THR  25  -8.494   8.910  -0.419
  196   1HG2  THR  25          HG22      THR  25  -9.041   5.856  -1.693
  197   2HG2  THR  25          HG21      THR  25  -8.572   6.781  -0.271
  198   3HG2  THR  25          HG23      THR  25 -10.171   6.999  -0.975
  199    H    ALA  26           HN       ALA  26  -7.555   4.870  -2.893
  200    HA   ALA  26           HA       ALA  26  -5.883   4.486  -0.563
  201   1HB   ALA  26           HB3      ALA  26  -7.634   2.863  -1.289
  202   2HB   ALA  26           HB2      ALA  26  -6.646   2.468  -2.692
  203   3HB   ALA  26           HB1      ALA  26  -6.061   2.104  -1.071
  204    H    GLU  27           HN       GLU  27  -5.352   4.384  -4.036
  205    HA   GLU  27           HA       GLU  27  -2.708   3.305  -3.984
  206   1HB   GLU  27           HB2      GLU  27  -4.187   5.066  -5.937
  207   2HB   GLU  27           HB1      GLU  27  -2.529   4.564  -6.221
  208   1HG   GLU  27           HG2      GLU  27  -3.268   2.170  -5.942
  209   2HG   GLU  27           HG1      GLU  27  -4.929   2.748  -5.842
  210    H    LYS  28           HN       LYS  28  -3.956   6.579  -3.665
  211    HA   LYS  28           HA       LYS  28  -1.259   7.741  -3.619
  212   1HB   LYS  28           HB2      LYS  28  -3.755   9.185  -2.764
  213   2HB   LYS  28           HB1      LYS  28  -2.318   9.836  -3.544
  214   1HG   LYS  28           HG2      LYS  28  -2.894   8.487  -5.590
  215   2HG   LYS  28           HG1      LYS  28  -4.399   8.023  -4.805
  216   1HD   LYS  28           HD2      LYS  28  -5.077  10.372  -4.640
  217   2HD   LYS  28           HD1      LYS  28  -3.541  10.888  -5.323
  218   1HE   LYS  28           HE2      LYS  28  -4.650   8.931  -7.082
  219   2HE   LYS  28           HE1      LYS  28  -5.919  10.090  -6.713
  220   1HZ   LYS  28           HZ2      LYS  28  -4.091  11.818  -7.180
  221   2HZ   LYS  28           HZ1      LYS  28  -3.310  10.546  -7.991
  222   3HZ   LYS  28           HZ3      LYS  28  -4.855  11.049  -8.489
  223    H    VAL  29           HN       VAL  29  -3.854   7.076  -1.313
  224    HA   VAL  29           HA       VAL  29  -2.744   8.295   0.975
  225    HB   VAL  29           HB       VAL  29  -4.396   5.775   0.708
  226   1HG1  VAL  29          HG13      VAL  29  -3.432   7.303   3.134
  227   2HG1  VAL  29          HG12      VAL  29  -4.902   6.333   3.183
  228   3HG1  VAL  29          HG11      VAL  29  -3.353   5.569   2.838
  229   1HG2  VAL  29          HG23      VAL  29  -5.069   8.388   0.216
  230   2HG2  VAL  29          HG22      VAL  29  -6.212   7.163   0.758
  231   3HG2  VAL  29          HG21      VAL  29  -5.467   8.251   1.925
  232    H    PHE  30           HN       PHE  30  -2.436   4.878   0.013
  233    HA   PHE  30           HA       PHE  30  -0.467   4.256   1.990
  234   1HB   PHE  30           HB2      PHE  30  -1.375   2.972  -0.563
  235   2HB   PHE  30           HB1      PHE  30   0.101   2.388   0.194
  236    HD1  PHE  30           HD1      PHE  30  -0.215   2.184   2.943
  237    HD2  PHE  30           HD2      PHE  30  -3.299   1.785   0.025
  238    HE1  PHE  30           HE1      PHE  30  -1.571   0.901   4.540
  239    HE2  PHE  30           HE2      PHE  30  -4.624   0.486   1.622
  240    HZ   PHE  30           HZ       PHE  30  -3.760   0.006   3.865
  241    H    LYS  31           HN       LYS  31  -0.157   5.231  -1.411
  242    HA   LYS  31           HA       LYS  31   2.664   5.032  -1.604
  243   1HB   LYS  31           HB2      LYS  31   1.188   5.490  -3.539
  244   2HB   LYS  31           HB1      LYS  31   0.869   7.098  -2.898
  245   1HG   LYS  31           HG2      LYS  31   3.120   7.794  -3.213
  246   2HG   LYS  31           HG1      LYS  31   3.688   6.139  -3.409
  247   1HD   LYS  31           HD2      LYS  31   2.760   5.947  -5.572
  248   2HD   LYS  31           HD1      LYS  31   1.663   7.302  -5.321
  249   1HE   LYS  31           HE2      LYS  31   3.274   8.866  -5.801
  250   2HE   LYS  31           HE1      LYS  31   4.560   7.916  -5.069
  251   1HZ   LYS  31           HZ2      LYS  31   3.399   6.769  -7.455
  252   2HZ   LYS  31           HZ1      LYS  31   4.231   8.230  -7.696
  253   3HZ   LYS  31           HZ3      LYS  31   5.028   6.907  -6.991
  254    H    GLN  32           HN       GLN  32   0.620   7.564  -0.280
  255    HA   GLN  32           HA       GLN  32   2.630   9.541   0.117
  256   1HB   GLN  32           HB2      GLN  32   0.115   9.808   0.429
  257   2HB   GLN  32           HB1      GLN  32   0.311   9.011   1.985
  258   1HG   GLN  32           HG2      GLN  32   2.291  10.871   2.153
  259   2HG   GLN  32           HG1      GLN  32   1.137  11.737   1.141
  260   1HE2  GLN  32          HE22      GLN  32   0.259  11.001   5.058
  261   2HE2  GLN  32          HE21      GLN  32   1.637  10.319   4.340
  262    OH   TYR  33           OH       TYR  33   5.243   3.079   8.398
  263    H    TYR  33           HN       TYR  33   1.732   6.685   1.921
  264    HA   TYR  33           HA       TYR  33   3.375   7.274   4.236
  265   1HB   TYR  33           HB2      TYR  33   1.467   5.694   4.329
  266   2HB   TYR  33           HB1      TYR  33   2.326   4.614   3.236
  267    HD1  TYR  33           HD1      TYR  33   4.506   3.599   3.964
  268    HD2  TYR  33           HD2      TYR  33   2.041   5.770   6.664
  269    HE1  TYR  33           HE1      TYR  33   5.712   2.614   5.853
  270    HE2  TYR  33           HE2      TYR  33   3.249   4.785   8.557
  271    HH   TYR  33           HH       TYR  33   5.866   2.438   8.051
  272    H    ALA  34           HN       ALA  34   3.740   4.759   1.752
  273    HA   ALA  34           HA       ALA  34   6.370   4.000   2.321
  274   1HB   ALA  34           HB3      ALA  34   4.543   3.712   0.112
  275   2HB   ALA  34           HB2      ALA  34   6.168   4.003  -0.499
  276   3HB   ALA  34           HB1      ALA  34   5.865   2.654   0.591
  277    H    ASN  35           HN       ASN  35   5.265   6.993   1.140
  278    HA   ASN  35           HA       ASN  35   7.684   7.775  -0.266
  279   1HB   ASN  35           HB2      ASN  35   5.360   8.792  -0.560
  280   2HB   ASN  35           HB1      ASN  35   5.645   9.639   0.958
  281   1HD2  ASN  35          HD22      ASN  35   6.848  12.029  -1.515
  282   2HD2  ASN  35          HD21      ASN  35   5.386  11.473  -0.856
  283    H    ASP  36           HN       ASP  36   6.363   8.388   2.961
  284    HA   ASP  36           HA       ASP  36   8.588  10.007   3.831
  285   1HB   ASP  36           HB2      ASP  36   6.216   8.739   5.085
  286   2HB   ASP  36           HB1      ASP  36   7.575   9.067   6.158
  287    H    ASN  37           HN       ASN  37   8.477   6.826   3.018
  288    HA   ASN  37           HA       ASN  37  10.603   6.066   4.989
  289   1HB   ASN  37           HB2      ASN  37   8.755   4.279   3.386
  290   2HB   ASN  37           HB1      ASN  37   9.975   3.727   4.530
  291   1HD2  ASN  37          HD22      ASN  37   6.430   5.207   5.889
  292   2HD2  ASN  37          HD21      ASN  37   6.813   5.253   4.236
  293    H    GLY  38           HN       GLY  38   9.624   5.929   1.605
  294   1HA   GLY  38           HA2      GLY  38  11.266   6.382  -0.162
  295   2HA   GLY  38           HA1      GLY  38  12.506   5.672   0.866
  296    H    VAL  39           HN       VAL  39   9.316   4.635  -0.348
  297    HA   VAL  39           HA       VAL  39  10.632   2.244  -1.547
  298    HB   VAL  39           HB       VAL  39   8.208   2.175   0.272
  299   1HG1  VAL  39          HG12      VAL  39   9.225   0.357  -1.805
  300   2HG1  VAL  39          HG11      VAL  39   9.027  -0.424  -0.241
  301   3HG1  VAL  39          HG13      VAL  39   7.656   0.373  -1.006
  302   1HG2  VAL  39          HG23      VAL  39  10.995   0.988   0.537
  303   2HG2  VAL  39          HG22      VAL  39  10.375   2.355   1.458
  304   3HG2  VAL  39          HG21      VAL  39   9.675   0.755   1.680
  305    H    ASP  40           HN       ASP  40  10.176   3.780  -3.397
  306    HA   ASP  40           HA       ASP  40   7.347   3.486  -4.344
  307   1HB   ASP  40           HB2      ASP  40   9.384   5.514  -5.287
  308   2HB   ASP  40           HB1      ASP  40   7.659   5.490  -5.643
  309    H    GLY  41           HN       GLY  41   7.030   2.203  -6.049
  310   1HA   GLY  41           HA2      GLY  41   8.822   2.050  -8.295
  311   2HA   GLY  41           HA1      GLY  41   9.037   0.641  -7.259
  312    H    GLU  42           HN       GLU  42   7.585  -0.990  -7.377
  313    HA   GLU  42           HA       GLU  42   5.383  -0.680  -9.358
  314   1HB   GLU  42           HB2      GLU  42   6.373  -3.225  -8.080
  315   2HB   GLU  42           HB1      GLU  42   5.402  -3.070  -9.538
  316   1HG   GLU  42           HG2      GLU  42   7.303  -1.833 -10.614
  317   2HG   GLU  42           HG1      GLU  42   8.275  -2.145  -9.178
  318    CH2  TRP  43           CH2      TRP  43   2.111   2.447  -2.101
  319    H    TRP  43           HN       TRP  43   3.270  -0.931  -8.801
  320    HA   TRP  43           HA       TRP  43   2.683  -1.486  -5.913
  321   1HB   TRP  43           HB2      TRP  43   1.596   0.589  -7.795
  322   2HB   TRP  43           HB1      TRP  43   0.669   0.077  -6.396
  323    HD1  TRP  43           HD1      TRP  43   4.216   1.361  -7.247
  324    HE1  TRP  43           HE1      TRP  43   4.977   2.729  -5.245
  325    HE3  TRP  43           HE3      TRP  43   0.342   0.556  -4.235
  326    HZ2  TRP  43           HZ2      TRP  43   4.004   3.340  -2.512
  327    HZ3  TRP  43           HZ3      TRP  43   0.234   1.447  -1.963
  328    HH2  TRP  43           HH2      TRP  43   2.062   2.834  -1.094
  329    H    THR  44           HN       THR  44   1.287  -3.079  -5.532
  330    HA   THR  44           HA       THR  44  -0.400  -4.068  -7.804
  331    HB   THR  44           HB       THR  44  -0.190  -6.332  -6.494
  332    HG1  THR  44           HG1      THR  44   1.968  -4.728  -5.544
  333   1HG2  THR  44          HG23      THR  44   2.030  -4.947  -8.014
  334   2HG2  THR  44          HG22      THR  44   2.287  -6.553  -7.341
  335   3HG2  THR  44          HG21      THR  44   1.028  -6.294  -8.544
  336    OH   TYR  45           OH       TYR  45  -8.955  -1.357  -3.117
  337    H    TYR  45           HN       TYR  45  -2.499  -4.568  -7.408
  338    HA   TYR  45           HA       TYR  45  -3.580  -3.881  -4.694
  339   1HB   TYR  45           HB2      TYR  45  -4.149  -2.437  -6.776
  340   2HB   TYR  45           HB1      TYR  45  -5.137  -3.806  -7.291
  341    HD1  TYR  45           HD1      TYR  45  -6.612  -4.731  -4.980
  342    HD2  TYR  45           HD2      TYR  45  -5.442  -0.750  -5.886
  343    HE1  TYR  45           HE1      TYR  45  -8.384  -3.883  -3.538
  344    HE2  TYR  45           HE2      TYR  45  -7.254   0.100  -4.485
  345    HH   TYR  45           HH       TYR  45  -9.790  -1.563  -3.546
  346    H    ASP  46           HN       ASP  46  -4.552  -5.516  -3.631
  347    HA   ASP  46           HA       ASP  46  -5.202  -8.001  -5.162
  348   1HB   ASP  46           HB2      ASP  46  -3.552  -7.943  -3.131
  349   2HB   ASP  46           HB1      ASP  46  -5.022  -7.883  -2.163
  350    H    ASP  47           HN       ASP  47  -7.243  -7.054  -5.848
  351    HA   ASP  47           HA       ASP  47  -9.248  -6.233  -3.944
  352   1HB   ASP  47           HB2      ASP  47  -9.554  -5.468  -6.169
  353   2HB   ASP  47           HB1      ASP  47  -9.348  -7.084  -6.839
  354    H    ALA  48           HN       ALA  48  -7.930  -9.221  -4.559
  355    HA   ALA  48           HA       ALA  48 -10.292 -10.882  -4.371
  356   1HB   ALA  48           HB2      ALA  48  -7.940 -11.516  -5.236
  357   2HB   ALA  48           HB1      ALA  48  -7.529 -11.742  -3.538
  358   3HB   ALA  48           HB3      ALA  48  -8.804 -12.711  -4.272
  359    H    THR  49           HN       THR  49  -8.233  -9.299  -2.063
  360    HA   THR  49           HA       THR  49 -10.026 -10.242   0.102
  361    HB   THR  49           HB       THR  49  -7.777 -10.568   1.492
  362    HG1  THR  49           HG1      THR  49  -6.630 -11.586  -0.684
  363   1HG2  THR  49          HG23      THR  49  -8.656 -12.530  -0.665
  364   2HG2  THR  49          HG22      THR  49  -7.630 -12.935   0.708
  365   3HG2  THR  49          HG21      THR  49  -9.307 -12.464   0.970
  366    H    LYS  50           HN       LYS  50  -9.242  -7.685  -1.373
  367    HA   LYS  50           HA       LYS  50  -8.888  -5.431  -0.822
  368   1HB   LYS  50           HB2      LYS  50 -10.047  -6.505   1.758
  369   2HB   LYS  50           HB1      LYS  50  -9.767  -4.792   1.467
  370   1HG   LYS  50           HG2      LYS  50 -11.186  -4.963  -0.596
  371   2HG   LYS  50           HG1      LYS  50 -11.542  -6.633  -0.170
  372   1HD   LYS  50           HD2      LYS  50 -13.339  -5.616   0.867
  373   2HD   LYS  50           HD1      LYS  50 -12.171  -5.491   2.176
  374   1HE   LYS  50           HE2      LYS  50 -12.966  -3.285   1.997
  375   2HE   LYS  50           HE1      LYS  50 -11.495  -3.237   1.032
  376   1HZ   LYS  50           HZ1      LYS  50 -13.883  -4.019  -0.401
  377   2HZ   LYS  50           HZ3      LYS  50 -13.880  -2.420   0.171
  378   3HZ   LYS  50           HZ2      LYS  50 -12.637  -2.957  -0.853
  379    H    THR  51           HN       THR  51  -6.568  -6.444  -0.952
  380    HA   THR  51           HA       THR  51  -5.113  -5.493   1.478
  381    HB   THR  51           HB       THR  51  -4.922  -8.211   0.158
  382    HG1  THR  51           HG1      THR  51  -5.469  -8.690   2.158
  383   1HG2  THR  51          HG22      THR  51  -2.775  -6.844   1.828
  384   2HG2  THR  51          HG21      THR  51  -2.815  -8.557   1.450
  385   3HG2  THR  51          HG23      THR  51  -2.572  -7.380   0.166
  386    H    PHE  52           HN       PHE  52  -3.789  -3.866   0.786
  387    HA   PHE  52           HA       PHE  52  -3.068  -3.663  -2.039
  388   1HB   PHE  52           HB2      PHE  52  -3.078  -1.925   0.275
  389   2HB   PHE  52           HB1      PHE  52  -1.560  -1.808  -0.604
  390    HD1  PHE  52           HD1      PHE  52  -1.561  -1.139  -3.022
  391    HD2  PHE  52           HD2      PHE  52  -5.139  -1.230  -0.751
  392    HE1  PHE  52           HE1      PHE  52  -2.721   0.163  -4.766
  393    HE2  PHE  52           HE2      PHE  52  -6.246   0.179  -2.398
  394    HZ   PHE  52           HZ       PHE  52  -5.029   0.917  -4.391
  395    H    THR  53           HN       THR  53  -0.740  -3.335  -2.642
  396    HA   THR  53           HA       THR  53   1.273  -4.451  -0.839
  397    HB   THR  53           HB       THR  53   0.410  -5.996  -3.313
  398    HG1  THR  53           HG1      THR  53   0.732  -7.059  -0.773
  399   1HG2  THR  53          HG23      THR  53   2.932  -5.934  -1.761
  400   2HG2  THR  53          HG22      THR  53   2.194  -7.530  -1.860
  401   3HG2  THR  53          HG21      THR  53   2.618  -6.664  -3.333
  402    H    VAL  54           HN       VAL  54   3.346  -3.895  -1.469
  403    HA   VAL  54           HA       VAL  54   3.711  -2.744  -4.176
  404    HB   VAL  54           HB       VAL  54   3.000  -0.885  -2.615
  405   1HG1  VAL  54          HG11      VAL  54   4.208  -1.939  -0.646
  406   2HG1  VAL  54          HG13      VAL  54   5.708  -1.336  -1.343
  407   3HG1  VAL  54          HG12      VAL  54   4.452  -0.209  -0.840
  408   1HG2  VAL  54          HG23      VAL  54   5.776  -0.857  -3.827
  409   2HG2  VAL  54          HG22      VAL  54   4.289  -0.252  -4.535
  410   3HG2  VAL  54          HG21      VAL  54   5.013   0.580  -3.169
  411    H    THR  55           HN       THR  55   5.875  -2.725  -4.832
  412    HA   THR  55           HA       THR  55   7.885  -3.848  -2.946
  413    HB   THR  55           HB       THR  55   7.293  -5.083  -5.672
  414    HG1  THR  55           HG1      THR  55   6.173  -5.302  -3.296
  415   1HG2  THR  55          HG22      THR  55   9.497  -5.337  -3.693
  416   2HG2  THR  55          HG21      THR  55   8.761  -6.861  -4.183
  417   3HG2  THR  55          HG23      THR  55   9.469  -5.797  -5.390
  418    H    GLU  56           HN       GLU  56   9.655  -2.597  -3.089
  419    HA   GLU  56           HA       GLU  56  10.011  -0.669  -5.206
  420   1HB   GLU  56           HB2      GLU  56  11.088  -1.073  -2.670
  421   2HB   GLU  56           HB1      GLU  56  12.454  -1.310  -3.752
  422   1HG   GLU  56           HG2      GLU  56  11.775   0.853  -4.908
  423   2HG   GLU  56           HG1      GLU  56  10.628   1.108  -3.594
   
  Start of MODEL          32
 Raw file had 423 H/Q atoms
  Entry Start of MODEL   32
    1   1H    MET   1           HT1      MET   1 -12.816   0.929   1.392
    2   2H    MET   1           HT3      MET   1 -14.457   0.720   1.779
    3   3H    MET   1           HT2      MET   1 -13.558   1.952   2.528
    4    HA   MET   1           HA       MET   1 -13.706   0.286   4.135
    5   1HB   MET   1           HB2      MET   1 -14.152  -1.412   2.030
    6   2HB   MET   1           HB1      MET   1 -12.533  -1.888   2.530
    7   1HG   MET   1           HG2      MET   1 -13.390  -1.980   4.896
    8   2HG   MET   1           HG1      MET   1 -14.996  -1.711   4.273
    9   1HE   MET   1           HE1      MET   1 -14.504  -3.587   6.240
   10   2HE   MET   1           HE3      MET   1 -14.546  -5.302   5.830
   11   3HE   MET   1           HE2      MET   1 -13.008  -4.438   5.855
   12    H    THR   2           HN       THR   2 -11.833  -0.971   5.160
   13    HA   THR   2           HA       THR   2  -9.359   0.560   4.601
   14    HB   THR   2           HB       THR   2  -9.766  -1.399   6.885
   15    HG1  THR   2           HG1      THR   2 -11.376  -0.042   7.276
   16   1HG2  THR   2          HG22      THR   2  -7.533  -0.026   6.228
   17   2HG2  THR   2          HG21      THR   2  -8.401   1.259   7.062
   18   3HG2  THR   2          HG23      THR   2  -8.021  -0.237   7.906
   19    OH   TYR   3           OH       TYR   3 -11.517   0.304  -0.924
   20    H    TYR   3           HN       TYR   3  -7.784  -0.290   3.401
   21    HA   TYR   3           HA       TYR   3  -7.769  -3.234   2.945
   22   1HB   TYR   3           HB2      TYR   3  -6.075  -1.220   1.474
   23   2HB   TYR   3           HB1      TYR   3  -6.579  -2.820   0.943
   24    HD1  TYR   3           HD1      TYR   3  -7.924   0.557   1.818
   25    HD2  TYR   3           HD2      TYR   3  -8.590  -3.083  -0.271
   26    HE1  TYR   3           HE1      TYR   3  -9.929   1.516   0.780
   27    HE2  TYR   3           HE2      TYR   3 -10.587  -2.122  -1.315
   28    HH   TYR   3           HH       TYR   3 -11.992   0.798  -0.253
   29    H    LYS   4           HN       LYS   4  -5.460  -4.128   2.631
   30    HA   LYS   4           HA       LYS   4  -3.749  -3.117   4.876
   31   1HB   LYS   4           HB2      LYS   4  -4.994  -5.453   4.960
   32   2HB   LYS   4           HB1      LYS   4  -3.663  -5.963   3.942
   33   1HG   LYS   4           HG2      LYS   4  -2.310  -4.580   5.898
   34   2HG   LYS   4           HG1      LYS   4  -3.661  -5.225   6.818
   35   1HD   LYS   4           HD2      LYS   4  -1.890  -6.926   5.024
   36   2HD   LYS   4           HD1      LYS   4  -1.634  -6.735   6.752
   37   1HE   LYS   4           HE2      LYS   4  -3.431  -8.043   7.305
   38   2HE   LYS   4           HE1      LYS   4  -4.397  -7.475   5.953
   39   1HZ   LYS   4           HZ2      LYS   4  -2.364  -8.850   4.780
   40   2HZ   LYS   4           HZ1      LYS   4  -2.736  -9.782   6.151
   41   3HZ   LYS   4           HZ3      LYS   4  -3.949  -9.414   5.020
   42    H    LEU   5           HN       LEU   5  -1.907  -2.254   4.121
   43    HA   LEU   5           HA       LEU   5  -0.968  -2.940   1.426
   44   1HB   LEU   5           HB2      LEU   5  -0.791  -0.616   2.046
   45   2HB   LEU   5           HB1      LEU   5   0.007  -1.008   3.559
   46    HG   LEU   5           HG       LEU   5   1.984  -1.883   2.195
   47   1HD1  LEU   5          HD13      LEU   5   0.436  -0.571  -0.061
   48   2HD1  LEU   5          HD12      LEU   5   2.095  -1.144  -0.172
   49   3HD1  LEU   5          HD11      LEU   5   0.786  -2.290   0.071
   50   1HD2  LEU   5          HD22      LEU   5   1.803   0.448   3.174
   51   2HD2  LEU   5          HD21      LEU   5   2.884   0.300   1.793
   52   3HD2  LEU   5          HD23      LEU   5   1.279   0.987   1.584
   53    H    ILE   6           HN       ILE   6   1.079  -3.832   0.964
   54    HA   ILE   6           HA       ILE   6   2.461  -5.195   3.194
   55    HB   ILE   6           HB       ILE   6   1.585  -6.292   0.539
   56   1HG1  ILE   6          HG12      ILE   6   1.569  -7.431   3.359
   57   2HG1  ILE   6          HG11      ILE   6   0.211  -6.578   2.644
   58   1HG2  ILE   6          HG23      ILE   6   3.980  -7.045   2.210
   59   2HG2  ILE   6          HG22      ILE   6   3.133  -8.284   1.294
   60   3HG2  ILE   6          HG21      ILE   6   3.855  -6.918   0.460
   61   1HD1  ILE   6           HD2      ILE   6   0.706  -8.422   0.689
   62   2HD1  ILE   6           HD1      ILE   6   1.204  -9.326   2.115
   63   3HD1  ILE   6           HD3      ILE   6  -0.429  -8.685   2.005
   64    H    LEU   7           HN       LEU   7   4.255  -3.956   3.347
   65    HA   LEU   7           HA       LEU   7   5.554  -2.848   0.983
   66   1HB   LEU   7           HB2      LEU   7   6.134  -2.803   3.924
   67   2HB   LEU   7           HB1      LEU   7   7.321  -2.212   2.769
   68    HG   LEU   7           HG       LEU   7   4.490  -1.272   2.483
   69   1HD1  LEU   7          HD13      LEU   7   6.466  -0.246   4.553
   70   2HD1  LEU   7          HD12      LEU   7   4.969   0.567   4.105
   71   3HD1  LEU   7          HD11      LEU   7   4.914  -1.008   4.890
   72   1HD2  LEU   7          HD21      LEU   7   6.672  -0.755   1.048
   73   2HD2  LEU   7          HD23      LEU   7   5.494   0.511   1.372
   74   3HD2  LEU   7          HD22      LEU   7   6.967   0.415   2.330
   75    H    ASN   8           HN       ASN   8   6.736  -4.081  -0.325
   76    HA   ASN   8           HA       ASN   8   8.339  -6.292   0.876
   77   1HB   ASN   8           HB2      ASN   8   6.786  -5.982  -1.564
   78   2HB   ASN   8           HB1      ASN   8   8.414  -6.510  -1.920
   79   1HD2  ASN   8          HD22      ASN   8   5.895  -9.242  -0.791
   80   2HD2  ASN   8          HD21      ASN   8   5.550  -7.819  -1.636
   81    H    GLY   9           HN       GLY   9   9.212  -3.637   1.169
   82   1HA   GLY   9           HA2      GLY   9  10.982  -2.711  -0.834
   83   2HA   GLY   9           HA1      GLY   9  11.161  -2.356   0.874
   84    H    LYS  10           HN       LYS  10  13.015  -3.215  -1.413
   85    HA   LYS  10           HA       LYS  10  14.067  -5.802  -0.696
   86   1HB   LYS  10           HB2      LYS  10  14.516  -4.785  -2.889
   87   2HB   LYS  10           HB1      LYS  10  15.397  -3.474  -2.113
   88   1HG   LYS  10           HG2      LYS  10  17.208  -4.821  -1.580
   89   2HG   LYS  10           HG1      LYS  10  16.229  -6.280  -1.480
   90   1HD   LYS  10           HD2      LYS  10  16.495  -4.911  -4.139
   91   2HD   LYS  10           HD1      LYS  10  17.843  -5.879  -3.553
   92   1HE   LYS  10           HE2      LYS  10  16.628  -7.861  -3.617
   93   2HE   LYS  10           HE1      LYS  10  15.086  -7.045  -3.399
   94   1HZ   LYS  10           HZ2      LYS  10  15.486  -6.086  -5.685
   95   2HZ   LYS  10           HZ1      LYS  10  16.717  -7.245  -5.852
   96   3HZ   LYS  10           HZ3      LYS  10  15.111  -7.740  -5.607
   97    H    THR  11           HN       THR  11  14.295  -2.685   0.645
   98    HA   THR  11           HA       THR  11  16.446  -3.608   2.499
   99    HB   THR  11           HB       THR  11  16.763  -0.941   2.627
  100    HG1  THR  11           HG1      THR  11  14.914  -1.262   0.866
  101   1HG2  THR  11          HG23      THR  11  17.822  -2.974   0.705
  102   2HG2  THR  11          HG22      THR  11  18.116  -1.283   0.313
  103   3HG2  THR  11          HG21      THR  11  18.711  -1.951   1.830
  104    H    LEU  12           HN       LEU  12  13.237  -2.788   2.181
  105    HA   LEU  12           HA       LEU  12  12.973  -2.497   5.107
  106   1HB   LEU  12           HB2      LEU  12  13.333  -0.172   4.052
  107   2HB   LEU  12           HB1      LEU  12  11.717  -0.371   3.383
  108    HG   LEU  12           HG       LEU  12  11.145  -1.055   5.899
  109   1HD1  LEU  12          HD13      LEU  12  13.723  -0.649   6.344
  110   2HD1  LEU  12          HD12      LEU  12  13.237   1.042   6.416
  111   3HD1  LEU  12          HD11      LEU  12  12.536  -0.124   7.533
  112   1HD2  LEU  12          HD22      LEU  12  11.437   1.674   4.648
  113   2HD2  LEU  12          HD21      LEU  12   9.966   0.752   4.947
  114   3HD2  LEU  12          HD23      LEU  12  10.818   1.511   6.288
  115    H    LYS  13           HN       LYS  13  11.633  -4.218   5.318
  116    HA   LYS  13           HA       LYS  13   9.233  -4.374   3.555
  117   1HB   LYS  13           HB2      LYS  13  10.313  -6.429   5.498
  118   2HB   LYS  13           HB1      LYS  13   9.021  -6.676   4.332
  119   1HG   LYS  13           HG2      LYS  13  10.551  -6.343   2.476
  120   2HG   LYS  13           HG1      LYS  13  11.845  -5.868   3.568
  121   1HD   LYS  13           HD2      LYS  13  12.401  -8.023   3.965
  122   2HD   LYS  13           HD1      LYS  13  10.733  -8.444   4.335
  123   1HE   LYS  13           HE2      LYS  13  11.552  -9.703   2.367
  124   2HE   LYS  13           HE1      LYS  13  10.234  -8.624   1.924
  125   1HZ   LYS  13           HZ1      LYS  13  12.945  -7.569   1.734
  126   2HZ   LYS  13           HZ3      LYS  13  12.479  -8.723   0.578
  127   3HZ   LYS  13           HZ2      LYS  13  11.594  -7.285   0.747
  128    H    GLY  14           HN       GLY  14   7.149  -4.432   4.430
  129   1HA   GLY  14           HA2      GLY  14   6.643  -4.474   7.272
  130   2HA   GLY  14           HA1      GLY  14   6.597  -2.823   6.663
  131    H    GLU  15           HN       GLU  15   4.334  -2.958   7.391
  132    HA   GLU  15           HA       GLU  15   2.537  -3.347   5.201
  133   1HB   GLU  15           HB2      GLU  15   1.189  -5.211   6.377
  134   2HB   GLU  15           HB1      GLU  15   2.652  -5.690   5.524
  135   1HG   GLU  15           HG2      GLU  15   3.919  -5.731   7.601
  136   2HG   GLU  15           HG1      GLU  15   2.560  -5.055   8.493
  137    H    THR  16           HN       THR  16   0.733  -2.142   5.587
  138    HA   THR  16           HA       THR  16  -0.154  -1.689   8.366
  139    HB   THR  16           HB       THR  16   1.475   0.109   8.195
  140    HG1  THR  16           HG1      THR  16  -0.002   1.576   8.726
  141   1HG2  THR  16          HG22      THR  16   0.932   0.027   5.440
  142   2HG2  THR  16          HG21      THR  16   0.200   1.533   5.977
  143   3HG2  THR  16          HG23      THR  16   1.914   1.238   6.253
  144    H    THR  17           HN       THR  17  -2.255  -0.808   8.516
  145    HA   THR  17           HA       THR  17  -3.813  -1.068   5.983
  146    HB   THR  17           HB       THR  17  -5.653  -1.818   7.298
  147    HG1  THR  17           HG1      THR  17  -4.241  -0.798   9.545
  148   1HG2  THR  17          HG22      THR  17  -3.251  -3.112   7.713
  149   2HG2  THR  17          HG21      THR  17  -3.691  -2.663   9.357
  150   3HG2  THR  17          HG23      THR  17  -4.782  -3.654   8.392
  151    H    THR  18           HN       THR  18  -4.984   0.588   5.213
  152    HA   THR  18           HA       THR  18  -5.211   3.054   6.897
  153    HB   THR  18           HB       THR  18  -3.445   3.115   4.960
  154    HG1  THR  18           HG1      THR  18  -4.921   5.202   4.407
  155   1HG2  THR  18          HG21      THR  18  -5.412   2.189   3.366
  156   2HG2  THR  18          HG23      THR  18  -5.823   3.900   3.308
  157   3HG2  THR  18          HG22      THR  18  -4.237   3.355   2.772
  158    H    GLU  19           HN       GLU  19  -7.099   4.252   6.642
  159    HA   GLU  19           HA       GLU  19  -9.357   2.729   5.507
  160   1HB   GLU  19           HB2      GLU  19  -9.498   3.811   7.761
  161   2HB   GLU  19           HB1      GLU  19  -9.383   5.379   6.970
  162   1HG   GLU  19           HG2      GLU  19 -11.385   3.907   5.582
  163   2HG   GLU  19           HG1      GLU  19 -11.710   3.711   7.303
  164    H    ALA  20           HN       ALA  20 -10.182   3.119   3.562
  165    HA   ALA  20           HA       ALA  20  -9.884   5.833   2.374
  166   1HB   ALA  20           HB2      ALA  20  -8.639   3.343   1.440
  167   2HB   ALA  20           HB1      ALA  20  -9.548   4.186   0.190
  168   3HB   ALA  20           HB3      ALA  20  -8.245   5.010   1.042
  169    H    VAL  21           HN       VAL  21 -11.472   6.331   0.786
  170    HA   VAL  21           HA       VAL  21 -13.952   4.756   1.137
  171    HB   VAL  21           HB       VAL  21 -14.165   7.150   1.425
  172   1HG1  VAL  21          HG12      VAL  21 -12.984   7.309  -1.371
  173   2HG1  VAL  21          HG11      VAL  21 -13.651   8.678  -0.487
  174   3HG1  VAL  21          HG13      VAL  21 -12.215   7.857   0.116
  175   1HG2  VAL  21          HG23      VAL  21 -15.856   5.698  -0.021
  176   2HG2  VAL  21          HG22      VAL  21 -16.061   7.443   0.102
  177   3HG2  VAL  21          HG21      VAL  21 -15.301   6.744  -1.324
  178    H    ASP  22           HN       ASP  22 -11.405   4.670  -0.939
  179    HA   ASP  22           HA       ASP  22 -12.826   3.038  -2.852
  180   1HB   ASP  22           HB2      ASP  22 -12.871   4.422  -4.756
  181   2HB   ASP  22           HB1      ASP  22 -13.405   5.494  -3.465
  182    H    ALA  23           HN       ALA  23 -11.218   2.987  -4.983
  183    HA   ALA  23           HA       ALA  23  -8.726   1.942  -3.845
  184   1HB   ALA  23           HB1      ALA  23  -9.797   2.030  -6.673
  185   2HB   ALA  23           HB3      ALA  23  -8.269   1.278  -6.229
  186   3HB   ALA  23           HB2      ALA  23  -9.781   0.644  -5.588
  187    H    ALA  24           HN       ALA  24  -9.492   4.283  -6.420
  188    HA   ALA  24           HA       ALA  24  -6.945   5.243  -6.964
  189   1HB   ALA  24           HB3      ALA  24  -9.663   6.430  -7.018
  190   2HB   ALA  24           HB2      ALA  24  -8.322   7.571  -7.051
  191   3HB   ALA  24           HB1      ALA  24  -8.454   6.332  -8.295
  192    H    THR  25           HN       THR  25  -9.114   6.412  -4.399
  193    HA   THR  25           HA       THR  25  -7.208   8.267  -3.304
  194    HB   THR  25           HB       THR  25  -9.699   8.342  -2.827
  195    HG1  THR  25           HG1      THR  25  -8.058   8.007  -0.535
  196   1HG2  THR  25          HG22      THR  25  -9.616   5.740  -2.217
  197   2HG2  THR  25          HG21      THR  25  -9.140   6.358  -0.641
  198   3HG2  THR  25          HG23      THR  25 -10.689   6.820  -1.335
  199    H    ALA  26           HN       ALA  26  -7.825   4.859  -2.775
  200    HA   ALA  26           HA       ALA  26  -6.183   4.649  -0.401
  201   1HB   ALA  26           HB2      ALA  26  -7.908   2.968  -1.010
  202   2HB   ALA  26           HB1      ALA  26  -6.933   2.500  -2.399
  203   3HB   ALA  26           HB3      ALA  26  -6.327   2.229  -0.768
  204    H    GLU  27           HN       GLU  27  -5.581   4.439  -3.842
  205    HA   GLU  27           HA       GLU  27  -2.982   3.285  -3.760
  206   1HB   GLU  27           HB2      GLU  27  -4.295   5.184  -5.710
  207   2HB   GLU  27           HB1      GLU  27  -2.704   4.492  -5.977
  208   1HG   GLU  27           HG2      GLU  27  -3.692   2.207  -5.745
  209   2HG   GLU  27           HG1      GLU  27  -5.286   2.945  -5.594
  210    H    LYS  28           HN       LYS  28  -3.847   6.722  -4.167
  211    HA   LYS  28           HA       LYS  28  -1.187   7.689  -3.785
  212   1HB   LYS  28           HB2      LYS  28  -2.560   9.851  -3.091
  213   2HB   LYS  28           HB1      LYS  28  -2.528   9.295  -4.760
  214   1HG   LYS  28           HG2      LYS  28  -4.689   8.456  -4.665
  215   2HG   LYS  28           HG1      LYS  28  -4.611   8.162  -2.935
  216   1HD   LYS  28           HD2      LYS  28  -4.443  10.992  -3.907
  217   2HD   LYS  28           HD1      LYS  28  -6.016  10.203  -3.893
  218   1HE   LYS  28           HE2      LYS  28  -5.998   9.916  -1.565
  219   2HE   LYS  28           HE1      LYS  28  -4.245  10.034  -1.466
  220   1HZ   LYS  28           HZ3      LYS  28  -5.479  12.398  -2.518
  221   2HZ   LYS  28           HZ2      LYS  28  -5.991  12.029  -0.941
  222   3HZ   LYS  28           HZ1      LYS  28  -4.337  12.229  -1.273
  223    H    VAL  29           HN       VAL  29  -3.798   7.039  -1.502
  224    HA   VAL  29           HA       VAL  29  -2.705   8.358   0.764
  225    HB   VAL  29           HB       VAL  29  -4.424   5.892   0.498
  226   1HG1  VAL  29          HG11      VAL  29  -3.280   7.222   2.958
  227   2HG1  VAL  29          HG13      VAL  29  -4.811   6.356   3.024
  228   3HG1  VAL  29          HG12      VAL  29  -3.338   5.506   2.571
  229   1HG2  VAL  29          HG21      VAL  29  -5.070   8.471   0.092
  230   2HG2  VAL  29          HG23      VAL  29  -6.194   7.344   0.845
  231   3HG2  VAL  29          HG22      VAL  29  -5.239   8.433   1.844
  232    H    PHE  30           HN       PHE  30  -2.412   4.907  -0.091
  233    HA   PHE  30           HA       PHE  30  -0.417   4.342   1.884
  234   1HB   PHE  30           HB2      PHE  30  -1.339   2.988  -0.633
  235   2HB   PHE  30           HB1      PHE  30   0.129   2.422   0.149
  236    HD1  PHE  30           HD1      PHE  30  -0.189   2.267   2.885
  237    HD2  PHE  30           HD2      PHE  30  -3.287   1.853  -0.015
  238    HE1  PHE  30           HE1      PHE  30  -1.549   1.015   4.506
  239    HE2  PHE  30           HE2      PHE  30  -4.625   0.593   1.608
  240    HZ   PHE  30           HZ       PHE  30  -3.753   0.146   3.858
  241    H    LYS  31           HN       LYS  31  -0.168   5.191  -1.555
  242    HA   LYS  31           HA       LYS  31   2.632   4.970  -1.842
  243   1HB   LYS  31           HB2      LYS  31   0.914   5.505  -3.646
  244   2HB   LYS  31           HB1      LYS  31   0.981   7.170  -3.084
  245   1HG   LYS  31           HG2      LYS  31   3.669   6.471  -3.313
  246   2HG   LYS  31           HG1      LYS  31   2.932   5.655  -4.685
  247   1HD   LYS  31           HD2      LYS  31   2.505   8.598  -4.046
  248   2HD   LYS  31           HD1      LYS  31   3.701   8.005  -5.189
  249   1HE   LYS  31           HE2      LYS  31   0.758   7.311  -5.406
  250   2HE   LYS  31           HE1      LYS  31   1.472   8.699  -6.214
  251   1HZ   LYS  31           HZ2      LYS  31   2.821   6.148  -6.572
  252   2HZ   LYS  31           HZ1      LYS  31   1.310   6.320  -7.327
  253   3HZ   LYS  31           HZ3      LYS  31   2.563   7.411  -7.678
  254    H    GLN  32           HN       GLN  32   0.693   7.623  -0.555
  255    HA   GLN  32           HA       GLN  32   2.835   9.486  -0.223
  256   1HB   GLN  32           HB2      GLN  32   0.457  10.126  -0.042
  257   2HB   GLN  32           HB1      GLN  32   0.313   9.168   1.426
  258   1HG   GLN  32           HG2      GLN  32   2.576  11.037   1.512
  259   2HG   GLN  32           HG1      GLN  32   1.026  11.852   1.325
  260   1HE2  GLN  32          HE22      GLN  32  -0.083  11.079   4.588
  261   2HE2  GLN  32          HE21      GLN  32  -0.475  11.758   3.084
  262    OH   TYR  33           OH       TYR  33   5.026   3.030   8.167
  263    H    TYR  33           HN       TYR  33   1.738   6.763   1.662
  264    HA   TYR  33           HA       TYR  33   3.332   7.402   4.008
  265   1HB   TYR  33           HB2      TYR  33   1.354   5.979   4.234
  266   2HB   TYR  33           HB1      TYR  33   2.047   4.807   3.121
  267    HD1  TYR  33           HD1      TYR  33   4.069   3.512   3.770
  268    HD2  TYR  33           HD2      TYR  33   2.112   6.086   6.532
  269    HE1  TYR  33           HE1      TYR  33   5.256   2.428   5.617
  270    HE2  TYR  33           HE2      TYR  33   3.300   5.002   8.383
  271    HH   TYR  33           HH       TYR  33   4.436   2.378   8.555
  272    H    ALA  34           HN       ALA  34   3.597   4.852   1.549
  273    HA   ALA  34           HA       ALA  34   6.080   3.793   2.240
  274   1HB   ALA  34           HB2      ALA  34   4.385   3.759  -0.054
  275   2HB   ALA  34           HB1      ALA  34   6.032   4.039  -0.606
  276   3HB   ALA  34           HB3      ALA  34   5.659   2.622   0.368
  277    H    ASN  35           HN       ASN  35   5.391   6.770   0.503
  278    HA   ASN  35           HA       ASN  35   8.037   7.366  -0.363
  279   1HB   ASN  35           HB2      ASN  35   5.848   8.561  -0.973
  280   2HB   ASN  35           HB1      ASN  35   6.046   9.449   0.536
  281   1HD2  ASN  35          HD22      ASN  35   7.905  10.922  -2.567
  282   2HD2  ASN  35          HD21      ASN  35   6.439  10.065  -2.556
  283    H    ASP  36           HN       ASP  36   6.403   7.909   2.702
  284    HA   ASP  36           HA       ASP  36   8.607   9.459   3.820
  285   1HB   ASP  36           HB2      ASP  36   6.194   8.161   5.111
  286   2HB   ASP  36           HB1      ASP  36   7.332   9.206   5.959
  287    H    ASN  37           HN       ASN  37   8.607   6.420   2.895
  288    HA   ASN  37           HA       ASN  37  10.281   5.504   5.205
  289   1HB   ASN  37           HB2      ASN  37   8.137   4.071   3.680
  290   2HB   ASN  37           HB1      ASN  37   9.486   3.146   4.334
  291   1HD2  ASN  37          HD22      ASN  37   6.571   4.411   6.803
  292   2HD2  ASN  37          HD21      ASN  37   6.469   4.559   5.115
  293    H    GLY  38           HN       GLY  38   9.928   5.910   1.813
  294   1HA   GLY  38           HA2      GLY  38  11.826   5.967   0.318
  295   2HA   GLY  38           HA1      GLY  38  12.709   4.941   1.444
  296    H    VAL  39           HN       VAL  39   9.593   4.695  -0.271
  297    HA   VAL  39           HA       VAL  39  10.561   2.210  -1.574
  298    HB   VAL  39           HB       VAL  39   7.942   2.301  -0.064
  299   1HG1  VAL  39          HG11      VAL  39   8.892   0.619  -2.089
  300   2HG1  VAL  39          HG13      VAL  39   9.198  -0.281  -0.607
  301   3HG1  VAL  39          HG12      VAL  39   7.567   0.262  -0.987
  302   1HG2  VAL  39          HG22      VAL  39  10.660   1.213   0.730
  303   2HG2  VAL  39          HG21      VAL  39   9.705   2.420   1.585
  304   3HG2  VAL  39          HG23      VAL  39   9.163   0.745   1.529
  305    H    ASP  40           HN       ASP  40  10.331   2.870  -3.652
  306    HA   ASP  40           HA       ASP  40   7.587   3.498  -4.569
  307   1HB   ASP  40           HB2      ASP  40   9.942   5.290  -5.219
  308   2HB   ASP  40           HB1      ASP  40   8.284   5.500  -5.775
  309    H    GLY  41           HN       GLY  41   7.293   1.958  -6.060
  310   1HA   GLY  41           HA2      GLY  41   8.979   1.880  -8.427
  311   2HA   GLY  41           HA1      GLY  41   9.187   0.449  -7.421
  312    H    GLU  42           HN       GLU  42   7.669  -1.132  -7.492
  313    HA   GLU  42           HA       GLU  42   5.443  -0.744  -9.430
  314   1HB   GLU  42           HB2      GLU  42   6.373  -3.316  -8.161
  315   2HB   GLU  42           HB1      GLU  42   5.362  -3.137  -9.588
  316   1HG   GLU  42           HG2      GLU  42   7.411  -3.461 -10.626
  317   2HG   GLU  42           HG1      GLU  42   7.469  -1.711 -10.435
  318    CH2  TRP  43           CH2      TRP  43   2.260   2.399  -2.141
  319    H    TRP  43           HN       TRP  43   3.318  -1.060  -8.863
  320    HA   TRP  43           HA       TRP  43   2.762  -1.532  -5.958
  321   1HB   TRP  43           HB2      TRP  43   1.692   0.551  -7.837
  322   2HB   TRP  43           HB1      TRP  43   0.761   0.055  -6.434
  323    HD1  TRP  43           HD1      TRP  43   4.314   1.307  -7.307
  324    HE1  TRP  43           HE1      TRP  43   5.101   2.667  -5.310
  325    HE3  TRP  43           HE3      TRP  43   0.460   0.519  -4.262
  326    HZ2  TRP  43           HZ2      TRP  43   4.153   3.284  -2.567
  327    HZ3  TRP  43           HZ3      TRP  43   0.379   1.411  -1.986
  328    HH2  TRP  43           HH2      TRP  43   2.223   2.784  -1.133
  329    H    THR  44           HN       THR  44   1.298  -3.069  -5.535
  330    HA   THR  44           HA       THR  44  -0.405  -4.047  -7.801
  331    HB   THR  44           HB       THR  44  -0.174  -6.333  -6.532
  332    HG1  THR  44           HG1      THR  44   0.920  -4.875  -4.842
  333   1HG2  THR  44          HG22      THR  44   1.822  -4.920  -8.247
  334   2HG2  THR  44          HG21      THR  44   2.407  -6.339  -7.384
  335   3HG2  THR  44          HG23      THR  44   1.054  -6.484  -8.501
  336    OH   TYR  45           OH       TYR  45  -8.914  -1.261  -2.997
  337    H    TYR  45           HN       TYR  45  -2.504  -4.231  -7.438
  338    HA   TYR  45           HA       TYR  45  -3.538  -3.727  -4.673
  339   1HB   TYR  45           HB2      TYR  45  -4.128  -2.233  -6.712
  340   2HB   TYR  45           HB1      TYR  45  -5.118  -3.588  -7.259
  341    HD1  TYR  45           HD1      TYR  45  -6.603  -4.577  -4.995
  342    HD2  TYR  45           HD2      TYR  45  -5.404  -0.575  -5.748
  343    HE1  TYR  45           HE1      TYR  45  -8.355  -3.773  -3.504
  344    HE2  TYR  45           HE2      TYR  45  -7.211   0.228  -4.320
  345    HH   TYR  45           HH       TYR  45  -9.369  -0.552  -3.458
  346    H    ASP  46           HN       ASP  46  -4.561  -5.362  -3.646
  347    HA   ASP  46           HA       ASP  46  -5.222  -7.819  -5.224
  348   1HB   ASP  46           HB2      ASP  46  -3.559  -7.853  -3.226
  349   2HB   ASP  46           HB1      ASP  46  -5.002  -7.724  -2.228
  350    H    ASP  47           HN       ASP  47  -7.277  -6.952  -5.887
  351    HA   ASP  47           HA       ASP  47  -9.260  -6.154  -3.921
  352   1HB   ASP  47           HB2      ASP  47  -9.408  -5.342  -6.221
  353   2HB   ASP  47           HB1      ASP  47  -9.555  -6.994  -6.819
  354    H    ALA  48           HN       ALA  48  -7.874  -9.028  -4.337
  355    HA   ALA  48           HA       ALA  48 -10.270 -10.727  -4.324
  356   1HB   ALA  48           HB3      ALA  48  -7.787 -11.219  -5.184
  357   2HB   ALA  48           HB2      ALA  48  -7.603 -11.794  -3.529
  358   3HB   ALA  48           HB1      ALA  48  -8.826 -12.504  -4.577
  359    H    THR  49           HN       THR  49  -8.263  -9.130  -2.027
  360    HA   THR  49           HA       THR  49  -9.940 -10.217   0.150
  361    HB   THR  49           HB       THR  49  -7.611 -10.559   1.445
  362    HG1  THR  49           HG1      THR  49  -6.503 -11.599  -0.661
  363   1HG2  THR  49          HG21      THR  49  -9.332 -12.379   0.813
  364   2HG2  THR  49          HG23      THR  49  -8.423 -12.571  -0.682
  365   3HG2  THR  49          HG22      THR  49  -7.654 -12.907   0.866
  366    H    LYS  50           HN       LYS  50  -9.140  -7.605  -1.259
  367    HA   LYS  50           HA       LYS  50  -8.793  -5.375  -0.622
  368   1HB   LYS  50           HB2      LYS  50  -9.747  -6.413   2.061
  369   2HB   LYS  50           HB1      LYS  50  -9.748  -4.733   1.539
  370   1HG   LYS  50           HG2      LYS  50 -11.058  -6.138  -0.519
  371   2HG   LYS  50           HG1      LYS  50 -11.689  -6.820   0.976
  372   1HD   LYS  50           HD2      LYS  50 -12.191  -4.541   1.804
  373   2HD   LYS  50           HD1      LYS  50 -11.557  -3.859   0.310
  374   1HE   LYS  50           HE2      LYS  50 -13.731  -5.942   0.206
  375   2HE   LYS  50           HE1      LYS  50 -14.141  -4.262   0.530
  376   1HZ   LYS  50           HZ3      LYS  50 -12.337  -4.694  -1.694
  377   2HZ   LYS  50           HZ2      LYS  50 -13.913  -5.293  -1.910
  378   3HZ   LYS  50           HZ1      LYS  50 -13.670  -3.650  -1.556
  379    H    THR  51           HN       THR  51  -6.485  -6.359  -0.858
  380    HA   THR  51           HA       THR  51  -4.959  -5.507   1.565
  381    HB   THR  51           HB       THR  51  -4.566  -8.116   0.019
  382    HG1  THR  51           HG1      THR  51  -5.873  -8.623   1.602
  383   1HG2  THR  51          HG22      THR  51  -2.500  -6.636   1.196
  384   2HG2  THR  51          HG21      THR  51  -3.035  -7.691   2.494
  385   3HG2  THR  51          HG23      THR  51  -2.496  -8.375   0.967
  386    H    PHE  52           HN       PHE  52  -3.712  -3.824   0.857
  387    HA   PHE  52           HA       PHE  52  -3.049  -3.569  -1.976
  388   1HB   PHE  52           HB2      PHE  52  -3.025  -1.874   0.366
  389   2HB   PHE  52           HB1      PHE  52  -1.516  -1.737  -0.527
  390    HD1  PHE  52           HD1      PHE  52  -1.553  -1.027  -2.945
  391    HD2  PHE  52           HD2      PHE  52  -5.098  -1.173  -0.624
  392    HE1  PHE  52           HE1      PHE  52  -2.736   0.330  -4.632
  393    HE2  PHE  52           HE2      PHE  52  -6.229   0.277  -2.218
  394    HZ   PHE  52           HZ       PHE  52  -5.037   1.069  -4.206
  395    H    THR  53           HN       THR  53  -0.744  -3.276  -2.650
  396    HA   THR  53           HA       THR  53   1.290  -4.411  -0.875
  397    HB   THR  53           HB       THR  53   0.419  -5.914  -3.372
  398    HG1  THR  53           HG1      THR  53  -0.850  -6.346  -1.597
  399   1HG2  THR  53          HG23      THR  53   2.920  -5.893  -1.801
  400   2HG2  THR  53          HG22      THR  53   2.156  -7.479  -1.873
  401   3HG2  THR  53          HG21      THR  53   2.602  -6.648  -3.361
  402    H    VAL  54           HN       VAL  54   3.375  -3.958  -1.557
  403    HA   VAL  54           HA       VAL  54   3.755  -2.741  -4.223
  404    HB   VAL  54           HB       VAL  54   3.069  -0.890  -2.647
  405   1HG1  VAL  54          HG12      VAL  54   4.217  -2.005  -0.679
  406   2HG1  VAL  54          HG11      VAL  54   5.744  -1.429  -1.339
  407   3HG1  VAL  54          HG13      VAL  54   4.510  -0.279  -0.836
  408   1HG2  VAL  54          HG23      VAL  54   5.867  -0.894  -3.812
  409   2HG2  VAL  54          HG22      VAL  54   4.404  -0.247  -4.535
  410   3HG2  VAL  54          HG21      VAL  54   5.119   0.546  -3.140
  411    H    THR  55           HN       THR  55   5.937  -2.748  -4.863
  412    HA   THR  55           HA       THR  55   7.904  -3.930  -2.970
  413    HB   THR  55           HB       THR  55   7.304  -5.153  -5.700
  414    HG1  THR  55           HG1      THR  55   6.330  -6.687  -4.450
  415   1HG2  THR  55          HG22      THR  55   9.482  -5.461  -3.701
  416   2HG2  THR  55          HG21      THR  55   8.704  -6.966  -4.183
  417   3HG2  THR  55          HG23      THR  55   9.454  -5.935  -5.393
  418    H    GLU  56           HN       GLU  56   9.619  -2.610  -3.061
  419    HA   GLU  56           HA       GLU  56  10.078  -0.685  -5.112
  420   1HB   GLU  56           HB2      GLU  56  11.193  -1.267  -2.635
  421   2HB   GLU  56           HB1      GLU  56  12.519  -1.545  -3.755
  422   1HG   GLU  56           HG2      GLU  56  10.813   0.971  -3.635
  423   2HG   GLU  56           HG1      GLU  56  12.457   0.821  -3.020
   
  Start of MODEL          33
 Raw file had 423 H/Q atoms
  Entry Start of MODEL   33
    1   1H    MET   1           HT2      MET   1 -12.368   1.281   1.536
    2   2H    MET   1           HT1      MET   1 -13.538   0.068   1.327
    3   3H    MET   1           HT3      MET   1 -13.983   1.576   1.974
    4    HA   MET   1           HA       MET   1 -13.478   0.961   4.021
    5   1HB   MET   1           HB2      MET   1 -13.857  -1.433   2.524
    6   2HB   MET   1           HB1      MET   1 -12.561  -1.729   3.678
    7   1HG   MET   1           HG2      MET   1 -13.977  -0.819   5.482
    8   2HG   MET   1           HG1      MET   1 -15.261  -0.536   4.337
    9   1HE   MET   1           HE2      MET   1 -16.225  -1.228   6.360
   10   2HE   MET   1           HE1      MET   1 -17.345  -2.461   5.779
   11   3HE   MET   1           HE3      MET   1 -16.218  -2.837   7.083
   12    H    THR   2           HN       THR   2 -11.661  -0.628   5.249
   13    HA   THR   2           HA       THR   2  -9.144   0.792   4.629
   14    HB   THR   2           HB       THR   2  -9.548  -1.132   6.939
   15    HG1  THR   2           HG1      THR   2 -10.995   0.248   7.624
   16   1HG2  THR   2          HG21      THR   2  -7.333   0.251   6.262
   17   2HG2  THR   2          HG23      THR   2  -8.211   1.548   7.066
   18   3HG2  THR   2          HG22      THR   2  -7.818   0.074   7.945
   19    OH   TYR   3           OH       TYR   3 -11.441   0.414  -0.909
   20    H    TYR   3           HN       TYR   3  -7.638  -0.122   3.378
   21    HA   TYR   3           HA       TYR   3  -7.692  -3.083   3.015
   22   1HB   TYR   3           HB2      TYR   3  -5.992  -1.167   1.424
   23   2HB   TYR   3           HB1      TYR   3  -6.550  -2.771   0.968
   24    HD1  TYR   3           HD1      TYR   3  -7.800   0.661   1.767
   25    HD2  TYR   3           HD2      TYR   3  -8.573  -3.017  -0.216
   26    HE1  TYR   3           HE1      TYR   3  -9.798   1.634   0.737
   27    HE2  TYR   3           HE2      TYR   3 -10.570  -2.042  -1.251
   28    HH   TYR   3           HH       TYR   3 -11.883   0.954  -0.249
   29    H    LYS   4           HN       LYS   4  -5.431  -4.057   2.706
   30    HA   LYS   4           HA       LYS   4  -3.648  -3.014   4.881
   31   1HB   LYS   4           HB2      LYS   4  -4.918  -5.365   4.961
   32   2HB   LYS   4           HB1      LYS   4  -3.544  -5.867   3.988
   33   1HG   LYS   4           HG2      LYS   4  -2.199  -4.523   5.886
   34   2HG   LYS   4           HG1      LYS   4  -3.617  -4.963   6.833
   35   1HD   LYS   4           HD2      LYS   4  -3.279  -7.349   5.955
   36   2HD   LYS   4           HD1      LYS   4  -1.703  -6.810   5.388
   37   1HE   LYS   4           HE2      LYS   4  -1.657  -5.851   7.937
   38   2HE   LYS   4           HE1      LYS   4  -2.656  -7.282   8.160
   39   1HZ   LYS   4           HZ3      LYS   4  -0.900  -8.549   6.976
   40   2HZ   LYS   4           HZ2      LYS   4   0.075  -7.160   7.018
   41   3HZ   LYS   4           HZ1      LYS   4  -0.408  -7.903   8.467
   42    H    LEU   5           HN       LEU   5  -1.829  -2.165   4.068
   43    HA   LEU   5           HA       LEU   5  -0.913  -2.877   1.384
   44   1HB   LEU   5           HB2      LEU   5  -0.711  -0.557   2.042
   45   2HB   LEU   5           HB1      LEU   5   0.140  -0.985   3.518
   46    HG   LEU   5           HG       LEU   5   2.052  -1.853   2.076
   47   1HD1  LEU   5          HD12      LEU   5   0.413  -0.535  -0.112
   48   2HD1  LEU   5          HD11      LEU   5   2.078  -1.067  -0.290
   49   3HD1  LEU   5          HD13      LEU   5   0.807  -2.248  -0.013
   50   1HD2  LEU   5          HD22      LEU   5   1.929   0.466   3.077
   51   2HD2  LEU   5          HD21      LEU   5   2.942   0.336   1.642
   52   3HD2  LEU   5          HD23      LEU   5   1.328   1.029   1.520
   53    H    ILE   6           HN       ILE   6   1.112  -3.796   0.901
   54    HA   ILE   6           HA       ILE   6   2.516  -5.161   3.115
   55    HB   ILE   6           HB       ILE   6   1.630  -6.282   0.468
   56   1HG1  ILE   6          HG12      ILE   6   1.540  -7.368   3.308
   57   2HG1  ILE   6          HG11      ILE   6   0.207  -6.518   2.540
   58   1HG2  ILE   6          HG22      ILE   6   3.950  -7.107   2.222
   59   2HG2  ILE   6          HG21      ILE   6   3.127  -8.283   1.207
   60   3HG2  ILE   6          HG23      ILE   6   3.925  -6.900   0.474
   61   1HD1  ILE   6           HD1      ILE   6   0.722  -8.401   0.636
   62   2HD1  ILE   6           HD3      ILE   6   1.198  -9.284   2.082
   63   3HD1  ILE   6           HD2      ILE   6  -0.432  -8.641   1.940
   64    H    LEU   7           HN       LEU   7   4.306  -3.915   3.229
   65    HA   LEU   7           HA       LEU   7   5.555  -2.820   0.832
   66   1HB   LEU   7           HB2      LEU   7   6.431  -2.847   3.721
   67   2HB   LEU   7           HB1      LEU   7   7.270  -1.981   2.441
   68    HG   LEU   7           HG       LEU   7   4.390  -1.441   2.451
   69   1HD1  LEU   7          HD11      LEU   7   6.060  -0.802   4.904
   70   2HD1  LEU   7          HD13      LEU   7   4.545   0.009   4.523
   71   3HD1  LEU   7          HD12      LEU   7   4.558  -1.720   4.854
   72   1HD2  LEU   7          HD22      LEU   7   6.857   0.313   2.724
   73   2HD2  LEU   7          HD21      LEU   7   6.093  -0.139   1.204
   74   3HD2  LEU   7          HD23      LEU   7   5.234   0.884   2.351
   75    H    ASN   8           HN       ASN   8   6.755  -4.015  -0.480
   76    HA   ASN   8           HA       ASN   8   8.335  -6.261   0.682
   77   1HB   ASN   8           HB2      ASN   8   6.778  -5.906  -1.734
   78   2HB   ASN   8           HB1      ASN   8   8.419  -6.370  -2.135
   79   1HD2  ASN   8          HD22      ASN   8   5.983  -9.204  -1.034
   80   2HD2  ASN   8          HD21      ASN   8   5.564  -7.748  -1.784
   81    H    GLY   9           HN       GLY   9   9.191  -3.591   1.016
   82   1HA   GLY   9           HA2      GLY   9  10.985  -2.607  -0.917
   83   2HA   GLY   9           HA1      GLY   9  11.172  -2.343   0.808
   84    H    LYS  10           HN       LYS  10  13.009  -3.098  -1.530
   85    HA   LYS  10           HA       LYS  10  14.040  -5.725  -0.948
   86   1HB   LYS  10           HB2      LYS  10  14.418  -4.124  -3.021
   87   2HB   LYS  10           HB1      LYS  10  15.782  -3.554  -2.066
   88   1HG   LYS  10           HG2      LYS  10  16.640  -5.858  -1.884
   89   2HG   LYS  10           HG1      LYS  10  15.257  -6.459  -2.792
   90   1HD   LYS  10           HD2      LYS  10  16.831  -4.258  -4.045
   91   2HD   LYS  10           HD1      LYS  10  17.593  -5.843  -3.983
   92   1HE   LYS  10           HE2      LYS  10  14.756  -5.486  -4.967
   93   2HE   LYS  10           HE1      LYS  10  16.132  -5.327  -6.050
   94   1HZ   LYS  10           HZ1      LYS  10  16.228  -7.680  -4.405
   95   2HZ   LYS  10           HZ3      LYS  10  14.884  -7.637  -5.443
   96   3HZ   LYS  10           HZ2      LYS  10  16.454  -7.512  -6.079
   97    H    THR  11           HN       THR  11  14.261  -2.717   0.593
   98    HA   THR  11           HA       THR  11  16.389  -3.769   2.397
   99    HB   THR  11           HB       THR  11  16.826  -1.126   2.618
  100    HG1  THR  11           HG1      THR  11  15.036  -1.433   0.698
  101   1HG2  THR  11          HG23      THR  11  17.820  -3.142   0.644
  102   2HG2  THR  11          HG22      THR  11  18.193  -1.454   0.309
  103   3HG2  THR  11          HG21      THR  11  18.737  -2.195   1.812
  104    H    LEU  12           HN       LEU  12  13.227  -2.842   2.082
  105    HA   LEU  12           HA       LEU  12  12.960  -2.575   5.016
  106   1HB   LEU  12           HB2      LEU  12  13.315  -0.246   3.998
  107   2HB   LEU  12           HB1      LEU  12  11.727  -0.450   3.265
  108    HG   LEU  12           HG       LEU  12  11.078  -1.158   5.766
  109   1HD1  LEU  12          HD11      LEU  12  13.603  -0.739   6.332
  110   2HD1  LEU  12          HD13      LEU  12  13.152   0.962   6.303
  111   3HD1  LEU  12          HD12      LEU  12  12.377  -0.134   7.442
  112   1HD2  LEU  12          HD21      LEU  12  11.442   1.677   4.740
  113   2HD2  LEU  12          HD23      LEU  12  10.013   0.666   4.547
  114   3HD2  LEU  12          HD22      LEU  12  10.467   1.254   6.144
  115    H    LYS  13           HN       LYS  13  11.653  -4.330   5.191
  116    HA   LYS  13           HA       LYS  13   9.219  -4.445   3.467
  117   1HB   LYS  13           HB2      LYS  13  10.524  -6.563   5.189
  118   2HB   LYS  13           HB1      LYS  13   9.055  -6.802   4.252
  119   1HG   LYS  13           HG2      LYS  13  10.192  -6.550   2.189
  120   2HG   LYS  13           HG1      LYS  13  11.581  -5.779   2.948
  121   1HD   LYS  13           HD2      LYS  13  11.992  -8.179   2.295
  122   2HD   LYS  13           HD1      LYS  13  12.234  -7.863   4.010
  123   1HE   LYS  13           HE2      LYS  13  10.151  -8.853   4.597
  124   2HE   LYS  13           HE1      LYS  13   9.570  -8.807   2.937
  125   1HZ   LYS  13           HZ2      LYS  13  11.831 -10.464   3.905
  126   2HZ   LYS  13           HZ1      LYS  13  10.254 -11.028   3.623
  127   3HZ   LYS  13           HZ3      LYS  13  11.194 -10.455   2.330
  128    H    GLY  14           HN       GLY  14   7.190  -4.395   4.354
  129   1HA   GLY  14           HA2      GLY  14   6.739  -4.688   7.211
  130   2HA   GLY  14           HA1      GLY  14   6.659  -3.005   6.699
  131    H    GLU  15           HN       GLU  15   4.410  -3.132   7.405
  132    HA   GLU  15           HA       GLU  15   2.591  -3.498   5.239
  133   1HB   GLU  15           HB2      GLU  15   1.274  -5.389   6.467
  134   2HB   GLU  15           HB1      GLU  15   2.661  -5.831   5.478
  135   1HG   GLU  15           HG2      GLU  15   3.958  -6.375   7.304
  136   2HG   GLU  15           HG1      GLU  15   3.227  -5.137   8.323
  137    H    THR  16           HN       THR  16   0.903  -2.191   5.649
  138    HA   THR  16           HA       THR  16  -0.002  -1.824   8.454
  139    HB   THR  16           HB       THR  16   1.741  -0.016   7.896
  140    HG1  THR  16           HG1      THR  16   0.340   0.479   9.484
  141   1HG2  THR  16          HG23      THR  16   0.397   0.218   5.511
  142   2HG2  THR  16          HG22      THR  16  -0.414   1.448   6.472
  143   3HG2  THR  16          HG21      THR  16   1.328   1.527   6.229
  144    H    THR  17           HN       THR  17  -1.967  -0.181   8.367
  145    HA   THR  17           HA       THR  17  -3.608  -0.830   5.942
  146    HB   THR  17           HB       THR  17  -5.455  -1.504   7.283
  147    HG1  THR  17           HG1      THR  17  -5.733  -0.561   9.204
  148   1HG2  THR  17          HG22      THR  17  -3.143  -2.864   7.729
  149   2HG2  THR  17          HG21      THR  17  -3.433  -2.248   9.350
  150   3HG2  THR  17          HG23      THR  17  -4.638  -3.263   8.564
  151    H    THR  18           HN       THR  18  -4.918   0.778   5.193
  152    HA   THR  18           HA       THR  18  -5.032   3.318   6.767
  153    HB   THR  18           HB       THR  18  -3.313   3.270   4.765
  154    HG1  THR  18           HG1      THR  18  -5.426   5.103   5.261
  155   1HG2  THR  18          HG21      THR  18  -5.347   2.397   3.248
  156   2HG2  THR  18          HG23      THR  18  -5.751   4.109   3.219
  157   3HG2  THR  18          HG22      THR  18  -4.194   3.561   2.608
  158    H    GLU  19           HN       GLU  19  -6.912   4.531   6.508
  159    HA   GLU  19           HA       GLU  19  -9.223   2.996   5.525
  160   1HB   GLU  19           HB2      GLU  19  -9.397   4.193   7.661
  161   2HB   GLU  19           HB1      GLU  19  -9.053   5.715   6.850
  162   1HG   GLU  19           HG2      GLU  19 -11.235   4.240   5.564
  163   2HG   GLU  19           HG1      GLU  19 -11.588   4.630   7.245
  164    H    ALA  20           HN       ALA  20 -10.048   3.217   3.553
  165    HA   ALA  20           HA       ALA  20  -9.774   5.830   2.149
  166   1HB   ALA  20           HB1      ALA  20  -8.403   3.371   1.461
  167   2HB   ALA  20           HB3      ALA  20  -9.467   3.879   0.152
  168   3HB   ALA  20           HB2      ALA  20  -8.226   4.973   0.754
  169    H    VAL  21           HN       VAL  21 -11.387   6.214   0.577
  170    HA   VAL  21           HA       VAL  21 -13.840   4.624   1.030
  171    HB   VAL  21           HB       VAL  21 -14.124   7.014   1.167
  172   1HG1  VAL  21          HG13      VAL  21 -12.823   7.038  -1.579
  173   2HG1  VAL  21          HG12      VAL  21 -13.585   8.439  -0.834
  174   3HG1  VAL  21          HG11      VAL  21 -12.158   7.717  -0.098
  175   1HG2  VAL  21          HG22      VAL  21 -15.713   5.438  -0.307
  176   2HG2  VAL  21          HG21      VAL  21 -15.998   7.172  -0.189
  177   3HG2  VAL  21          HG23      VAL  21 -15.167   6.509  -1.594
  178    H    ASP  22           HN       ASP  22 -11.407   5.103  -1.366
  179    HA   ASP  22           HA       ASP  22 -12.791   3.132  -3.099
  180   1HB   ASP  22           HB2      ASP  22 -12.664   4.450  -5.068
  181   2HB   ASP  22           HB1      ASP  22 -13.291   5.547  -3.841
  182    H    ALA  23           HN       ALA  23 -11.297   2.387  -4.883
  183    HA   ALA  23           HA       ALA  23  -8.772   1.606  -3.709
  184   1HB   ALA  23           HB2      ALA  23 -10.219   1.101  -6.253
  185   2HB   ALA  23           HB1      ALA  23  -8.472   0.883  -6.286
  186   3HB   ALA  23           HB3      ALA  23  -9.454  -0.040  -5.152
  187    H    ALA  24           HN       ALA  24  -9.769   4.113  -5.918
  188    HA   ALA  24           HA       ALA  24  -7.179   4.728  -6.994
  189   1HB   ALA  24           HB1      ALA  24  -9.710   5.614  -7.488
  190   2HB   ALA  24           HB3      ALA  24  -9.040   6.991  -6.617
  191   3HB   ALA  24           HB2      ALA  24  -8.257   6.412  -8.084
  192    H    THR  25           HN       THR  25  -9.027   6.450  -4.475
  193    HA   THR  25           HA       THR  25  -6.879   8.117  -3.656
  194    HB   THR  25           HB       THR  25  -9.396   8.281  -2.997
  195    HG1  THR  25           HG1      THR  25  -8.107   9.749  -2.088
  196   1HG2  THR  25          HG22      THR  25  -9.040   5.880  -1.779
  197   2HG2  THR  25          HG21      THR  25  -8.519   6.941  -0.473
  198   3HG2  THR  25          HG23      THR  25 -10.141   7.093  -1.138
  199    H    ALA  26           HN       ALA  26  -7.547   4.784  -3.014
  200    HA   ALA  26           HA       ALA  26  -5.957   4.509  -0.631
  201   1HB   ALA  26           HB2      ALA  26  -7.585   2.788  -1.417
  202   2HB   ALA  26           HB1      ALA  26  -6.509   2.424  -2.763
  203   3HB   ALA  26           HB3      ALA  26  -5.988   2.111  -1.110
  204    H    GLU  27           HN       GLU  27  -5.235   4.266  -4.082
  205    HA   GLU  27           HA       GLU  27  -2.545   3.364  -3.867
  206   1HB   GLU  27           HB2      GLU  27  -4.126   4.870  -5.908
  207   2HB   GLU  27           HB1      GLU  27  -2.376   4.871  -6.069
  208   1HG   GLU  27           HG2      GLU  27  -2.375   2.388  -5.985
  209   2HG   GLU  27           HG1      GLU  27  -4.129   2.403  -5.851
  210    H    LYS  28           HN       LYS  28  -3.857   6.647  -4.072
  211    HA   LYS  28           HA       LYS  28  -1.329   7.974  -3.753
  212   1HB   LYS  28           HB2      LYS  28  -4.166   8.884  -3.241
  213   2HB   LYS  28           HB1      LYS  28  -2.774   9.959  -3.175
  214   1HG   LYS  28           HG2      LYS  28  -2.284   9.643  -5.491
  215   2HG   LYS  28           HG1      LYS  28  -3.337   8.238  -5.602
  216   1HD   LYS  28           HD2      LYS  28  -4.828  10.561  -4.668
  217   2HD   LYS  28           HD1      LYS  28  -4.025  10.907  -6.193
  218   1HE   LYS  28           HE2      LYS  28  -5.004   8.905  -7.208
  219   2HE   LYS  28           HE1      LYS  28  -5.737   8.457  -5.675
  220   1HZ   LYS  28           HZ3      LYS  28  -6.427  11.112  -6.384
  221   2HZ   LYS  28           HZ2      LYS  28  -6.832  10.038  -7.635
  222   3HZ   LYS  28           HZ1      LYS  28  -7.440   9.785  -6.070
  223    H    VAL  29           HN       VAL  29  -3.914   7.178  -1.463
  224    HA   VAL  29           HA       VAL  29  -2.829   8.391   0.840
  225    HB   VAL  29           HB       VAL  29  -4.430   5.835   0.583
  226   1HG1  VAL  29          HG13      VAL  29  -3.613   7.494   2.981
  227   2HG1  VAL  29          HG12      VAL  29  -5.008   6.420   3.017
  228   3HG1  VAL  29          HG11      VAL  29  -3.398   5.763   2.743
  229   1HG2  VAL  29          HG22      VAL  29  -5.155   8.417  -0.010
  230   2HG2  VAL  29          HG21      VAL  29  -6.282   7.177   0.531
  231   3HG2  VAL  29          HG23      VAL  29  -5.603   8.314   1.690
  232    H    PHE  30           HN       PHE  30  -2.422   5.006  -0.212
  233    HA   PHE  30           HA       PHE  30  -0.464   4.415   1.810
  234   1HB   PHE  30           HB2      PHE  30  -1.378   3.077  -0.710
  235   2HB   PHE  30           HB1      PHE  30   0.109   2.519   0.049
  236    HD1  PHE  30           HD1      PHE  30  -0.156   2.339   2.779
  237    HD2  PHE  30           HD2      PHE  30  -3.313   1.939  -0.059
  238    HE1  PHE  30           HE1      PHE  30  -1.487   1.086   4.422
  239    HE2  PHE  30           HE2      PHE  30  -4.615   0.677   1.586
  240    HZ   PHE  30           HZ       PHE  30  -3.702   0.221   3.816
  241    H    LYS  31           HN       LYS  31  -0.209   5.410  -1.581
  242    HA   LYS  31           HA       LYS  31   2.601   5.181  -1.847
  243   1HB   LYS  31           HB2      LYS  31   1.087   5.678  -3.737
  244   2HB   LYS  31           HB1      LYS  31   0.793   7.280  -3.064
  245   1HG   LYS  31           HG2      LYS  31   3.079   7.935  -3.380
  246   2HG   LYS  31           HG1      LYS  31   3.576   6.280  -3.717
  247   1HD   LYS  31           HD2      LYS  31   2.606   6.283  -5.850
  248   2HD   LYS  31           HD1      LYS  31   1.487   7.581  -5.447
  249   1HE   LYS  31           HE2      LYS  31   3.257   9.220  -5.474
  250   2HE   LYS  31           HE1      LYS  31   4.490   7.970  -5.587
  251   1HZ   LYS  31           HZ3      LYS  31   2.510   7.863  -7.674
  252   2HZ   LYS  31           HZ2      LYS  31   3.434   9.288  -7.675
  253   3HZ   LYS  31           HZ1      LYS  31   4.202   7.776  -7.773
  254    H    GLN  32           HN       GLN  32   0.621   7.731  -0.456
  255    HA   GLN  32           HA       GLN  32   2.765   9.603  -0.038
  256   1HB   GLN  32           HB2      GLN  32   0.298  10.134   0.070
  257   2HB   GLN  32           HB1      GLN  32   0.248   9.306   1.621
  258   1HG   GLN  32           HG2      GLN  32   2.059  10.861   2.436
  259   2HG   GLN  32           HG1      GLN  32   1.912  11.748   0.921
  260   1HE2  GLN  32          HE22      GLN  32  -0.951  12.148   3.804
  261   2HE2  GLN  32          HE21      GLN  32   0.269  10.977   3.958
  262    OH   TYR  33           OH       TYR  33   4.588   2.748   8.124
  263    H    TYR  33           HN       TYR  33   1.601   6.820   1.692
  264    HA   TYR  33           HA       TYR  33   3.101   7.381   4.126
  265   1HB   TYR  33           HB2      TYR  33   1.099   6.008   4.273
  266   2HB   TYR  33           HB1      TYR  33   1.762   4.863   3.111
  267    HD1  TYR  33           HD1      TYR  33   3.760   3.487   3.736
  268    HD2  TYR  33           HD2      TYR  33   1.789   5.956   6.583
  269    HE1  TYR  33           HE1      TYR  33   4.873   2.278   5.553
  270    HE2  TYR  33           HE2      TYR  33   2.902   4.746   8.402
  271    HH   TYR  33           HH       TYR  33   3.925   2.526   8.781
  272    H    ALA  34           HN       ALA  34   3.405   4.936   1.567
  273    HA   ALA  34           HA       ALA  34   5.845   3.800   2.324
  274   1HB   ALA  34           HB2      ALA  34   4.197   3.675   0.082
  275   2HB   ALA  34           HB1      ALA  34   5.733   4.252  -0.556
  276   3HB   ALA  34           HB3      ALA  34   5.664   2.736   0.337
  277    H    ASN  35           HN       ASN  35   5.220   6.870   0.778
  278    HA   ASN  35           HA       ASN  35   7.868   7.495  -0.064
  279   1HB   ASN  35           HB2      ASN  35   5.908   8.827  -0.734
  280   2HB   ASN  35           HB1      ASN  35   5.694   9.359   0.931
  281   1HD2  ASN  35          HD22      ASN  35   8.343  11.717   0.815
  282   2HD2  ASN  35          HD21      ASN  35   7.278  10.861   1.822
  283    H    ASP  36           HN       ASP  36   6.209   8.024   3.015
  284    HA   ASP  36           HA       ASP  36   8.441   9.376   4.263
  285   1HB   ASP  36           HB2      ASP  36   6.065   7.936   5.476
  286   2HB   ASP  36           HB1      ASP  36   7.186   8.957   6.374
  287    H    ASN  37           HN       ASN  37   8.374   6.396   3.095
  288    HA   ASN  37           HA       ASN  37  10.096   5.287   5.284
  289   1HB   ASN  37           HB2      ASN  37   8.117   3.858   3.496
  290   2HB   ASN  37           HB1      ASN  37   9.310   3.019   4.483
  291   1HD2  ASN  37          HD22      ASN  37   5.980   4.574   6.209
  292   2HD2  ASN  37          HD21      ASN  37   6.274   4.749   4.547
  293    H    GLY  38           HN       GLY  38   9.647   5.908   1.918
  294   1HA   GLY  38           HA2      GLY  38  11.441   6.082   0.335
  295   2HA   GLY  38           HA1      GLY  38  12.465   5.161   1.433
  296    H    VAL  39           HN       VAL  39   9.224   4.292   0.356
  297    HA   VAL  39           HA       VAL  39  10.398   1.988  -1.161
  298    HB   VAL  39           HB       VAL  39   7.861   1.924   0.490
  299   1HG1  VAL  39          HG13      VAL  39   9.471  -0.171  -1.002
  300   2HG1  VAL  39          HG12      VAL  39   8.195  -0.565   0.146
  301   3HG1  VAL  39          HG11      VAL  39   7.812   0.322  -1.326
  302   1HG2  VAL  39          HG21      VAL  39  10.624   0.812   1.092
  303   2HG2  VAL  39          HG23      VAL  39   9.866   2.167   1.924
  304   3HG2  VAL  39          HG22      VAL  39   9.183   0.550   2.070
  305    H    ASP  40           HN       ASP  40  10.087   2.752  -3.212
  306    HA   ASP  40           HA       ASP  40   7.268   2.994  -4.084
  307   1HB   ASP  40           HB2      ASP  40   9.265   5.201  -4.084
  308   2HB   ASP  40           HB1      ASP  40   8.238   5.053  -5.508
  309    H    GLY  41           HN       GLY  41   6.937   2.373  -6.193
  310   1HA   GLY  41           HA2      GLY  41   8.687   2.274  -8.338
  311   2HA   GLY  41           HA1      GLY  41   9.062   0.812  -7.428
  312    H    GLU  42           HN       GLU  42   7.650  -0.896  -7.481
  313    HA   GLU  42           HA       GLU  42   5.462  -0.687  -9.481
  314   1HB   GLU  42           HB2      GLU  42   6.567  -3.141  -8.116
  315   2HB   GLU  42           HB1      GLU  42   5.515  -3.110  -9.523
  316   1HG   GLU  42           HG2      GLU  42   7.330  -2.958 -10.861
  317   2HG   GLU  42           HG1      GLU  42   7.759  -1.432 -10.093
  318    CH2  TRP  43           CH2      TRP  43   2.078   2.597  -2.255
  319    H    TRP  43           HN       TRP  43   3.366  -0.767  -8.906
  320    HA   TRP  43           HA       TRP  43   2.740  -1.354  -6.033
  321   1HB   TRP  43           HB2      TRP  43   1.693   0.707  -7.943
  322   2HB   TRP  43           HB1      TRP  43   0.731   0.201  -6.565
  323    HD1  TRP  43           HD1      TRP  43   4.316   1.436  -7.326
  324    HE1  TRP  43           HE1      TRP  43   5.028   2.828  -5.323
  325    HE3  TRP  43           HE3      TRP  43   0.349   0.701  -4.418
  326    HZ2  TRP  43           HZ2      TRP  43   3.989   3.469  -2.624
  327    HZ3  TRP  43           HZ3      TRP  43   0.190   1.609  -2.156
  328    HH2  TRP  43           HH2      TRP  43   2.005   2.995  -1.253
  329    H    THR  44           HN       THR  44   1.165  -2.768  -5.587
  330    HA   THR  44           HA       THR  44  -0.421  -3.873  -7.877
  331    HB   THR  44           HB       THR  44  -0.287  -6.083  -6.466
  332    HG1  THR  44           HG1      THR  44   2.135  -5.305  -5.572
  333   1HG2  THR  44          HG22      THR  44   1.803  -4.801  -8.166
  334   2HG2  THR  44          HG21      THR  44   2.350  -6.147  -7.170
  335   3HG2  THR  44          HG23      THR  44   1.054  -6.385  -8.338
  336    OH   TYR  45           OH       TYR  45  -8.905  -1.425  -3.043
  337    H    TYR  45           HN       TYR  45  -2.386  -5.062  -7.122
  338    HA   TYR  45           HA       TYR  45  -3.540  -3.993  -4.592
  339   1HB   TYR  45           HB2      TYR  45  -4.097  -2.569  -6.686
  340   2HB   TYR  45           HB1      TYR  45  -5.091  -3.935  -7.192
  341    HD1  TYR  45           HD1      TYR  45  -6.578  -4.831  -4.861
  342    HD2  TYR  45           HD2      TYR  45  -5.399  -0.865  -5.832
  343    HE1  TYR  45           HE1      TYR  45  -8.336  -3.955  -3.419
  344    HE2  TYR  45           HE2      TYR  45  -7.212   0.004  -4.445
  345    HH   TYR  45           HH       TYR  45  -9.604  -1.107  -3.619
  346    H    ASP  46           HN       ASP  46  -4.511  -5.603  -3.507
  347    HA   ASP  46           HA       ASP  46  -5.189  -8.107  -4.989
  348   1HB   ASP  46           HB2      ASP  46  -3.585  -8.084  -2.960
  349   2HB   ASP  46           HB1      ASP  46  -5.036  -7.835  -1.993
  350    H    ASP  47           HN       ASP  47  -7.173  -6.927  -5.717
  351    HA   ASP  47           HA       ASP  47  -9.199  -6.124  -3.852
  352   1HB   ASP  47           HB2      ASP  47  -9.162  -5.467  -6.257
  353   2HB   ASP  47           HB1      ASP  47  -9.573  -7.126  -6.687
  354    H    ALA  48           HN       ALA  48  -7.913  -9.081  -4.180
  355    HA   ALA  48           HA       ALA  48 -10.386 -10.663  -4.118
  356   1HB   ALA  48           HB3      ALA  48  -7.842 -11.255  -4.880
  357   2HB   ALA  48           HB2      ALA  48  -7.850 -11.915  -3.247
  358   3HB   ALA  48           HB1      ALA  48  -9.030 -12.473  -4.427
  359    H    THR  49           HN       THR  49  -8.233  -9.164  -1.862
  360    HA   THR  49           HA       THR  49  -9.954 -10.125   0.359
  361    HB   THR  49           HB       THR  49  -7.670 -10.445   1.675
  362    HG1  THR  49           HG1      THR  49  -6.332 -11.369  -0.266
  363   1HG2  THR  49          HG23      THR  49  -8.635 -12.362  -0.486
  364   2HG2  THR  49          HG22      THR  49  -7.450 -12.789   0.742
  365   3HG2  THR  49          HG21      THR  49  -9.100 -12.392   1.213
  366    H    LYS  50           HN       LYS  50  -9.210  -7.552  -1.137
  367    HA   LYS  50           HA       LYS  50  -8.841  -5.298  -0.589
  368   1HB   LYS  50           HB2      LYS  50  -9.856  -6.314   2.081
  369   2HB   LYS  50           HB1      LYS  50  -9.705  -4.614   1.648
  370   1HG   LYS  50           HG2      LYS  50 -11.633  -4.670   0.467
  371   2HG   LYS  50           HG1      LYS  50 -11.116  -6.101  -0.419
  372   1HD   LYS  50           HD2      LYS  50 -11.812  -7.539   1.445
  373   2HD   LYS  50           HD1      LYS  50 -12.258  -6.126   2.395
  374   1HE   LYS  50           HE2      LYS  50 -13.824  -5.513   0.447
  375   2HE   LYS  50           HE1      LYS  50 -13.551  -7.147  -0.143
  376   1HZ   LYS  50           HZ3      LYS  50 -14.128  -7.493   2.489
  377   2HZ   LYS  50           HZ2      LYS  50 -15.178  -6.244   2.023
  378   3HZ   LYS  50           HZ1      LYS  50 -15.201  -7.726   1.194
  379    H    THR  51           HN       THR  51  -6.525  -6.383  -0.768
  380    HA   THR  51           HA       THR  51  -5.001  -5.395   1.602
  381    HB   THR  51           HB       THR  51  -4.841  -8.135   0.316
  382    HG1  THR  51           HG1      THR  51  -5.713  -8.399   2.220
  383   1HG2  THR  51          HG23      THR  51  -2.698  -6.788   2.006
  384   2HG2  THR  51          HG22      THR  51  -2.732  -8.489   1.573
  385   3HG2  THR  51          HG21      THR  51  -2.486  -7.270   0.329
  386    H    PHE  52           HN       PHE  52  -3.653  -3.817   0.876
  387    HA   PHE  52           HA       PHE  52  -3.022  -3.650  -1.976
  388   1HB   PHE  52           HB2      PHE  52  -2.969  -1.877   0.307
  389   2HB   PHE  52           HB1      PHE  52  -1.475  -1.777  -0.614
  390    HD1  PHE  52           HD1      PHE  52  -1.525  -1.124  -3.022
  391    HD2  PHE  52           HD2      PHE  52  -5.071  -1.236  -0.696
  392    HE1  PHE  52           HE1      PHE  52  -2.727   0.130  -4.768
  393    HE2  PHE  52           HE2      PHE  52  -6.221   0.136  -2.350
  394    HZ   PHE  52           HZ       PHE  52  -5.040   0.859  -4.370
  395    H    THR  53           HN       THR  53  -0.721  -3.330  -2.659
  396    HA   THR  53           HA       THR  53   1.353  -4.426  -0.917
  397    HB   THR  53           HB       THR  53   0.396  -6.005  -3.334
  398    HG1  THR  53           HG1      THR  53   0.435  -7.522  -1.389
  399   1HG2  THR  53          HG23      THR  53   3.005  -5.862  -2.013
  400   2HG2  THR  53          HG22      THR  53   2.275  -7.453  -1.820
  401   3HG2  THR  53          HG21      THR  53   2.544  -6.797  -3.432
  402    H    VAL  54           HN       VAL  54   3.348  -3.748  -1.538
  403    HA   VAL  54           HA       VAL  54   3.685  -2.691  -4.301
  404    HB   VAL  54           HB       VAL  54   3.016  -0.806  -2.758
  405   1HG1  VAL  54          HG12      VAL  54   4.229  -1.852  -0.786
  406   2HG1  VAL  54          HG11      VAL  54   5.729  -1.270  -1.500
  407   3HG1  VAL  54          HG13      VAL  54   4.487  -0.128  -0.998
  408   1HG2  VAL  54          HG21      VAL  54   5.799  -0.797  -3.959
  409   2HG2  VAL  54          HG23      VAL  54   4.315  -0.235  -4.709
  410   3HG2  VAL  54          HG22      VAL  54   5.007   0.648  -3.355
  411    H    THR  55           HN       THR  55   5.873  -2.646  -4.973
  412    HA   THR  55           HA       THR  55   7.873  -3.815  -3.105
  413    HB   THR  55           HB       THR  55   7.279  -4.984  -5.859
  414    HG1  THR  55           HG1      THR  55   6.545  -6.689  -4.521
  415   1HG2  THR  55          HG21      THR  55   9.487  -5.285  -3.897
  416   2HG2  THR  55          HG23      THR  55   8.738  -6.799  -4.396
  417   3HG2  THR  55          HG22      THR  55   9.446  -5.728  -5.597
  418    H    GLU  56           HN       GLU  56   9.595  -2.510  -3.182
  419    HA   GLU  56           HA       GLU  56  10.002  -0.492  -5.148
  420   1HB   GLU  56           HB2      GLU  56  11.165  -1.162  -2.728
  421   2HB   GLU  56           HB1      GLU  56  12.468  -1.429  -3.877
  422   1HG   GLU  56           HG2      GLU  56  11.881   0.872  -4.852
  423   2HG   GLU  56           HG1      GLU  56  10.880   1.113  -3.421
   
  Start of MODEL          34
 Raw file had 423 H/Q atoms
  Entry Start of MODEL   34
    1   1H    MET   1           HT3      MET   1 -13.250   1.830   4.626
    2   2H    MET   1           HT2      MET   1 -13.663   2.274   3.038
    3   3H    MET   1           HT1      MET   1 -14.718   1.303   3.951
    4    HA   MET   1           HA       MET   1 -13.430  -0.569   3.748
    5   1HB   MET   1           HB2      MET   1 -12.911   1.004   1.210
    6   2HB   MET   1           HB1      MET   1 -12.779  -0.743   1.370
    7   1HG   MET   1           HG2      MET   1 -15.297   0.053   2.435
    8   2HG   MET   1           HG1      MET   1 -15.113   0.850   0.896
    9   1HE   MET   1           HE3      MET   1 -15.556  -0.031  -1.250
   10   2HE   MET   1           HE2      MET   1 -16.641  -1.415  -1.387
   11   3HE   MET   1           HE1      MET   1 -17.047  -0.080  -0.311
   12    H    THR   2           HN       THR   2 -11.700  -0.755   5.102
   13    HA   THR   2           HA       THR   2  -9.206   0.712   4.459
   14    HB   THR   2           HB       THR   2  -9.746  -1.163   6.796
   15    HG1  THR   2           HG1      THR   2 -10.932   0.477   7.409
   16   1HG2  THR   2          HG22      THR   2  -7.348  -0.059   5.930
   17   2HG2  THR   2          HG21      THR   2  -7.951   1.160   7.046
   18   3HG2  THR   2          HG23      THR   2  -7.703  -0.490   7.599
   19    OH   TYR   3           OH       TYR   3 -11.433   0.425  -1.011
   20    H    TYR   3           HN       TYR   3  -7.620  -0.194   3.313
   21    HA   TYR   3           HA       TYR   3  -7.719  -3.146   2.864
   22   1HB   TYR   3           HB2      TYR   3  -6.005  -1.203   1.334
   23   2HB   TYR   3           HB1      TYR   3  -6.552  -2.795   0.840
   24    HD1  TYR   3           HD1      TYR   3  -7.816   0.613   1.706
   25    HD2  TYR   3           HD2      TYR   3  -8.570  -3.020  -0.360
   26    HE1  TYR   3           HE1      TYR   3  -9.807   1.608   0.680
   27    HE2  TYR   3           HE2      TYR   3 -10.556  -2.024  -1.396
   28    HH   TYR   3           HH       TYR   3 -12.190  -0.125  -0.795
   29    H    LYS   4           HN       LYS   4  -5.519  -4.177   2.623
   30    HA   LYS   4           HA       LYS   4  -3.749  -3.215   4.843
   31   1HB   LYS   4           HB2      LYS   4  -4.971  -5.512   4.920
   32   2HB   LYS   4           HB1      LYS   4  -3.786  -6.017   3.733
   33   1HG   LYS   4           HG2      LYS   4  -1.958  -5.361   5.259
   34   2HG   LYS   4           HG1      LYS   4  -3.141  -4.852   6.452
   35   1HD   LYS   4           HD2      LYS   4  -3.963  -7.088   6.736
   36   2HD   LYS   4           HD1      LYS   4  -3.074  -7.658   5.329
   37   1HE   LYS   4           HE2      LYS   4  -1.027  -7.626   6.440
   38   2HE   LYS   4           HE1      LYS   4  -1.541  -6.378   7.567
   39   1HZ   LYS   4           HZ3      LYS   4  -2.973  -7.993   8.648
   40   2HZ   LYS   4           HZ2      LYS   4  -2.464  -9.197   7.564
   41   3HZ   LYS   4           HZ1      LYS   4  -1.356  -8.511   8.654
   42    H    LEU   5           HN       LEU   5  -1.896  -2.320   4.110
   43    HA   LEU   5           HA       LEU   5  -0.940  -2.988   1.409
   44   1HB   LEU   5           HB2      LEU   5  -0.787  -0.665   2.014
   45   2HB   LEU   5           HB1      LEU   5  -0.002  -1.038   3.541
   46    HG   LEU   5           HG       LEU   5   1.998  -1.903   2.208
   47   1HD1  LEU   5          HD11      LEU   5   0.447  -0.653  -0.082
   48   2HD1  LEU   5          HD13      LEU   5   2.120  -1.183  -0.171
   49   3HD1  LEU   5          HD12      LEU   5   0.840  -2.361   0.076
   50   1HD2  LEU   5          HD22      LEU   5   1.744   0.459   3.142
   51   2HD2  LEU   5          HD21      LEU   5   2.890   0.272   1.819
   52   3HD2  LEU   5          HD23      LEU   5   1.295   0.948   1.513
   53    H    ILE   6           HN       ILE   6   1.070  -3.925   0.960
   54    HA   ILE   6           HA       ILE   6   2.476  -5.224   3.211
   55    HB   ILE   6           HB       ILE   6   1.736  -6.377   0.524
   56   1HG1  ILE   6          HG12      ILE   6   1.416  -7.680   3.212
   57   2HG1  ILE   6          HG11      ILE   6   0.274  -6.438   2.727
   58   1HG2  ILE   6          HG22      ILE   6   3.982  -7.007   2.381
   59   2HG2  ILE   6          HG21      ILE   6   3.093  -8.379   1.735
   60   3HG2  ILE   6          HG23      ILE   6   3.870  -7.243   0.640
   61   1HD1  ILE   6           HD2      ILE   6   0.933  -8.907   1.083
   62   2HD1  ILE   6           HD1      ILE   6  -0.498  -8.724   2.088
   63   3HD1  ILE   6           HD3      ILE   6  -0.268  -7.687   0.688
   64    H    LEU   7           HN       LEU   7   4.285  -4.022   3.355
   65    HA   LEU   7           HA       LEU   7   5.565  -2.889   0.993
   66   1HB   LEU   7           HB2      LEU   7   6.162  -2.886   3.930
   67   2HB   LEU   7           HB1      LEU   7   7.362  -2.308   2.783
   68    HG   LEU   7           HG       LEU   7   4.591  -1.291   2.398
   69   1HD1  LEU   7          HD12      LEU   7   6.352  -0.518   4.747
   70   2HD1  LEU   7          HD11      LEU   7   5.010   0.466   4.170
   71   3HD1  LEU   7          HD13      LEU   7   4.707  -1.144   4.817
   72   1HD2  LEU   7          HD21      LEU   7   6.578  -0.618   1.022
   73   2HD2  LEU   7          HD23      LEU   7   5.824   0.747   1.840
   74   3HD2  LEU   7          HD22      LEU   7   7.313   0.055   2.473
   75    H    ASN   8           HN       ASN   8   6.689  -4.130  -0.347
   76    HA   ASN   8           HA       ASN   8   8.313  -6.357   0.795
   77   1HB   ASN   8           HB2      ASN   8   6.673  -6.028  -1.586
   78   2HB   ASN   8           HB1      ASN   8   8.281  -6.580  -1.999
   79   1HD2  ASN   8          HD22      ASN   8   5.780  -9.287  -0.803
   80   2HD2  ASN   8          HD21      ASN   8   5.433  -7.868  -1.655
   81    H    GLY   9           HN       GLY   9   9.168  -3.675   1.007
   82   1HA   GLY   9           HA2      GLY   9  10.901  -2.852  -1.088
   83   2HA   GLY   9           HA1      GLY   9  11.065  -2.351   0.584
   84    H    LYS  10           HN       LYS  10  13.031  -3.206  -1.506
   85    HA   LYS  10           HA       LYS  10  14.098  -5.772  -0.691
   86   1HB   LYS  10           HB2      LYS  10  16.181  -4.887  -1.915
   87   2HB   LYS  10           HB1      LYS  10  14.711  -5.059  -2.868
   88   1HG   LYS  10           HG2      LYS  10  14.247  -2.710  -2.747
   89   2HG   LYS  10           HG1      LYS  10  15.458  -2.465  -1.494
   90   1HD   LYS  10           HD2      LYS  10  17.250  -3.024  -3.071
   91   2HD   LYS  10           HD1      LYS  10  16.067  -3.394  -4.321
   92   1HE   LYS  10           HE2      LYS  10  15.216  -0.995  -4.026
   93   2HE   LYS  10           HE1      LYS  10  16.666  -0.700  -3.075
   94   1HZ   LYS  10           HZ2      LYS  10  16.687  -1.746  -5.847
   95   2HZ   LYS  10           HZ1      LYS  10  16.879  -0.108  -5.444
   96   3HZ   LYS  10           HZ3      LYS  10  18.026  -1.250  -4.929
   97    H    THR  11           HN       THR  11  14.519  -2.476   0.327
   98    HA   THR  11           HA       THR  11  16.676  -3.299   2.209
   99    HB   THR  11           HB       THR  11  16.623  -0.626   2.510
  100    HG1  THR  11           HG1      THR  11  15.766   0.287   0.679
  101   1HG2  THR  11          HG23      THR  11  17.642  -1.982  -0.018
  102   2HG2  THR  11          HG22      THR  11  18.179  -0.418   0.590
  103   3HG2  THR  11          HG21      THR  11  18.540  -1.887   1.493
  104    H    LEU  12           HN       LEU  12  13.372  -2.955   2.105
  105    HA   LEU  12           HA       LEU  12  13.185  -3.021   5.023
  106   1HB   LEU  12           HB2      LEU  12  13.437  -0.557   4.435
  107   2HB   LEU  12           HB1      LEU  12  11.870  -0.678   3.642
  108    HG   LEU  12           HG       LEU  12  11.301  -1.859   6.033
  109   1HD1  LEU  12          HD12      LEU  12  13.626  -1.337   6.834
  110   2HD1  LEU  12          HD11      LEU  12  13.269   0.376   6.635
  111   3HD1  LEU  12          HD13      LEU  12  12.376  -0.579   7.814
  112   1HD2  LEU  12          HD23      LEU  12  11.217   1.051   5.196
  113   2HD2  LEU  12          HD22      LEU  12   9.914  -0.131   5.124
  114   3HD2  LEU  12          HD21      LEU  12  10.462   0.481   6.682
  115    H    LYS  13           HN       LYS  13  11.444  -4.179   5.600
  116    HA   LYS  13           HA       LYS  13   9.208  -4.458   3.623
  117   1HB   LYS  13           HB2      LYS  13  10.098  -6.657   5.489
  118   2HB   LYS  13           HB1      LYS  13   9.054  -6.785   4.080
  119   1HG   LYS  13           HG2      LYS  13  11.003  -7.477   3.075
  120   2HG   LYS  13           HG1      LYS  13  11.244  -5.745   2.891
  121   1HD   LYS  13           HD2      LYS  13  13.261  -6.342   3.888
  122   2HD   LYS  13           HD1      LYS  13  12.311  -5.960   5.317
  123   1HE   LYS  13           HE2      LYS  13  11.702  -8.366   5.529
  124   2HE   LYS  13           HE1      LYS  13  12.704  -8.727   4.130
  125   1HZ   LYS  13           HZ1      LYS  13  13.793  -7.354   6.508
  126   2HZ   LYS  13           HZ3      LYS  13  13.727  -9.048   6.405
  127   3HZ   LYS  13           HZ2      LYS  13  14.636  -8.164   5.275
  128    H    GLY  14           HN       GLY  14   7.146  -4.395   4.447
  129   1HA   GLY  14           HA2      GLY  14   6.589  -4.679   7.281
  130   2HA   GLY  14           HA1      GLY  14   6.571  -2.990   6.781
  131    H    GLU  15           HN       GLU  15   4.299  -3.071   7.411
  132    HA   GLU  15           HA       GLU  15   2.537  -3.372   5.178
  133   1HB   GLU  15           HB2      GLU  15   1.156  -5.249   5.993
  134   2HB   GLU  15           HB1      GLU  15   2.798  -5.784   5.667
  135   1HG   GLU  15           HG2      GLU  15   3.148  -5.124   8.230
  136   2HG   GLU  15           HG1      GLU  15   1.412  -5.411   8.297
  137    H    THR  16           HN       THR  16   0.817  -2.070   5.539
  138    HA   THR  16           HA       THR  16  -0.110  -1.639   8.322
  139    HB   THR  16           HB       THR  16   1.518   0.159   8.136
  140    HG1  THR  16           HG1      THR  16  -1.025   1.159   7.357
  141   1HG2  THR  16          HG23      THR  16   0.966   0.044   5.376
  142   2HG2  THR  16          HG22      THR  16   0.264   1.569   5.902
  143   3HG2  THR  16          HG21      THR  16   1.972   1.247   6.175
  144    H    THR  17           HN       THR  17  -2.205  -0.665   8.451
  145    HA   THR  17           HA       THR  17  -3.764  -0.990   5.921
  146    HB   THR  17           HB       THR  17  -5.617  -1.697   7.234
  147    HG1  THR  17           HG1      THR  17  -5.642  -1.088   9.458
  148   1HG2  THR  17          HG23      THR  17  -3.204  -2.970   7.785
  149   2HG2  THR  17          HG22      THR  17  -3.768  -2.511   9.385
  150   3HG2  THR  17          HG21      THR  17  -4.774  -3.521   8.350
  151    H    THR  18           HN       THR  18  -4.961   0.681   5.138
  152    HA   THR  18           HA       THR  18  -5.112   3.173   6.797
  153    HB   THR  18           HB       THR  18  -3.359   3.155   4.829
  154    HG1  THR  18           HG1      THR  18  -3.655   5.232   5.155
  155   1HG2  THR  18          HG21      THR  18  -5.363   2.343   3.251
  156   2HG2  THR  18          HG23      THR  18  -5.770   4.055   3.270
  157   3HG2  THR  18          HG22      THR  18  -4.202   3.529   2.665
  158    H    GLU  19           HN       GLU  19  -6.937   4.466   6.484
  159    HA   GLU  19           HA       GLU  19  -9.293   3.015   5.488
  160   1HB   GLU  19           HB2      GLU  19  -8.826   5.547   7.031
  161   2HB   GLU  19           HB1      GLU  19 -10.380   5.301   6.243
  162   1HG   GLU  19           HG2      GLU  19 -10.471   4.450   8.548
  163   2HG   GLU  19           HG1      GLU  19 -10.598   3.106   7.417
  164    H    ALA  20           HN       ALA  20 -10.055   3.223   3.478
  165    HA   ALA  20           HA       ALA  20  -9.670   5.807   2.047
  166   1HB   ALA  20           HB1      ALA  20  -8.362   3.299   1.412
  167   2HB   ALA  20           HB3      ALA  20  -9.380   3.831   0.076
  168   3HB   ALA  20           HB2      ALA  20  -8.117   4.889   0.698
  169    H    VAL  21           HN       VAL  21 -11.359   6.367   0.731
  170    HA   VAL  21           HA       VAL  21 -13.843   4.887   1.085
  171    HB   VAL  21           HB       VAL  21 -13.916   7.315   0.990
  172   1HG1  VAL  21          HG12      VAL  21 -12.810   6.982  -1.819
  173   2HG1  VAL  21          HG11      VAL  21 -13.303   8.506  -1.090
  174   3HG1  VAL  21          HG13      VAL  21 -11.921   7.628  -0.445
  175   1HG2  VAL  21          HG21      VAL  21 -15.733   5.799  -0.127
  176   2HG2  VAL  21          HG23      VAL  21 -15.766   7.528  -0.456
  177   3HG2  VAL  21          HG22      VAL  21 -15.084   6.419  -1.642
  178    H    ASP  22           HN       ASP  22 -11.453   5.233  -1.447
  179    HA   ASP  22           HA       ASP  22 -12.787   3.021  -2.911
  180   1HB   ASP  22           HB2      ASP  22 -12.622   4.192  -5.051
  181   2HB   ASP  22           HB1      ASP  22 -13.585   5.148  -3.928
  182    H    ALA  23           HN       ALA  23 -11.298   2.392  -4.851
  183    HA   ALA  23           HA       ALA  23  -8.739   1.677  -3.716
  184   1HB   ALA  23           HB1      ALA  23 -10.162   1.217  -6.287
  185   2HB   ALA  23           HB3      ALA  23  -8.411   1.036  -6.301
  186   3HB   ALA  23           HB2      ALA  23  -9.388   0.059  -5.210
  187    H    ALA  24           HN       ALA  24  -9.836   4.250  -5.792
  188    HA   ALA  24           HA       ALA  24  -7.313   4.978  -6.930
  189   1HB   ALA  24           HB2      ALA  24  -9.694   5.817  -7.526
  190   2HB   ALA  24           HB1      ALA  24  -9.448   6.984  -6.231
  191   3HB   ALA  24           HB3      ALA  24  -8.367   6.970  -7.620
  192    H    THR  25           HN       THR  25  -9.042   6.691  -4.331
  193    HA   THR  25           HA       THR  25  -6.819   8.209  -3.467
  194    HB   THR  25           HB       THR  25  -8.926   8.908  -2.584
  195    HG1  THR  25           HG1      THR  25  -7.783   9.174  -0.817
  196   1HG2  THR  25          HG23      THR  25  -9.344   6.022  -2.305
  197   2HG2  THR  25          HG22      THR  25  -9.732   6.876  -0.817
  198   3HG2  THR  25          HG21      THR  25 -10.545   7.309  -2.318
  199    H    ALA  26           HN       ALA  26  -7.569   4.872  -2.980
  200    HA   ALA  26           HA       ALA  26  -5.939   4.483  -0.622
  201   1HB   ALA  26           HB2      ALA  26  -7.694   2.869  -1.430
  202   2HB   ALA  26           HB1      ALA  26  -6.617   2.440  -2.755
  203   3HB   ALA  26           HB3      ALA  26  -6.141   2.112  -1.092
  204    H    GLU  27           HN       GLU  27  -5.359   4.227  -4.098
  205    HA   GLU  27           HA       GLU  27  -2.694   3.233  -3.969
  206   1HB   GLU  27           HB2      GLU  27  -4.138   4.940  -6.004
  207   2HB   GLU  27           HB1      GLU  27  -2.492   4.379  -6.246
  208   1HG   GLU  27           HG2      GLU  27  -3.339   2.017  -5.850
  209   2HG   GLU  27           HG1      GLU  27  -4.970   2.677  -5.889
  210    H    LYS  28           HN       LYS  28  -4.036   6.441  -3.644
  211    HA   LYS  28           HA       LYS  28  -1.391   7.729  -3.690
  212   1HB   LYS  28           HB2      LYS  28  -2.926   9.209  -4.569
  213   2HB   LYS  28           HB1      LYS  28  -4.236   8.609  -3.563
  214   1HG   LYS  28           HG2      LYS  28  -3.479   9.850  -1.660
  215   2HG   LYS  28           HG1      LYS  28  -1.916  10.181  -2.406
  216   1HD   LYS  28           HD2      LYS  28  -2.786  11.820  -3.803
  217   2HD   LYS  28           HD1      LYS  28  -4.385  11.086  -3.841
  218   1HE   LYS  28           HE2      LYS  28  -4.795  11.801  -1.526
  219   2HE   LYS  28           HE1      LYS  28  -3.174  12.477  -1.427
  220   1HZ   LYS  28           HZ1      LYS  28  -4.896  13.384  -3.605
  221   2HZ   LYS  28           HZ3      LYS  28  -5.245  13.941  -2.038
  222   3HZ   LYS  28           HZ2      LYS  28  -3.719  14.234  -2.723
  223    H    VAL  29           HN       VAL  29  -3.921   7.044  -1.322
  224    HA   VAL  29           HA       VAL  29  -2.776   8.310   0.922
  225    HB   VAL  29           HB       VAL  29  -4.430   5.781   0.747
  226   1HG1  VAL  29          HG12      VAL  29  -3.527   7.452   3.107
  227   2HG1  VAL  29          HG11      VAL  29  -4.947   6.413   3.183
  228   3HG1  VAL  29          HG13      VAL  29  -3.359   5.714   2.888
  229   1HG2  VAL  29          HG21      VAL  29  -5.097   8.384   0.144
  230   2HG2  VAL  29          HG23      VAL  29  -6.245   7.168   0.693
  231   3HG2  VAL  29          HG22      VAL  29  -5.534   8.291   1.847
  232    H    PHE  30           HN       PHE  30  -2.400   4.917  -0.106
  233    HA   PHE  30           HA       PHE  30  -0.465   4.297   1.923
  234   1HB   PHE  30           HB2      PHE  30  -1.362   3.000  -0.622
  235   2HB   PHE  30           HB1      PHE  30   0.120   2.427   0.134
  236    HD1  PHE  30           HD1      PHE  30  -0.151   2.205   2.862
  237    HD2  PHE  30           HD2      PHE  30  -3.305   1.869   0.011
  238    HE1  PHE  30           HE1      PHE  30  -1.492   0.931   4.483
  239    HE2  PHE  30           HE2      PHE  30  -4.617   0.592   1.635
  240    HZ   PHE  30           HZ       PHE  30  -3.710   0.082   3.851
  241    H    LYS  31           HN       LYS  31  -0.117   5.264  -1.486
  242    HA   LYS  31           HA       LYS  31   2.704   5.061  -1.644
  243   1HB   LYS  31           HB2      LYS  31   1.127   5.584  -3.548
  244   2HB   LYS  31           HB1      LYS  31   1.040   7.234  -2.941
  245   1HG   LYS  31           HG2      LYS  31   3.753   6.838  -2.998
  246   2HG   LYS  31           HG1      LYS  31   3.243   5.855  -4.364
  247   1HD   LYS  31           HD2      LYS  31   1.864   7.864  -5.133
  248   2HD   LYS  31           HD1      LYS  31   2.712   8.803  -3.911
  249   1HE   LYS  31           HE2      LYS  31   3.840   8.994  -6.102
  250   2HE   LYS  31           HE1      LYS  31   4.878   8.186  -4.933
  251   1HZ   LYS  31           HZ1      LYS  31   3.160   6.770  -6.890
  252   2HZ   LYS  31           HZ3      LYS  31   4.810   7.097  -7.125
  253   3HZ   LYS  31           HZ2      LYS  31   4.317   6.079  -5.858
  254    H    GLN  32           HN       GLN  32   0.651   7.579  -0.312
  255    HA   GLN  32           HA       GLN  32   2.706   9.517   0.150
  256   1HB   GLN  32           HB2      GLN  32   0.177   9.852   0.320
  257   2HB   GLN  32           HB1      GLN  32   0.280   9.088   1.902
  258   1HG   GLN  32           HG2      GLN  32   2.255  10.866   2.222
  259   2HG   GLN  32           HG1      GLN  32   1.331  11.743   1.007
  260   1HE2  GLN  32          HE22      GLN  32  -1.473  12.299   3.157
  261   2HE2  GLN  32          HE21      GLN  32  -0.999  12.178   1.532
  262    OH   TYR  33           OH       TYR  33   4.785   2.757   8.351
  263    H    TYR  33           HN       TYR  33   1.646   6.677   1.878
  264    HA   TYR  33           HA       TYR  33   3.205   7.235   4.274
  265   1HB   TYR  33           HB2      TYR  33   1.215   5.807   4.402
  266   2HB   TYR  33           HB1      TYR  33   1.942   4.671   3.269
  267    HD1  TYR  33           HD1      TYR  33   3.998   3.401   3.942
  268    HD2  TYR  33           HD2      TYR  33   1.865   5.809   6.724
  269    HE1  TYR  33           HE1      TYR  33   5.134   2.267   5.793
  270    HE2  TYR  33           HE2      TYR  33   3.003   4.674   8.576
  271    HH   TYR  33           HH       TYR  33   4.117   2.325   8.890
  272    H    ALA  34           HN       ALA  34   3.484   4.735   1.766
  273    HA   ALA  34           HA       ALA  34   5.996   3.713   2.445
  274   1HB   ALA  34           HB3      ALA  34   4.598   4.061  -0.194
  275   2HB   ALA  34           HB2      ALA  34   6.220   3.380  -0.133
  276   3HB   ALA  34           HB1      ALA  34   4.896   2.580   0.709
  277    H    ASN  35           HN       ASN  35   5.210   6.743   0.930
  278    HA   ASN  35           HA       ASN  35   7.806   7.355  -0.125
  279   1HB   ASN  35           HB2      ASN  35   5.733   8.589  -0.735
  280   2HB   ASN  35           HB1      ASN  35   5.692   9.276   0.886
  281   1HD2  ASN  35          HD22      ASN  35   7.611  11.947  -0.390
  282   2HD2  ASN  35          HD21      ASN  35   6.150  11.459   0.324
  283    H    ASP  36           HN       ASP  36   6.239   8.372   2.907
  284    HA   ASP  36           HA       ASP  36   8.397   9.788   4.022
  285   1HB   ASP  36           HB2      ASP  36   6.127   8.222   5.195
  286   2HB   ASP  36           HB1      ASP  36   7.388   8.833   6.264
  287    H    ASN  37           HN       ASN  37   8.216   6.505   3.256
  288    HA   ASN  37           HA       ASN  37  10.432   5.817   5.142
  289   1HB   ASN  37           HB2      ASN  37   8.433   4.114   3.648
  290   2HB   ASN  37           HB1      ASN  37   9.845   3.433   4.452
  291   1HD2  ASN  37          HD22      ASN  37   6.942   5.185   6.791
  292   2HD2  ASN  37          HD21      ASN  37   7.173   5.744   5.204
  293    H    GLY  38           HN       GLY  38   9.507   5.989   1.778
  294   1HA   GLY  38           HA2      GLY  38  11.128   6.372   0.020
  295   2HA   GLY  38           HA1      GLY  38  12.365   5.645   1.042
  296    H    VAL  39           HN       VAL  39   9.180   4.609  -0.181
  297    HA   VAL  39           HA       VAL  39  10.503   2.260  -1.448
  298    HB   VAL  39           HB       VAL  39   8.126   2.130   0.429
  299   1HG1  VAL  39          HG11      VAL  39   9.252   0.246  -1.608
  300   2HG1  VAL  39          HG13      VAL  39   8.682  -0.437  -0.090
  301   3HG1  VAL  39          HG12      VAL  39   7.580   0.481  -1.110
  302   1HG2  VAL  39          HG23      VAL  39  10.914   0.925   0.570
  303   2HG2  VAL  39          HG22      VAL  39  10.333   2.269   1.548
  304   3HG2  VAL  39          HG21      VAL  39   9.630   0.667   1.748
  305    H    ASP  40           HN       ASP  40  10.053   3.562  -3.369
  306    HA   ASP  40           HA       ASP  40   7.210   3.250  -4.261
  307   1HB   ASP  40           HB2      ASP  40   9.077   5.581  -4.758
  308   2HB   ASP  40           HB1      ASP  40   7.542   5.356  -5.594
  309    H    GLY  41           HN       GLY  41   6.977   2.161  -6.111
  310   1HA   GLY  41           HA2      GLY  41   8.712   2.321  -8.364
  311   2HA   GLY  41           HA1      GLY  41   9.168   0.903  -7.423
  312    H    GLU  42           HN       GLU  42   7.687  -0.813  -7.217
  313    HA   GLU  42           HA       GLU  42   5.607  -0.853  -9.356
  314   1HB   GLU  42           HB2      GLU  42   7.127  -2.990  -7.890
  315   2HB   GLU  42           HB1      GLU  42   5.688  -3.373  -8.823
  316   1HG   GLU  42           HG2      GLU  42   7.799  -3.625 -10.156
  317   2HG   GLU  42           HG1      GLU  42   6.702  -2.430 -10.844
  318    CH2  TRP  43           CH2      TRP  43   2.138   2.491  -2.160
  319    H    TRP  43           HN       TRP  43   3.509  -0.864  -8.819
  320    HA   TRP  43           HA       TRP  43   2.799  -1.412  -5.957
  321   1HB   TRP  43           HB2      TRP  43   1.845   0.676  -7.887
  322   2HB   TRP  43           HB1      TRP  43   0.836   0.187  -6.536
  323    HD1  TRP  43           HD1      TRP  43   4.455   1.377  -7.209
  324    HE1  TRP  43           HE1      TRP  43   5.148   2.728  -5.172
  325    HE3  TRP  43           HE3      TRP  43   0.422   0.652  -4.384
  326    HZ2  TRP  43           HZ2      TRP  43   4.065   3.346  -2.482
  327    HZ3  TRP  43           HZ3      TRP  43   0.235   1.529  -2.112
  328    HH2  TRP  43           HH2      TRP  43   2.053   2.872  -1.153
  329    H    THR  44           HN       THR  44   1.248  -2.853  -5.565
  330    HA   THR  44           HA       THR  44  -0.348  -3.878  -7.885
  331    HB   THR  44           HB       THR  44  -0.272  -6.112  -6.502
  332    HG1  THR  44           HG1      THR  44   0.660  -4.876  -4.717
  333   1HG2  THR  44          HG21      THR  44   1.082  -5.608  -8.645
  334   2HG2  THR  44          HG23      THR  44   2.390  -5.120  -7.572
  335   3HG2  THR  44          HG22      THR  44   1.800  -6.779  -7.542
  336    OH   TYR  45           OH       TYR  45  -8.825  -1.291  -3.149
  337    H    TYR  45           HN       TYR  45  -2.339  -5.051  -7.161
  338    HA   TYR  45           HA       TYR  45  -3.505  -3.976  -4.637
  339   1HB   TYR  45           HB2      TYR  45  -4.006  -2.538  -6.739
  340   2HB   TYR  45           HB1      TYR  45  -5.025  -3.884  -7.255
  341    HD1  TYR  45           HD1      TYR  45  -6.546  -4.742  -4.941
  342    HD2  TYR  45           HD2      TYR  45  -5.274  -0.805  -5.895
  343    HE1  TYR  45           HE1      TYR  45  -8.310  -3.835  -3.529
  344    HE2  TYR  45           HE2      TYR  45  -7.081   0.105  -4.527
  345    HH   TYR  45           HH       TYR  45  -9.595  -1.166  -3.708
  346    H    ASP  46           HN       ASP  46  -4.526  -5.572  -3.569
  347    HA   ASP  46           HA       ASP  46  -5.232  -8.057  -5.077
  348   1HB   ASP  46           HB2      ASP  46  -3.598  -8.055  -3.053
  349   2HB   ASP  46           HB1      ASP  46  -5.053  -7.868  -2.077
  350    H    ASP  47           HN       ASP  47  -7.194  -6.740  -5.734
  351    HA   ASP  47           HA       ASP  47  -9.194  -5.990  -3.840
  352   1HB   ASP  47           HB2      ASP  47  -9.267  -5.230  -6.168
  353   2HB   ASP  47           HB1      ASP  47  -9.510  -6.885  -6.717
  354    H    ALA  48           HN       ALA  48  -7.962  -8.977  -4.342
  355    HA   ALA  48           HA       ALA  48 -10.420 -10.547  -4.274
  356   1HB   ALA  48           HB3      ALA  48  -7.814 -11.106  -4.923
  357   2HB   ALA  48           HB2      ALA  48  -7.947 -11.835  -3.326
  358   3HB   ALA  48           HB1      ALA  48  -9.045 -12.326  -4.611
  359    H    THR  49           HN       THR  49  -8.170  -9.233  -1.948
  360    HA   THR  49           HA       THR  49 -10.001 -10.114   0.234
  361    HB   THR  49           HB       THR  49  -7.960 -10.682   1.638
  362    HG1  THR  49           HG1      THR  49  -6.917  -9.776  -0.780
  363   1HG2  THR  49          HG22      THR  49  -9.146 -12.278  -0.324
  364   2HG2  THR  49          HG21      THR  49  -7.436 -12.340  -0.737
  365   3HG2  THR  49          HG23      THR  49  -7.974 -12.842   0.862
  366    H    LYS  50           HN       LYS  50  -9.227  -7.559  -1.245
  367    HA   LYS  50           HA       LYS  50  -8.832  -5.311  -0.692
  368   1HB   LYS  50           HB2      LYS  50  -9.841  -6.291   1.991
  369   2HB   LYS  50           HB1      LYS  50  -9.731  -4.604   1.501
  370   1HG   LYS  50           HG2      LYS  50 -11.259  -5.095  -0.412
  371   2HG   LYS  50           HG1      LYS  50 -11.416  -6.749   0.167
  372   1HD   LYS  50           HD2      LYS  50 -12.491  -6.050   2.182
  373   2HD   LYS  50           HD1      LYS  50 -12.025  -4.371   1.937
  374   1HE   LYS  50           HE2      LYS  50 -13.737  -3.974   0.476
  375   2HE   LYS  50           HE1      LYS  50 -13.598  -5.560  -0.271
  376   1HZ   LYS  50           HZ1      LYS  50 -14.505  -6.275   2.090
  377   2HZ   LYS  50           HZ3      LYS  50 -15.179  -4.718   2.024
  378   3HZ   LYS  50           HZ2      LYS  50 -15.537  -5.850   0.809
  379    H    THR  51           HN       THR  51  -6.528  -6.442  -0.851
  380    HA   THR  51           HA       THR  51  -5.013  -5.481   1.536
  381    HB   THR  51           HB       THR  51  -4.891  -8.211   0.239
  382    HG1  THR  51           HG1      THR  51  -5.701  -8.488   2.168
  383   1HG2  THR  51          HG22      THR  51  -2.692  -6.853   1.843
  384   2HG2  THR  51          HG21      THR  51  -2.764  -8.572   1.504
  385   3HG2  THR  51          HG23      THR  51  -2.535  -7.426   0.190
  386    H    PHE  52           HN       PHE  52  -3.706  -3.871   0.812
  387    HA   PHE  52           HA       PHE  52  -3.006  -3.692  -2.015
  388   1HB   PHE  52           HB2      PHE  52  -2.989  -1.950   0.285
  389   2HB   PHE  52           HB1      PHE  52  -1.464  -1.857  -0.584
  390    HD1  PHE  52           HD1      PHE  52  -1.441  -1.208  -3.004
  391    HD2  PHE  52           HD2      PHE  52  -5.030  -1.228  -0.751
  392    HE1  PHE  52           HE1      PHE  52  -2.572   0.089  -4.765
  393    HE2  PHE  52           HE2      PHE  52  -6.110   0.181  -2.417
  394    HZ   PHE  52           HZ       PHE  52  -4.870   0.881  -4.411
  395    H    THR  53           HN       THR  53  -0.706  -3.436  -2.676
  396    HA   THR  53           HA       THR  53   1.328  -4.548  -0.890
  397    HB   THR  53           HB       THR  53   0.459  -6.099  -3.358
  398    HG1  THR  53           HG1      THR  53  -0.851  -6.576  -1.675
  399   1HG2  THR  53          HG21      THR  53   2.863  -6.189  -1.571
  400   2HG2  THR  53          HG23      THR  53   2.118  -7.730  -1.986
  401   3HG2  THR  53          HG22      THR  53   2.724  -6.673  -3.259
  402    H    VAL  54           HN       VAL  54   3.312  -3.820  -1.442
  403    HA   VAL  54           HA       VAL  54   3.719  -2.764  -4.202
  404    HB   VAL  54           HB       VAL  54   3.040  -0.898  -2.633
  405   1HG1  VAL  54          HG12      VAL  54   4.256  -2.003  -0.681
  406   2HG1  VAL  54          HG11      VAL  54   5.747  -1.376  -1.375
  407   3HG1  VAL  54          HG13      VAL  54   4.485  -0.268  -0.846
  408   1HG2  VAL  54          HG21      VAL  54   5.823  -0.907  -3.835
  409   2HG2  VAL  54          HG23      VAL  54   4.347  -0.295  -4.560
  410   3HG2  VAL  54          HG22      VAL  54   5.063   0.540  -3.191
  411    H    THR  55           HN       THR  55   5.893  -2.776  -4.857
  412    HA   THR  55           HA       THR  55   7.876  -3.948  -2.969
  413    HB   THR  55           HB       THR  55   7.278  -5.146  -5.710
  414    HG1  THR  55           HG1      THR  55   7.062  -6.684  -3.499
  415   1HG2  THR  55          HG23      THR  55   9.444  -5.487  -3.694
  416   2HG2  THR  55          HG22      THR  55   8.691  -6.978  -4.253
  417   3HG2  THR  55          HG21      THR  55   9.448  -5.886  -5.405
  418    H    GLU  56           HN       GLU  56   9.566  -2.561  -3.058
  419    HA   GLU  56           HA       GLU  56   9.999  -0.657  -5.131
  420   1HB   GLU  56           HB2      GLU  56  11.150  -1.204  -2.660
  421   2HB   GLU  56           HB1      GLU  56  12.466  -1.464  -3.794
  422   1HG   GLU  56           HG2      GLU  56  11.837   0.774  -4.843
  423   2HG   GLU  56           HG1      GLU  56  10.768   1.028  -3.467
   
  Start of MODEL          35
 Raw file had 423 H/Q atoms
  Entry Start of MODEL   35
    1   1H    MET   1           HT1      MET   1 -14.057   1.415   5.062
    2   2H    MET   1           HT3      MET   1 -14.302   1.914   3.458
    3   3H    MET   1           HT2      MET   1 -15.363   0.795   4.170
    4    HA   MET   1           HA       MET   1 -13.800  -0.912   4.149
    5   1HB   MET   1           HB2      MET   1 -12.771  -0.643   1.727
    6   2HB   MET   1           HB1      MET   1 -14.503  -0.869   1.939
    7   1HG   MET   1           HG2      MET   1 -13.309   1.884   1.951
    8   2HG   MET   1           HG1      MET   1 -13.614   1.080   0.435
    9   1HE   MET   1           HE2      MET   1 -16.026  -0.011  -0.082
   10   2HE   MET   1           HE1      MET   1 -17.166   1.315  -0.308
   11   3HE   MET   1           HE3      MET   1 -15.511   1.465  -0.899
   12    H    THR   2           HN       THR   2 -11.764  -1.567   4.572
   13    HA   THR   2           HA       THR   2  -9.561   0.448   4.374
   14    HB   THR   2           HB       THR   2  -9.780  -1.468   6.716
   15    HG1  THR   2           HG1      THR   2 -10.477   1.044   7.276
   16   1HG2  THR   2          HG23      THR   2  -7.674   0.015   6.076
   17   2HG2  THR   2          HG22      THR   2  -8.667   1.333   6.690
   18   3HG2  THR   2          HG21      THR   2  -8.234  -0.009   7.744
   19    OH   TYR   3           OH       TYR   3 -11.560   0.130  -1.125
   20    H    TYR   3           HN       TYR   3  -7.889  -0.327   3.244
   21    HA   TYR   3           HA       TYR   3  -7.727  -3.278   2.828
   22   1HB   TYR   3           HB2      TYR   3  -6.108  -1.232   1.330
   23   2HB   TYR   3           HB1      TYR   3  -6.568  -2.852   0.822
   24    HD1  TYR   3           HD1      TYR   3  -7.985   0.507   1.628
   25    HD2  TYR   3           HD2      TYR   3  -8.578  -3.192  -0.382
   26    HE1  TYR   3           HE1      TYR   3  -9.997   1.411   0.557
   27    HE2  TYR   3           HE2      TYR   3 -10.589  -2.289  -1.454
   28    HH   TYR   3           HH       TYR   3 -12.079   0.580  -0.453
   29    H    LYS   4           HN       LYS   4  -5.580  -4.260   2.809
   30    HA   LYS   4           HA       LYS   4  -3.844  -3.072   4.936
   31   1HB   LYS   4           HB2      LYS   4  -5.030  -5.472   4.986
   32   2HB   LYS   4           HB1      LYS   4  -3.591  -5.922   4.085
   33   1HG   LYS   4           HG2      LYS   4  -2.370  -4.531   6.004
   34   2HG   LYS   4           HG1      LYS   4  -3.824  -4.943   6.905
   35   1HD   LYS   4           HD2      LYS   4  -3.473  -7.339   6.343
   36   2HD   LYS   4           HD1      LYS   4  -1.994  -6.910   5.492
   37   1HE   LYS   4           HE2      LYS   4  -1.312  -7.595   7.684
   38   2HE   LYS   4           HE1      LYS   4  -1.202  -5.840   7.673
   39   1HZ   LYS   4           HZ2      LYS   4  -3.699  -6.146   8.490
   40   2HZ   LYS   4           HZ1      LYS   4  -3.029  -7.576   9.113
   41   3HZ   LYS   4           HZ3      LYS   4  -2.378  -6.071   9.554
   42    H    LEU   5           HN       LEU   5  -1.926  -2.302   4.277
   43    HA   LEU   5           HA       LEU   5  -0.983  -2.938   1.561
   44   1HB   LEU   5           HB2      LEU   5  -0.860  -0.616   2.186
   45   2HB   LEU   5           HB1      LEU   5  -0.062  -0.992   3.701
   46    HG   LEU   5           HG       LEU   5   1.938  -1.825   2.345
   47   1HD1  LEU   5          HD13      LEU   5   0.357  -0.547   0.091
   48   2HD1  LEU   5          HD12      LEU   5   2.036  -1.058  -0.021
   49   3HD1  LEU   5          HD11      LEU   5   0.770  -2.253   0.214
   50   1HD2  LEU   5          HD21      LEU   5   1.699   0.500   3.331
   51   2HD2  LEU   5          HD23      LEU   5   2.798   0.374   1.960
   52   3HD2  LEU   5          HD22      LEU   5   1.183   1.031   1.736
   53    H    ILE   6           HN       ILE   6   1.078  -3.793   1.111
   54    HA   ILE   6           HA       ILE   6   2.515  -5.080   3.350
   55    HB   ILE   6           HB       ILE   6   2.048  -6.360   0.648
   56   1HG1  ILE   6          HG12      ILE   6   0.670  -6.718   3.324
   57   2HG1  ILE   6          HG11      ILE   6  -0.075  -6.335   1.777
   58   1HG2  ILE   6          HG22      ILE   6   4.142  -6.931   2.055
   59   2HG2  ILE   6          HG21      ILE   6   3.024  -7.649   3.208
   60   3HG2  ILE   6          HG23      ILE   6   3.128  -8.280   1.568
   61   1HD1  ILE   6           HD2      ILE   6   0.885  -8.592   0.958
   62   2HD1  ILE   6           HD1      ILE   6   1.155  -8.956   2.660
   63   3HD1  ILE   6           HD3      ILE   6  -0.473  -8.663   2.071
   64    H    LEU   7           HN       LEU   7   4.306  -3.845   3.413
   65    HA   LEU   7           HA       LEU   7   5.501  -2.761   0.984
   66   1HB   LEU   7           HB2      LEU   7   6.252  -2.684   3.896
   67   2HB   LEU   7           HB1      LEU   7   7.303  -2.018   2.653
   68    HG   LEU   7           HG       LEU   7   4.474  -1.207   2.402
   69   1HD1  LEU   7          HD12      LEU   7   6.154  -0.285   4.760
   70   2HD1  LEU   7          HD11      LEU   7   4.614   0.417   4.272
   71   3HD1  LEU   7          HD13      LEU   7   4.678  -1.239   4.865
   72   1HD2  LEU   7          HD21      LEU   7   6.391  -0.289   1.076
   73   2HD2  LEU   7          HD23      LEU   7   5.532   0.961   1.971
   74   3HD2  LEU   7          HD22      LEU   7   7.074   0.356   2.566
   75    H    ASN   8           HN       ASN   8   6.664  -3.980  -0.341
   76    HA   ASN   8           HA       ASN   8   8.321  -6.169   0.825
   77   1HB   ASN   8           HB2      ASN   8   6.693  -5.880  -1.574
   78   2HB   ASN   8           HB1      ASN   8   8.311  -6.426  -1.961
   79   1HD2  ASN   8          HD22      ASN   8   5.811  -9.131  -0.752
   80   2HD2  ASN   8          HD21      ASN   8   5.461  -7.723  -1.620
   81    H    GLY   9           HN       GLY   9   9.179  -3.521   1.077
   82   1HA   GLY   9           HA2      GLY   9  10.876  -2.582  -0.986
   83   2HA   GLY   9           HA1      GLY   9  11.091  -2.207   0.716
   84    H    LYS  10           HN       LYS  10  13.003  -2.918  -1.481
   85    HA   LYS  10           HA       LYS  10  14.075  -5.538  -0.879
   86   1HB   LYS  10           HB2      LYS  10  14.909  -3.179  -2.486
   87   2HB   LYS  10           HB1      LYS  10  16.191  -4.268  -1.967
   88   1HG   LYS  10           HG2      LYS  10  13.672  -5.388  -3.184
   89   2HG   LYS  10           HG1      LYS  10  14.939  -4.753  -4.225
   90   1HD   LYS  10           HD2      LYS  10  15.820  -6.580  -2.045
   91   2HD   LYS  10           HD1      LYS  10  14.914  -7.317  -3.361
   92   1HE   LYS  10           HE2      LYS  10  16.502  -6.670  -4.980
   93   2HE   LYS  10           HE1      LYS  10  17.186  -5.423  -3.945
   94   1HZ   LYS  10           HZ3      LYS  10  17.669  -7.544  -2.461
   95   2HZ   LYS  10           HZ2      LYS  10  17.693  -8.286  -3.988
   96   3HZ   LYS  10           HZ1      LYS  10  18.747  -6.996  -3.654
   97    H    THR  11           HN       THR  11  14.627  -2.291   0.288
   98    HA   THR  11           HA       THR  11  16.778  -3.266   2.091
   99    HB   THR  11           HB       THR  11  16.728  -0.627   2.603
  100    HG1  THR  11           HG1      THR  11  15.928  -0.635  -0.065
  101   1HG2  THR  11          HG22      THR  11  17.811  -2.079   0.183
  102   2HG2  THR  11          HG21      THR  11  18.012  -0.335   0.326
  103   3HG2  THR  11          HG23      THR  11  18.710  -1.404   1.539
  104    H    LEU  12           HN       LEU  12  13.479  -2.951   2.084
  105    HA   LEU  12           HA       LEU  12  13.350  -3.215   4.994
  106   1HB   LEU  12           HB2      LEU  12  13.519  -0.684   4.434
  107   2HB   LEU  12           HB1      LEU  12  11.863  -0.854   3.867
  108    HG   LEU  12           HG       LEU  12  11.663  -2.136   6.252
  109   1HD1  LEU  12          HD11      LEU  12  14.049  -1.646   6.786
  110   2HD1  LEU  12          HD13      LEU  12  13.707   0.077   6.654
  111   3HD1  LEU  12          HD12      LEU  12  12.951  -0.877   7.928
  112   1HD2  LEU  12          HD22      LEU  12  11.506   0.863   5.779
  113   2HD2  LEU  12          HD21      LEU  12  10.217  -0.299   5.477
  114   3HD2  LEU  12          HD23      LEU  12  10.751   0.014   7.126
  115    H    LYS  13           HN       LYS  13  11.271  -3.846   5.735
  116    HA   LYS  13           HA       LYS  13   9.175  -4.258   3.674
  117   1HB   LYS  13           HB2      LYS  13  10.351  -6.476   5.372
  118   2HB   LYS  13           HB1      LYS  13   8.916  -6.637   4.368
  119   1HG   LYS  13           HG2      LYS  13  10.381  -5.830   2.414
  120   2HG   LYS  13           HG1      LYS  13  11.759  -6.105   3.475
  121   1HD   LYS  13           HD2      LYS  13  11.020  -8.462   3.791
  122   2HD   LYS  13           HD1      LYS  13   9.684  -8.177   2.680
  123   1HE   LYS  13           HE2      LYS  13  11.626  -7.326   1.081
  124   2HE   LYS  13           HE1      LYS  13  12.623  -8.352   2.104
  125   1HZ   LYS  13           HZ2      LYS  13  10.155  -9.561   1.223
  126   2HZ   LYS  13           HZ1      LYS  13  11.251  -9.207  -0.025
  127   3HZ   LYS  13           HZ3      LYS  13  11.728 -10.199   1.268
  128    H    GLY  14           HN       GLY  14   7.116  -4.148   4.510
  129   1HA   GLY  14           HA2      GLY  14   6.593  -4.520   7.352
  130   2HA   GLY  14           HA1      GLY  14   6.563  -2.824   6.880
  131    H    GLU  15           HN       GLU  15   4.307  -2.861   7.509
  132    HA   GLU  15           HA       GLU  15   2.528  -3.187   5.293
  133   1HB   GLU  15           HB2      GLU  15   1.112  -5.016   6.388
  134   2HB   GLU  15           HB1      GLU  15   2.617  -5.542   5.642
  135   1HG   GLU  15           HG2      GLU  15   3.508  -6.169   7.638
  136   2HG   GLU  15           HG1      GLU  15   2.955  -4.700   8.438
  137    H    THR  16           HN       THR  16   0.692  -2.020   5.652
  138    HA   THR  16           HA       THR  16  -0.217  -1.501   8.411
  139    HB   THR  16           HB       THR  16   1.589   0.252   7.909
  140    HG1  THR  16           HG1      THR  16  -1.132   1.049   8.199
  141   1HG2  THR  16          HG22      THR  16   0.358   0.486   5.458
  142   2HG2  THR  16          HG21      THR  16  -0.436   1.768   6.364
  143   3HG2  THR  16          HG23      THR  16   1.316   1.766   6.191
  144    H    THR  17           HN       THR  17  -2.320  -0.500   8.480
  145    HA   THR  17           HA       THR  17  -3.831  -0.916   5.932
  146    HB   THR  17           HB       THR  17  -5.708  -1.559   7.250
  147    HG1  THR  17           HG1      THR  17  -5.194  -0.978   9.675
  148   1HG2  THR  17          HG23      THR  17  -3.331  -2.849   7.803
  149   2HG2  THR  17          HG22      THR  17  -3.806  -2.292   9.404
  150   3HG2  THR  17          HG21      THR  17  -4.884  -3.331   8.476
  151    H    THR  18           HN       THR  18  -5.220   0.640   5.160
  152    HA   THR  18           HA       THR  18  -5.387   3.214   6.662
  153    HB   THR  18           HB       THR  18  -3.604   3.168   4.714
  154    HG1  THR  18           HG1      THR  18  -4.879   4.927   5.903
  155   1HG2  THR  18          HG22      THR  18  -5.587   2.244   3.150
  156   2HG2  THR  18          HG21      THR  18  -5.999   3.953   3.080
  157   3HG2  THR  18          HG23      THR  18  -4.420   3.406   2.528
  158    H    GLU  19           HN       GLU  19  -7.259   4.433   6.253
  159    HA   GLU  19           HA       GLU  19  -9.480   2.840   5.083
  160   1HB   GLU  19           HB2      GLU  19  -9.641   3.802   7.416
  161   2HB   GLU  19           HB1      GLU  19  -9.661   5.400   6.682
  162   1HG   GLU  19           HG2      GLU  19 -11.669   4.792   5.381
  163   2HG   GLU  19           HG1      GLU  19 -11.641   3.175   6.078
  164    H    ALA  20           HN       ALA  20 -10.338   3.355   3.171
  165    HA   ALA  20           HA       ALA  20 -10.091   6.150   2.173
  166   1HB   ALA  20           HB2      ALA  20  -9.190   3.647   0.741
  167   2HB   ALA  20           HB1      ALA  20  -9.529   5.149  -0.111
  168   3HB   ALA  20           HB3      ALA  20  -8.244   5.090   1.092
  169    H    VAL  21           HN       VAL  21 -11.435   6.365   0.076
  170    HA   VAL  21           HA       VAL  21 -14.049   5.043   0.596
  171    HB   VAL  21           HB       VAL  21 -14.289   7.401   0.495
  172   1HG1  VAL  21          HG11      VAL  21 -12.499   7.202  -1.941
  173   2HG1  VAL  21          HG13      VAL  21 -13.382   8.665  -1.522
  174   3HG1  VAL  21          HG12      VAL  21 -12.157   8.032  -0.428
  175   1HG2  VAL  21          HG21      VAL  21 -15.784   5.909  -1.059
  176   2HG2  VAL  21          HG23      VAL  21 -15.833   7.657  -1.266
  177   3HG2  VAL  21          HG22      VAL  21 -14.883   6.665  -2.369
  178    H    ASP  22           HN       ASP  22 -11.536   5.333  -1.813
  179    HA   ASP  22           HA       ASP  22 -12.832   3.138  -3.333
  180   1HB   ASP  22           HB2      ASP  22 -12.512   4.299  -5.478
  181   2HB   ASP  22           HB1      ASP  22 -13.566   5.237  -4.422
  182    H    ALA  23           HN       ALA  23 -11.285   2.372  -5.120
  183    HA   ALA  23           HA       ALA  23  -8.782   1.673  -3.884
  184   1HB   ALA  23           HB3      ALA  23 -10.059   1.222  -6.544
  185   2HB   ALA  23           HB2      ALA  23  -8.324   0.954  -6.409
  186   3HB   ALA  23           HB1      ALA  23  -9.436   0.048  -5.388
  187    H    ALA  24           HN       ALA  24  -9.758   4.343  -5.804
  188    HA   ALA  24           HA       ALA  24  -7.190   4.999  -6.942
  189   1HB   ALA  24           HB1      ALA  24  -9.663   5.919  -7.398
  190   2HB   ALA  24           HB3      ALA  24  -9.123   7.172  -6.286
  191   3HB   ALA  24           HB2      ALA  24  -8.234   6.875  -7.777
  192    H    THR  25           HN       THR  25  -8.933   6.711  -4.340
  193    HA   THR  25           HA       THR  25  -6.674   8.156  -3.431
  194    HB   THR  25           HB       THR  25  -8.642   9.006  -2.482
  195    HG1  THR  25           HG1      THR  25  -8.312   8.635  -0.342
  196   1HG2  THR  25          HG22      THR  25  -9.388   6.105  -2.327
  197   2HG2  THR  25          HG21      THR  25 -10.090   7.192  -1.136
  198   3HG2  THR  25          HG23      THR  25 -10.365   7.469  -2.852
  199    H    ALA  26           HN       ALA  26  -7.487   4.833  -3.042
  200    HA   ALA  26           HA       ALA  26  -5.977   4.354  -0.626
  201   1HB   ALA  26           HB3      ALA  26  -7.686   2.781  -1.705
  202   2HB   ALA  26           HB2      ALA  26  -6.417   2.349  -2.846
  203   3HB   ALA  26           HB1      ALA  26  -6.201   2.028  -1.128
  204    H    GLU  27           HN       GLU  27  -5.200   4.346  -4.062
  205    HA   GLU  27           HA       GLU  27  -2.526   3.339  -3.802
  206   1HB   GLU  27           HB2      GLU  27  -4.057   4.852  -5.876
  207   2HB   GLU  27           HB1      GLU  27  -2.304   4.826  -6.011
  208   1HG   GLU  27           HG2      GLU  27  -2.354   2.331  -5.888
  209   2HG   GLU  27           HG1      GLU  27  -4.112   2.395  -5.829
  210    H    LYS  28           HN       LYS  28  -3.847   6.620  -3.887
  211    HA   LYS  28           HA       LYS  28  -1.279   7.919  -3.592
  212   1HB   LYS  28           HB2      LYS  28  -3.368   8.965  -4.550
  213   2HB   LYS  28           HB1      LYS  28  -4.004   9.039  -2.912
  214   1HG   LYS  28           HG2      LYS  28  -1.837  10.295  -2.300
  215   2HG   LYS  28           HG1      LYS  28  -1.575  10.457  -4.031
  216   1HD   LYS  28           HD2      LYS  28  -2.815  12.368  -3.749
  217   2HD   LYS  28           HD1      LYS  28  -4.166  11.249  -3.883
  218   1HE   LYS  28           HE2      LYS  28  -2.937  12.410  -1.379
  219   2HE   LYS  28           HE1      LYS  28  -4.617  12.467  -1.895
  220   1HZ   LYS  28           HZ3      LYS  28  -3.366   9.860  -1.405
  221   2HZ   LYS  28           HZ2      LYS  28  -3.855  10.802  -0.079
  222   3HZ   LYS  28           HZ1      LYS  28  -4.992  10.327  -1.248
  223    H    VAL  29           HN       VAL  29  -3.888   7.096  -1.344
  224    HA   VAL  29           HA       VAL  29  -2.850   8.343   0.970
  225    HB   VAL  29           HB       VAL  29  -4.476   5.812   0.653
  226   1HG1  VAL  29          HG11      VAL  29  -3.551   7.306   3.116
  227   2HG1  VAL  29          HG13      VAL  29  -5.021   6.337   3.131
  228   3HG1  VAL  29          HG12      VAL  29  -3.468   5.576   2.795
  229   1HG2  VAL  29          HG23      VAL  29  -5.175   8.403   0.163
  230   2HG2  VAL  29          HG22      VAL  29  -6.311   7.187   0.740
  231   3HG2  VAL  29          HG21      VAL  29  -5.551   8.293   1.880
  232    H    PHE  30           HN       PHE  30  -2.466   4.937  -0.002
  233    HA   PHE  30           HA       PHE  30  -0.530   4.344   2.018
  234   1HB   PHE  30           HB2      PHE  30  -1.372   3.036  -0.547
  235   2HB   PHE  30           HB1      PHE  30   0.076   2.461   0.267
  236    HD1  PHE  30           HD1      PHE  30  -0.330   2.285   3.004
  237    HD2  PHE  30           HD2      PHE  30  -3.317   1.860  -0.011
  238    HE1  PHE  30           HE1      PHE  30  -1.744   1.029   4.568
  239    HE2  PHE  30           HE2      PHE  30  -4.697   0.583   1.558
  240    HZ   PHE  30           HZ       PHE  30  -3.909   0.140   3.836
  241    H    LYS  31           HN       LYS  31  -0.198   5.386  -1.352
  242    HA   LYS  31           HA       LYS  31   2.604   5.131  -1.593
  243   1HB   LYS  31           HB2      LYS  31   1.184   5.721  -3.496
  244   2HB   LYS  31           HB1      LYS  31   0.794   7.266  -2.747
  245   1HG   LYS  31           HG2      LYS  31   3.102   8.002  -2.906
  246   2HG   LYS  31           HG1      LYS  31   3.621   6.408  -3.438
  247   1HD   LYS  31           HD2      LYS  31   3.125   6.914  -5.583
  248   2HD   LYS  31           HD1      LYS  31   1.482   7.361  -5.138
  249   1HE   LYS  31           HE2      LYS  31   2.278   9.601  -4.450
  250   2HE   LYS  31           HE1      LYS  31   3.921   9.154  -4.893
  251   1HZ   LYS  31           HZ3      LYS  31   2.584   8.572  -7.134
  252   2HZ   LYS  31           HZ2      LYS  31   1.693   9.904  -6.570
  253   3HZ   LYS  31           HZ1      LYS  31   3.363  10.052  -6.843
  254    H    GLN  32           HN       GLN  32   0.675   7.713  -0.157
  255    HA   GLN  32           HA       GLN  32   2.822   9.519   0.359
  256   1HB   GLN  32           HB2      GLN  32   0.529  10.259   0.621
  257   2HB   GLN  32           HB1      GLN  32   0.233   9.042   1.858
  258   1HG   GLN  32           HG2      GLN  32   1.299  10.254   3.484
  259   2HG   GLN  32           HG1      GLN  32   2.545  10.825   2.377
  260   1HE2  GLN  32          HE22      GLN  32   0.996  13.951   2.074
  261   2HE2  GLN  32          HE21      GLN  32   2.427  13.037   2.095
  262    OH   TYR  33           OH       TYR  33   4.712   2.510   8.389
  263    H    TYR  33           HN       TYR  33   1.624   6.698   2.054
  264    HA   TYR  33           HA       TYR  33   3.283   7.077   4.407
  265   1HB   TYR  33           HB2      TYR  33   1.229   5.721   4.494
  266   2HB   TYR  33           HB1      TYR  33   1.926   4.587   3.341
  267    HD1  TYR  33           HD1      TYR  33   3.997   3.299   3.991
  268    HD2  TYR  33           HD2      TYR  33   1.822   5.619   6.815
  269    HE1  TYR  33           HE1      TYR  33   5.103   2.108   5.821
  270    HE2  TYR  33           HE2      TYR  33   2.928   4.424   8.648
  271    HH   TYR  33           HH       TYR  33   5.063   1.689   8.038
  272    H    ALA  34           HN       ALA  34   3.423   4.648   1.810
  273    HA   ALA  34           HA       ALA  34   5.904   3.519   2.406
  274   1HB   ALA  34           HB3      ALA  34   4.163   3.141   0.409
  275   2HB   ALA  34           HB2      ALA  34   5.357   4.094  -0.468
  276   3HB   ALA  34           HB1      ALA  34   5.831   2.583   0.302
  277    H    ASN  35           HN       ASN  35   5.222   6.561   0.786
  278    HA   ASN  35           HA       ASN  35   7.806   7.167  -0.192
  279   1HB   ASN  35           HB2      ASN  35   5.799   8.531  -0.680
  280   2HB   ASN  35           HB1      ASN  35   5.780   9.086   0.991
  281   1HD2  ASN  35          HD22      ASN  35   7.911  11.202  -1.530
  282   2HD2  ASN  35          HD21      ASN  35   6.530  10.283  -1.890
  283    H    ASP  36           HN       ASP  36   6.465   7.437   3.039
  284    HA   ASP  36           HA       ASP  36   8.707   8.904   4.142
  285   1HB   ASP  36           HB2      ASP  36   6.456   7.310   5.374
  286   2HB   ASP  36           HB1      ASP  36   7.710   8.065   6.354
  287    H    ASN  37           HN       ASN  37   8.967   6.162   2.687
  288    HA   ASN  37           HA       ASN  37  10.975   5.092   4.610
  289   1HB   ASN  37           HB2      ASN  37   8.882   3.447   3.164
  290   2HB   ASN  37           HB1      ASN  37  10.240   2.772   4.060
  291   1HD2  ASN  37          HD22      ASN  37   6.954   3.987   6.050
  292   2HD2  ASN  37          HD21      ASN  37   7.029   3.946   4.354
  293    H    GLY  38           HN       GLY  38  10.408   6.314   1.655
  294   1HA   GLY  38           HA2      GLY  38  11.813   6.429  -0.234
  295   2HA   GLY  38           HA1      GLY  38  12.939   5.365   0.601
  296    H    VAL  39           HN       VAL  39   9.754   4.185   0.489
  297    HA   VAL  39           HA       VAL  39  10.591   2.145  -1.494
  298    HB   VAL  39           HB       VAL  39   8.176   2.288   0.333
  299   1HG1  VAL  39          HG11      VAL  39   9.036   0.393  -1.823
  300   2HG1  VAL  39          HG13      VAL  39   8.294  -0.284  -0.377
  301   3HG1  VAL  39          HG12      VAL  39   7.412   0.886  -1.353
  302   1HG2  VAL  39          HG22      VAL  39  10.447   1.958   1.402
  303   2HG2  VAL  39          HG21      VAL  39   9.342   0.607   1.640
  304   3HG2  VAL  39          HG23      VAL  39  10.624   0.494   0.438
  305    H    ASP  40           HN       ASP  40  10.296   2.937  -3.523
  306    HA   ASP  40           HA       ASP  40   7.513   3.484  -4.345
  307   1HB   ASP  40           HB2      ASP  40   9.740   5.510  -4.481
  308   2HB   ASP  40           HB1      ASP  40   8.398   5.562  -5.622
  309    H    GLY  41           HN       GLY  41   7.280   2.077  -5.968
  310   1HA   GLY  41           HA2      GLY  41   8.944   2.276  -8.338
  311   2HA   GLY  41           HA1      GLY  41   9.252   0.789  -7.448
  312    H    GLU  42           HN       GLU  42   7.613  -0.774  -7.297
  313    HA   GLU  42           HA       GLU  42   5.462  -0.474  -9.353
  314   1HB   GLU  42           HB2      GLU  42   6.223  -3.086  -8.122
  315   2HB   GLU  42           HB1      GLU  42   5.595  -2.764  -9.733
  316   1HG   GLU  42           HG2      GLU  42   7.851  -1.419 -10.024
  317   2HG   GLU  42           HG1      GLU  42   8.399  -2.435  -8.693
  318    CH2  TRP  43           CH2      TRP  43   2.162   2.574  -1.975
  319    H    TRP  43           HN       TRP  43   3.375  -0.577  -8.757
  320    HA   TRP  43           HA       TRP  43   2.777  -1.238  -5.893
  321   1HB   TRP  43           HB2      TRP  43   1.729   0.892  -7.727
  322   2HB   TRP  43           HB1      TRP  43   0.773   0.347  -6.360
  323    HD1  TRP  43           HD1      TRP  43   4.350   1.607  -7.110
  324    HE1  TRP  43           HE1      TRP  43   5.082   2.926  -5.064
  325    HE3  TRP  43           HE3      TRP  43   0.416   0.758  -4.192
  326    HZ2  TRP  43           HZ2      TRP  43   4.068   3.466  -2.330
  327    HZ3  TRP  43           HZ3      TRP  43   0.277   1.575  -1.897
  328    HH2  TRP  43           HH2      TRP  43   2.098   2.934  -0.959
  329    H    THR  44           HN       THR  44   1.238  -2.728  -5.501
  330    HA   THR  44           HA       THR  44  -0.366  -3.703  -7.843
  331    HB   THR  44           HB       THR  44  -0.149  -5.988  -6.961
  332    HG1  THR  44           HG1      THR  44   0.050  -5.949  -4.851
  333   1HG2  THR  44          HG22      THR  44   1.858  -5.054  -8.246
  334   2HG2  THR  44          HG21      THR  44   2.563  -4.643  -6.685
  335   3HG2  THR  44          HG23      THR  44   2.258  -6.327  -7.098
  336    OH   TYR  45           OH       TYR  45  -8.965  -1.444  -3.177
  337    H    TYR  45           HN       TYR  45  -2.314  -4.964  -7.124
  338    HA   TYR  45           HA       TYR  45  -3.521  -3.925  -4.605
  339   1HB   TYR  45           HB2      TYR  45  -4.066  -2.514  -6.711
  340   2HB   TYR  45           HB1      TYR  45  -5.027  -3.898  -7.232
  341    HD1  TYR  45           HD1      TYR  45  -6.547  -4.816  -4.946
  342    HD2  TYR  45           HD2      TYR  45  -5.396  -0.831  -5.871
  343    HE1  TYR  45           HE1      TYR  45  -8.356  -3.967  -3.550
  344    HE2  TYR  45           HE2      TYR  45  -7.242   0.015  -4.512
  345    HH   TYR  45           HH       TYR  45  -9.572  -0.980  -3.759
  346    H    ASP  46           HN       ASP  46  -4.500  -5.548  -3.537
  347    HA   ASP  46           HA       ASP  46  -5.130  -8.056  -5.043
  348   1HB   ASP  46           HB2      ASP  46  -3.455  -7.984  -3.039
  349   2HB   ASP  46           HB1      ASP  46  -4.905  -7.907  -2.048
  350    H    ASP  47           HN       ASP  47  -7.187  -7.112  -5.707
  351    HA   ASP  47           HA       ASP  47  -9.164  -6.327  -3.748
  352   1HB   ASP  47           HB2      ASP  47  -9.137  -5.726  -6.233
  353   2HB   ASP  47           HB1      ASP  47  -9.748  -7.351  -6.530
  354    H    ALA  48           HN       ALA  48  -7.817  -9.266  -4.340
  355    HA   ALA  48           HA       ALA  48 -10.174 -10.955  -4.237
  356   1HB   ALA  48           HB2      ALA  48  -7.442 -11.348  -4.694
  357   2HB   ALA  48           HB1      ALA  48  -7.770 -12.211  -3.193
  358   3HB   ALA  48           HB3      ALA  48  -8.683 -12.594  -4.649
  359    H    THR  49           HN       THR  49  -8.155  -9.373  -1.884
  360    HA   THR  49           HA       THR  49  -9.995 -10.328   0.243
  361    HB   THR  49           HB       THR  49  -8.344 -11.342   1.570
  362    HG1  THR  49           HG1      THR  49  -6.545  -9.686   0.107
  363   1HG2  THR  49          HG23      THR  49  -8.271 -12.523  -0.690
  364   2HG2  THR  49          HG22      THR  49  -6.938 -11.458  -1.127
  365   3HG2  THR  49          HG21      THR  49  -6.755 -12.597   0.204
  366    H    LYS  50           HN       LYS  50  -9.101  -7.762  -1.243
  367    HA   LYS  50           HA       LYS  50  -8.848  -5.496  -0.678
  368   1HB   LYS  50           HB2      LYS  50  -9.715  -6.295   2.103
  369   2HB   LYS  50           HB1      LYS  50  -9.970  -4.757   1.288
  370   1HG   LYS  50           HG2      LYS  50 -11.232  -6.263  -0.490
  371   2HG   LYS  50           HG1      LYS  50 -11.369  -7.382   0.862
  372   1HD   LYS  50           HD2      LYS  50 -13.276  -6.124   1.241
  373   2HD   LYS  50           HD1      LYS  50 -12.122  -5.147   2.140
  374   1HE   LYS  50           HE2      LYS  50 -11.753  -3.778   0.063
  375   2HE   LYS  50           HE1      LYS  50 -13.034  -4.695  -0.720
  376   1HZ   LYS  50           HZ1      LYS  50 -13.333  -3.057   1.737
  377   2HZ   LYS  50           HZ3      LYS  50 -13.858  -2.622   0.182
  378   3HZ   LYS  50           HZ2      LYS  50 -14.569  -3.942   0.981
  379    H    THR  51           HN       THR  51  -6.509  -6.385  -0.854
  380    HA   THR  51           HA       THR  51  -5.057  -5.431   1.567
  381    HB   THR  51           HB       THR  51  -4.804  -8.164   0.275
  382    HG1  THR  51           HG1      THR  51  -5.065  -6.953   2.825
  383   1HG2  THR  51          HG22      THR  51  -2.763  -6.781   2.061
  384   2HG2  THR  51          HG21      THR  51  -2.744  -8.479   1.617
  385   3HG2  THR  51          HG23      THR  51  -2.472  -7.249   0.390
  386    H    PHE  52           HN       PHE  52  -3.697  -3.843   0.872
  387    HA   PHE  52           HA       PHE  52  -2.985  -3.668  -1.966
  388   1HB   PHE  52           HB2      PHE  52  -3.024  -1.887   0.321
  389   2HB   PHE  52           HB1      PHE  52  -1.513  -1.758  -0.568
  390    HD1  PHE  52           HD1      PHE  52  -1.520  -1.068  -2.964
  391    HD2  PHE  52           HD2      PHE  52  -5.120  -1.301  -0.735
  392    HE1  PHE  52           HE1      PHE  52  -2.715   0.168  -4.729
  393    HE2  PHE  52           HE2      PHE  52  -6.263   0.060  -2.394
  394    HZ   PHE  52           HZ       PHE  52  -5.053   0.845  -4.372
  395    H    THR  53           HN       THR  53  -0.692  -3.414  -2.623
  396    HA   THR  53           HA       THR  53   1.366  -4.355  -0.774
  397    HB   THR  53           HB       THR  53   0.391  -6.142  -3.023
  398    HG1  THR  53           HG1      THR  53   0.626  -7.519  -1.025
  399   1HG2  THR  53          HG21      THR  53   3.061  -5.898  -1.697
  400   2HG2  THR  53          HG23      THR  53   2.393  -7.522  -1.828
  401   3HG2  THR  53          HG22      THR  53   2.671  -6.565  -3.279
  402    H    VAL  54           HN       VAL  54   3.258  -3.479  -1.315
  403    HA   VAL  54           HA       VAL  54   3.666  -2.598  -4.147
  404    HB   VAL  54           HB       VAL  54   3.059  -0.688  -2.620
  405   1HG1  VAL  54          HG13      VAL  54   4.194  -1.751  -0.626
  406   2HG1  VAL  54          HG12      VAL  54   5.734  -1.267  -1.327
  407   3HG1  VAL  54          HG11      VAL  54   4.557  -0.048  -0.857
  408   1HG2  VAL  54          HG21      VAL  54   5.848  -0.774  -3.804
  409   2HG2  VAL  54          HG23      VAL  54   4.389  -0.149  -4.552
  410   3HG2  VAL  54          HG22      VAL  54   5.111   0.696  -3.191
  411    H    THR  55           HN       THR  55   5.844  -2.626  -4.838
  412    HA   THR  55           HA       THR  55   7.829  -3.843  -2.991
  413    HB   THR  55           HB       THR  55   7.149  -5.040  -5.714
  414    HG1  THR  55           HG1      THR  55   5.605  -5.533  -4.182
  415   1HG2  THR  55          HG22      THR  55   9.359  -5.399  -3.763
  416   2HG2  THR  55          HG21      THR  55   8.539  -6.889  -4.226
  417   3HG2  THR  55          HG23      THR  55   9.282  -5.874  -5.454
  418    H    GLU  56           HN       GLU  56   9.519  -2.465  -3.105
  419    HA   GLU  56           HA       GLU  56   9.969  -0.610  -5.224
  420   1HB   GLU  56           HB2      GLU  56  11.078  -1.062  -2.728
  421   2HB   GLU  56           HB1      GLU  56  12.407  -1.426  -3.818
  422   1HG   GLU  56           HG2      GLU  56  10.746   1.120  -3.858
  423   2HG   GLU  56           HG1      GLU  56  12.384   0.977  -3.225
   
  Start of MODEL          36
 Raw file had 423 H/Q atoms
  Entry Start of MODEL   36
    1   1H    MET   1           HT1      MET   1 -13.811   2.070   4.608
    2   2H    MET   1           HT3      MET   1 -13.683   2.001   2.916
    3   3H    MET   1           HT2      MET   1 -15.025   1.311   3.695
    4    HA   MET   1           HA       MET   1 -13.690  -0.376   4.685
    5   1HB   MET   1           HB2      MET   1 -12.979  -0.039   1.759
    6   2HB   MET   1           HB1      MET   1 -12.873  -1.539   2.672
    7   1HG   MET   1           HG2      MET   1 -15.334  -1.233   3.213
    8   2HG   MET   1           HG1      MET   1 -15.356   0.062   2.047
    9   1HE   MET   1           HE2      MET   1 -14.748  -0.080  -0.249
   10   2HE   MET   1           HE1      MET   1 -15.372  -1.353  -1.297
   11   3HE   MET   1           HE3      MET   1 -16.478  -0.424  -0.285
   12    H    THR   2           HN       THR   2 -11.560  -1.398   4.820
   13    HA   THR   2           HA       THR   2  -9.306   0.560   4.577
   14    HB   THR   2           HB       THR   2  -9.622  -1.397   6.887
   15    HG1  THR   2           HG1      THR   2 -10.893   0.887   6.246
   16   1HG2  THR   2          HG21      THR   2  -7.385  -0.042   6.091
   17   2HG2  THR   2          HG23      THR   2  -8.171   1.198   7.063
   18   3HG2  THR   2          HG22      THR   2  -7.756  -0.356   7.782
   19    OH   TYR   3           OH       TYR   3 -11.674   0.111  -0.843
   20    H    TYR   3           HN       TYR   3  -7.692  -0.214   3.375
   21    HA   TYR   3           HA       TYR   3  -7.586  -3.157   2.888
   22   1HB   TYR   3           HB2      TYR   3  -6.063  -1.065   1.347
   23   2HB   TYR   3           HB1      TYR   3  -6.488  -2.691   0.845
   24    HD1  TYR   3           HD1      TYR   3  -8.023   0.586   1.791
   25    HD2  TYR   3           HD2      TYR   3  -8.502  -3.070  -0.316
   26    HE1  TYR   3           HE1      TYR   3 -10.120   1.414   0.827
   27    HE2  TYR   3           HE2      TYR   3 -10.592  -2.241  -1.289
   28    HH   TYR   3           HH       TYR   3 -12.383  -0.471  -0.561
   29    H    LYS   4           HN       LYS   4  -5.506  -4.198   2.844
   30    HA   LYS   4           HA       LYS   4  -3.662  -3.046   4.887
   31   1HB   LYS   4           HB2      LYS   4  -4.830  -5.409   5.011
   32   2HB   LYS   4           HB1      LYS   4  -3.547  -5.882   3.912
   33   1HG   LYS   4           HG2      LYS   4  -2.113  -4.495   5.794
   34   2HG   LYS   4           HG1      LYS   4  -3.395  -5.172   6.789
   35   1HD   LYS   4           HD2      LYS   4  -1.659  -6.789   4.887
   36   2HD   LYS   4           HD1      LYS   4  -1.404  -6.676   6.623
   37   1HE   LYS   4           HE2      LYS   4  -3.635  -7.628   7.037
   38   2HE   LYS   4           HE1      LYS   4  -3.941  -7.705   5.309
   39   1HZ   LYS   4           HZ2      LYS   4  -1.502  -8.968   5.842
   40   2HZ   LYS   4           HZ1      LYS   4  -2.667  -9.588   6.910
   41   3HZ   LYS   4           HZ3      LYS   4  -2.936  -9.645   5.234
   42    H    LEU   5           HN       LEU   5  -1.838  -2.160   4.095
   43    HA   LEU   5           HA       LEU   5  -0.931  -2.857   1.392
   44   1HB   LEU   5           HB2      LEU   5  -0.774  -0.523   1.998
   45   2HB   LEU   5           HB1      LEU   5   0.060  -0.900   3.496
   46    HG   LEU   5           HG       LEU   5   2.020  -1.754   2.107
   47   1HD1  LEU   5          HD13      LEU   5   0.415  -0.500  -0.142
   48   2HD1  LEU   5          HD12      LEU   5   2.079  -1.046  -0.271
   49   3HD1  LEU   5          HD11      LEU   5   0.795  -2.211   0.007
   50   1HD2  LEU   5          HD22      LEU   5   1.802   0.596   3.051
   51   2HD2  LEU   5          HD21      LEU   5   2.883   0.432   1.673
   52   3HD2  LEU   5          HD23      LEU   5   1.270   1.095   1.450
   53    H    ILE   6           HN       ILE   6   1.142  -3.724   0.933
   54    HA   ILE   6           HA       ILE   6   2.555  -5.019   3.181
   55    HB   ILE   6           HB       ILE   6   2.079  -6.299   0.481
   56   1HG1  ILE   6          HG12      ILE   6   0.723  -6.668   3.167
   57   2HG1  ILE   6          HG11      ILE   6  -0.035  -6.263   1.634
   58   1HG2  ILE   6          HG23      ILE   6   4.180  -6.884   1.885
   59   2HG2  ILE   6          HG22      ILE   6   3.057  -7.604   3.030
   60   3HG2  ILE   6          HG21      ILE   6   3.159  -8.223   1.385
   61   1HD1  ILE   6           HD1      ILE   6   0.914  -8.515   0.778
   62   2HD1  ILE   6           HD3      ILE   6   1.182  -8.899   2.476
   63   3HD1  ILE   6           HD2      ILE   6  -0.445  -8.589   1.891
   64    H    LEU   7           HN       LEU   7   4.344  -3.784   3.259
   65    HA   LEU   7           HA       LEU   7   5.586  -2.751   0.831
   66   1HB   LEU   7           HB2      LEU   7   6.329  -2.662   3.748
   67   2HB   LEU   7           HB1      LEU   7   7.379  -2.004   2.500
   68    HG   LEU   7           HG       LEU   7   4.579  -1.157   2.207
   69   1HD1  LEU   7          HD12      LEU   7   6.150  -0.318   4.669
   70   2HD1  LEU   7          HD11      LEU   7   4.627   0.390   4.139
   71   3HD1  LEU   7          HD13      LEU   7   4.678  -1.284   4.679
   72   1HD2  LEU   7          HD23      LEU   7   6.516  -0.185   0.990
   73   2HD2  LEU   7          HD22      LEU   7   5.688   1.035   1.951
   74   3HD2  LEU   7          HD21      LEU   7   7.205   0.343   2.521
   75    H    ASN   8           HN       ASN   8   6.786  -3.970  -0.455
   76    HA   ASN   8           HA       ASN   8   8.304  -6.239   0.746
   77   1HB   ASN   8           HB2      ASN   8   6.761  -5.897  -1.664
   78   2HB   ASN   8           HB1      ASN   8   8.403  -6.332  -2.089
   79   1HD2  ASN   8          HD22      ASN   8   6.055  -9.234  -1.036
   80   2HD2  ASN   8          HD21      ASN   8   5.622  -7.791  -1.805
   81    H    GLY   9           HN       GLY   9   9.248  -3.605   1.084
   82   1HA   GLY   9           HA2      GLY   9  11.071  -2.657  -0.824
   83   2HA   GLY   9           HA1      GLY   9  11.297  -2.460   0.905
   84    H    LYS  10           HN       LYS  10  13.047  -3.239  -1.503
   85    HA   LYS  10           HA       LYS  10  13.953  -5.930  -1.017
   86   1HB   LYS  10           HB2      LYS  10  15.913  -5.294  -2.370
   87   2HB   LYS  10           HB1      LYS  10  14.426  -4.738  -3.128
   88   1HG   LYS  10           HG2      LYS  10  14.919  -2.558  -1.663
   89   2HG   LYS  10           HG1      LYS  10  16.573  -3.150  -1.777
   90   1HD   LYS  10           HD2      LYS  10  16.042  -3.415  -4.325
   91   2HD   LYS  10           HD1      LYS  10  14.713  -2.311  -3.998
   92   1HE   LYS  10           HE2      LYS  10  16.436  -0.777  -2.892
   93   2HE   LYS  10           HE1      LYS  10  17.673  -1.817  -3.586
   94   1HZ   LYS  10           HZ1      LYS  10  15.548  -0.618  -5.247
   95   2HZ   LYS  10           HZ3      LYS  10  16.986   0.215  -4.900
   96   3HZ   LYS  10           HZ2      LYS  10  17.042  -1.261  -5.738
   97    H    THR  11           HN       THR  11  14.318  -3.015   0.644
   98    HA   THR  11           HA       THR  11  16.435  -4.223   2.360
   99    HB   THR  11           HB       THR  11  16.978  -1.611   2.687
  100    HG1  THR  11           HG1      THR  11  15.136  -1.296   1.180
  101   1HG2  THR  11          HG21      THR  11  17.792  -3.410   0.388
  102   2HG2  THR  11          HG23      THR  11  18.455  -1.788   0.561
  103   3HG2  THR  11          HG22      THR  11  18.741  -2.993   1.812
  104    H    LEU  12           HN       LEU  12  13.311  -3.085   2.132
  105    HA   LEU  12           HA       LEU  12  13.103  -2.977   5.085
  106   1HB   LEU  12           HB2      LEU  12  13.588  -0.627   4.233
  107   2HB   LEU  12           HB1      LEU  12  12.015  -0.686   3.446
  108    HG   LEU  12           HG       LEU  12  11.294  -1.519   5.915
  109   1HD1  LEU  12          HD12      LEU  12  13.780  -1.178   6.573
  110   2HD1  LEU  12          HD11      LEU  12  13.425   0.545   6.494
  111   3HD1  LEU  12          HD13      LEU  12  12.560  -0.481   7.634
  112   1HD2  LEU  12          HD23      LEU  12  11.693   1.342   4.978
  113   2HD2  LEU  12          HD22      LEU  12  10.261   0.348   4.731
  114   3HD2  LEU  12          HD21      LEU  12  10.692   0.883   6.352
  115    H    LYS  13           HN       LYS  13  11.653  -4.605   5.256
  116    HA   LYS  13           HA       LYS  13   9.258  -4.567   3.494
  117   1HB   LYS  13           HB2      LYS  13  10.233  -6.702   5.401
  118   2HB   LYS  13           HB1      LYS  13   8.861  -6.853   4.313
  119   1HG   LYS  13           HG2      LYS  13  10.259  -6.724   2.375
  120   2HG   LYS  13           HG1      LYS  13  11.638  -6.174   3.321
  121   1HD   LYS  13           HD2      LYS  13  10.417  -8.798   4.070
  122   2HD   LYS  13           HD1      LYS  13  11.369  -8.742   2.590
  123   1HE   LYS  13           HE2      LYS  13  12.441  -7.521   5.130
  124   2HE   LYS  13           HE1      LYS  13  12.589  -9.251   4.850
  125   1HZ   LYS  13           HZ1      LYS  13  13.571  -7.122   3.033
  126   2HZ   LYS  13           HZ3      LYS  13  14.531  -8.056   4.077
  127   3HZ   LYS  13           HZ2      LYS  13  13.725  -8.794   2.777
  128    H    GLY  14           HN       GLY  14   7.242  -4.176   4.276
  129   1HA   GLY  14           HA2      GLY  14   6.741  -4.204   7.179
  130   2HA   GLY  14           HA1      GLY  14   6.651  -2.617   6.420
  131    H    GLU  15           HN       GLU  15   4.382  -2.931   7.346
  132    HA   GLU  15           HA       GLU  15   2.544  -3.375   5.207
  133   1HB   GLU  15           HB2      GLU  15   1.371  -5.362   6.434
  134   2HB   GLU  15           HB1      GLU  15   2.756  -5.700   5.404
  135   1HG   GLU  15           HG2      GLU  15   4.178  -6.083   7.208
  136   2HG   GLU  15           HG1      GLU  15   3.245  -5.057   8.294
  137    H    THR  16           HN       THR  16   0.838  -2.113   5.663
  138    HA   THR  16           HA       THR  16  -0.087  -1.894   8.480
  139    HB   THR  16           HB       THR  16   1.480   0.013   8.208
  140    HG1  THR  16           HG1      THR  16  -1.103   1.063   7.884
  141   1HG2  THR  16          HG21      THR  16   0.334   0.111   5.581
  142   2HG2  THR  16          HG23      THR  16  -0.112   1.595   6.413
  143   3HG2  THR  16          HG22      THR  16   1.586   1.157   6.238
  144    H    THR  17           HN       THR  17  -2.069  -0.146   8.333
  145    HA   THR  17           HA       THR  17  -3.704  -0.880   5.939
  146    HB   THR  17           HB       THR  17  -5.534  -1.629   7.270
  147    HG1  THR  17           HG1      THR  17  -5.844  -0.242   8.853
  148   1HG2  THR  17          HG23      THR  17  -3.274  -3.003   7.632
  149   2HG2  THR  17          HG22      THR  17  -3.375  -2.316   9.248
  150   3HG2  THR  17          HG21      THR  17  -4.676  -3.335   8.640
  151    H    THR  18           HN       THR  18  -4.929   0.745   5.138
  152    HA   THR  18           HA       THR  18  -5.153   3.256   6.760
  153    HB   THR  18           HB       THR  18  -3.499   3.254   4.702
  154    HG1  THR  18           HG1      THR  18  -4.795   4.971   5.995
  155   1HG2  THR  18          HG23      THR  18  -5.533   2.316   3.246
  156   2HG2  THR  18          HG22      THR  18  -6.032   4.004   3.259
  157   3HG2  THR  18          HG21      THR  18  -4.472   3.553   2.579
  158    H    GLU  19           HN       GLU  19  -7.079   4.403   6.573
  159    HA   GLU  19           HA       GLU  19  -9.356   2.802   5.575
  160   1HB   GLU  19           HB2      GLU  19  -9.498   3.800   7.818
  161   2HB   GLU  19           HB1      GLU  19  -9.288   5.403   7.125
  162   1HG   GLU  19           HG2      GLU  19 -11.489   3.644   6.078
  163   2HG   GLU  19           HG1      GLU  19 -11.723   4.487   7.605
  164    H    ALA  20           HN       ALA  20 -10.062   3.092   3.566
  165    HA   ALA  20           HA       ALA  20 -10.162   5.858   2.462
  166   1HB   ALA  20           HB2      ALA  20  -8.983   3.444   1.067
  167   2HB   ALA  20           HB1      ALA  20  -9.344   4.968   0.266
  168   3HB   ALA  20           HB3      ALA  20  -8.127   4.907   1.537
  169    H    VAL  21           HN       VAL  21 -11.562   5.947   0.478
  170    HA   VAL  21           HA       VAL  21 -13.906   4.157   0.886
  171    HB   VAL  21           HB       VAL  21 -14.327   6.582   0.971
  172   1HG1  VAL  21          HG12      VAL  21 -12.384   6.969  -0.760
  173   2HG1  VAL  21          HG11      VAL  21 -13.655   6.769  -1.960
  174   3HG1  VAL  21          HG13      VAL  21 -13.767   8.056  -0.765
  175   1HG2  VAL  21          HG22      VAL  21 -16.065   5.027   0.049
  176   2HG2  VAL  21          HG21      VAL  21 -16.174   6.646  -0.633
  177   3HG2  VAL  21          HG23      VAL  21 -15.452   5.344  -1.570
  178    H    ASP  22           HN       ASP  22 -12.015   5.543  -1.803
  179    HA   ASP  22           HA       ASP  22 -12.913   3.247  -3.500
  180   1HB   ASP  22           HB2      ASP  22 -12.558   4.630  -5.421
  181   2HB   ASP  22           HB1      ASP  22 -13.428   5.623  -4.254
  182    H    ALA  23           HN       ALA  23 -11.294   2.502  -5.110
  183    HA   ALA  23           HA       ALA  23  -8.821   1.815  -3.765
  184   1HB   ALA  23           HB1      ALA  23 -10.118   1.189  -6.365
  185   2HB   ALA  23           HB3      ALA  23  -8.368   1.010  -6.294
  186   3HB   ALA  23           HB2      ALA  23  -9.392   0.105  -5.184
  187    H    ALA  24           HN       ALA  24  -9.761   4.194  -6.145
  188    HA   ALA  24           HA       ALA  24  -7.179   4.866  -7.143
  189   1HB   ALA  24           HB1      ALA  24  -9.695   5.733  -7.671
  190   2HB   ALA  24           HB3      ALA  24  -9.086   7.098  -6.741
  191   3HB   ALA  24           HB2      ALA  24  -8.250   6.586  -8.203
  192    H    THR  25           HN       THR  25  -9.049   6.551  -4.617
  193    HA   THR  25           HA       THR  25  -6.931   8.232  -3.757
  194    HB   THR  25           HB       THR  25  -9.489   8.254  -3.089
  195    HG1  THR  25           HG1      THR  25  -7.662   9.626  -2.439
  196   1HG2  THR  25          HG22      THR  25  -9.061   5.944  -1.845
  197   2HG2  THR  25          HG21      THR  25  -8.345   6.975  -0.610
  198   3HG2  THR  25          HG23      THR  25 -10.035   7.181  -1.058
  199    H    ALA  26           HN       ALA  26  -7.627   4.886  -3.058
  200    HA   ALA  26           HA       ALA  26  -5.958   4.649  -0.724
  201   1HB   ALA  26           HB2      ALA  26  -7.645   2.947  -1.368
  202   2HB   ALA  26           HB1      ALA  26  -6.666   2.528  -2.770
  203   3HB   ALA  26           HB3      ALA  26  -6.050   2.233  -1.148
  204    H    GLU  27           HN       GLU  27  -5.355   4.324  -4.181
  205    HA   GLU  27           HA       GLU  27  -2.695   3.326  -4.028
  206   1HB   GLU  27           HB2      GLU  27  -4.115   5.029  -6.083
  207   2HB   GLU  27           HB1      GLU  27  -2.472   4.448  -6.309
  208   1HG   GLU  27           HG2      GLU  27  -3.325   2.101  -5.915
  209   2HG   GLU  27           HG1      GLU  27  -4.958   2.758  -5.917
  210    H    LYS  28           HN       LYS  28  -3.995   6.592  -3.904
  211    HA   LYS  28           HA       LYS  28  -1.334   7.820  -3.859
  212   1HB   LYS  28           HB2      LYS  28  -3.785   9.292  -2.987
  213   2HB   LYS  28           HB1      LYS  28  -2.438   9.851  -3.974
  214   1HG   LYS  28           HG2      LYS  28  -3.234   8.243  -5.778
  215   2HG   LYS  28           HG1      LYS  28  -4.680   7.989  -4.810
  216   1HD   LYS  28           HD2      LYS  28  -5.146  10.423  -4.875
  217   2HD   LYS  28           HD1      LYS  28  -3.711  10.665  -5.864
  218   1HE   LYS  28           HE2      LYS  28  -4.744   8.949  -7.487
  219   2HE   LYS  28           HE1      LYS  28  -6.238   9.165  -6.583
  220   1HZ   LYS  28           HZ2      LYS  28  -5.176  11.687  -7.167
  221   2HZ   LYS  28           HZ1      LYS  28  -5.198  10.778  -8.602
  222   3HZ   LYS  28           HZ3      LYS  28  -6.628  10.998  -7.714
  223    H    VAL  29           HN       VAL  29  -3.903   7.154  -1.524
  224    HA   VAL  29           HA       VAL  29  -2.791   8.468   0.719
  225    HB   VAL  29           HB       VAL  29  -4.459   5.954   0.521
  226   1HG1  VAL  29          HG11      VAL  29  -3.412   7.477   2.911
  227   2HG1  VAL  29          HG13      VAL  29  -4.922   6.576   3.004
  228   3HG1  VAL  29          HG12      VAL  29  -3.418   5.737   2.638
  229   1HG2  VAL  29          HG22      VAL  29  -5.128   8.542  -0.013
  230   2HG2  VAL  29          HG21      VAL  29  -6.268   7.362   0.628
  231   3HG2  VAL  29          HG23      VAL  29  -5.455   8.482   1.717
  232    H    PHE  30           HN       PHE  30  -2.481   5.021  -0.129
  233    HA   PHE  30           HA       PHE  30  -0.515   4.445   1.861
  234   1HB   PHE  30           HB2      PHE  30  -1.438   3.117  -0.656
  235   2HB   PHE  30           HB1      PHE  30   0.058   2.554   0.078
  236    HD1  PHE  30           HD1      PHE  30  -0.166   2.353   2.808
  237    HD2  PHE  30           HD2      PHE  30  -3.370   1.990   0.022
  238    HE1  PHE  30           HE1      PHE  30  -1.474   1.087   4.463
  239    HE2  PHE  30           HE2      PHE  30  -4.650   0.720   1.677
  240    HZ   PHE  30           HZ       PHE  30  -3.699   0.229   3.879
  241    H    LYS  31           HN       LYS  31  -0.210   5.417  -1.533
  242    HA   LYS  31           HA       LYS  31   2.598   5.165  -1.774
  243   1HB   LYS  31           HB2      LYS  31   1.163   5.654  -3.696
  244   2HB   LYS  31           HB1      LYS  31   0.772   7.234  -3.017
  245   1HG   LYS  31           HG2      LYS  31   3.036   7.999  -3.254
  246   2HG   LYS  31           HG1      LYS  31   3.620   6.375  -3.597
  247   1HD   LYS  31           HD2      LYS  31   2.229   6.361  -5.679
  248   2HD   LYS  31           HD1      LYS  31   1.773   8.029  -5.351
  249   1HE   LYS  31           HE2      LYS  31   4.554   8.042  -5.113
  250   2HE   LYS  31           HE1      LYS  31   4.258   6.977  -6.482
  251   1HZ   LYS  31           HZ3      LYS  31   3.171   9.719  -6.165
  252   2HZ   LYS  31           HZ2      LYS  31   4.468   9.278  -7.169
  253   3HZ   LYS  31           HZ1      LYS  31   2.907   8.693  -7.493
  254    H    GLN  32           HN       GLN  32   0.644   7.698  -0.337
  255    HA   GLN  32           HA       GLN  32   2.794   9.573   0.047
  256   1HB   GLN  32           HB2      GLN  32   0.408  10.216   0.189
  257   2HB   GLN  32           HB1      GLN  32   0.233   9.230   1.636
  258   1HG   GLN  32           HG2      GLN  32   2.388  11.330   1.539
  259   2HG   GLN  32           HG1      GLN  32   0.727  11.810   1.878
  260   1HE2  GLN  32          HE22      GLN  32   2.870  10.368   4.872
  261   2HE2  GLN  32          HE21      GLN  32   3.502  11.060   3.457
  262    OH   TYR  33           OH       TYR  33   4.668   2.756   8.238
  263    H    TYR  33           HN       TYR  33   1.680   6.765   1.755
  264    HA   TYR  33           HA       TYR  33   3.208   7.308   4.180
  265   1HB   TYR  33           HB2      TYR  33   1.196   5.926   4.301
  266   2HB   TYR  33           HB1      TYR  33   1.892   4.778   3.164
  267    HD1  TYR  33           HD1      TYR  33   3.924   3.463   3.829
  268    HD2  TYR  33           HD2      TYR  33   1.825   5.886   6.621
  269    HE1  TYR  33           HE1      TYR  33   5.027   2.290   5.674
  270    HE2  TYR  33           HE2      TYR  33   2.925   4.711   8.470
  271    HH   TYR  33           HH       TYR  33   4.988   3.413   8.861
  272    H    ALA  34           HN       ALA  34   3.485   4.848   1.628
  273    HA   ALA  34           HA       ALA  34   5.949   3.736   2.341
  274   1HB   ALA  34           HB3      ALA  34   4.677   4.237  -0.343
  275   2HB   ALA  34           HB2      ALA  34   6.250   3.458  -0.217
  276   3HB   ALA  34           HB1      ALA  34   4.839   2.716   0.528
  277    H    ASN  35           HN       ASN  35   5.299   6.757   0.674
  278    HA   ASN  35           HA       ASN  35   7.952   7.364  -0.159
  279   1HB   ASN  35           HB2      ASN  35   5.825   8.601  -0.788
  280   2HB   ASN  35           HB1      ASN  35   5.912   9.386   0.787
  281   1HD2  ASN  35          HD22      ASN  35   9.432  10.298  -0.797
  282   2HD2  ASN  35          HD21      ASN  35   9.070   8.836  -0.013
  283    H    ASP  36           HN       ASP  36   6.258   8.054   2.870
  284    HA   ASP  36           HA       ASP  36   8.424   9.516   4.073
  285   1HB   ASP  36           HB2      ASP  36   6.215   7.944   5.428
  286   2HB   ASP  36           HB1      ASP  36   7.201   9.200   6.172
  287    H    ASN  37           HN       ASN  37   8.207   6.324   3.197
  288    HA   ASN  37           HA       ASN  37  10.102   5.444   5.346
  289   1HB   ASN  37           HB2      ASN  37   8.049   3.988   3.708
  290   2HB   ASN  37           HB1      ASN  37   9.422   3.108   4.374
  291   1HD2  ASN  37          HD22      ASN  37   6.544   4.590   6.889
  292   2HD2  ASN  37          HD21      ASN  37   6.619   5.123   5.278
  293    H    GLY  38           HN       GLY  38   9.650   5.924   1.953
  294   1HA   GLY  38           HA2      GLY  38  11.485   6.167   0.409
  295   2HA   GLY  38           HA1      GLY  38  12.505   5.256   1.519
  296    H    VAL  39           HN       VAL  39   9.400   4.640  -0.132
  297    HA   VAL  39           HA       VAL  39  10.625   2.252  -1.412
  298    HB   VAL  39           HB       VAL  39   8.159   2.213   0.344
  299   1HG1  VAL  39          HG11      VAL  39   9.099   0.422  -1.864
  300   2HG1  VAL  39          HG13      VAL  39   8.418  -0.343  -0.432
  301   3HG1  VAL  39          HG12      VAL  39   7.456   0.803  -1.358
  302   1HG2  VAL  39          HG21      VAL  39  10.804   0.712   0.407
  303   2HG2  VAL  39          HG23      VAL  39  10.299   1.966   1.535
  304   3HG2  VAL  39          HG22      VAL  39   9.459   0.420   1.504
  305    H    ASP  40           HN       ASP  40  10.412   3.226  -3.428
  306    HA   ASP  40           HA       ASP  40   7.598   3.467  -4.407
  307   1HB   ASP  40           HB2      ASP  40   9.869   5.416  -4.821
  308   2HB   ASP  40           HB1      ASP  40   8.438   5.396  -5.848
  309    H    GLY  41           HN       GLY  41   7.253   2.233  -6.135
  310   1HA   GLY  41           HA2      GLY  41   9.062   2.008  -8.350
  311   2HA   GLY  41           HA1      GLY  41   9.207   0.578  -7.331
  312    H    GLU  42           HN       GLU  42   7.686  -0.993  -7.496
  313    HA   GLU  42           HA       GLU  42   5.501  -0.541  -9.472
  314   1HB   GLU  42           HB2      GLU  42   6.153  -3.213  -8.302
  315   2HB   GLU  42           HB1      GLU  42   5.546  -2.827  -9.906
  316   1HG   GLU  42           HG2      GLU  42   7.782  -1.688 -10.355
  317   2HG   GLU  42           HG1      GLU  42   8.357  -2.395  -8.848
  318    CH2  TRP  43           CH2      TRP  43   2.083   2.592  -2.249
  319    H    TRP  43           HN       TRP  43   3.368  -0.798  -8.932
  320    HA   TRP  43           HA       TRP  43   2.779  -1.324  -6.037
  321   1HB   TRP  43           HB2      TRP  43   1.705   0.723  -7.949
  322   2HB   TRP  43           HB1      TRP  43   0.746   0.211  -6.571
  323    HD1  TRP  43           HD1      TRP  43   4.310   1.491  -7.340
  324    HE1  TRP  43           HE1      TRP  43   5.024   2.866  -5.325
  325    HE3  TRP  43           HE3      TRP  43   0.363   0.704  -4.422
  326    HZ2  TRP  43           HZ2      TRP  43   3.987   3.483  -2.616
  327    HZ3  TRP  43           HZ3      TRP  43   0.203   1.593  -2.153
  328    HH2  TRP  43           HH2      TRP  43   2.012   2.977  -1.242
  329    H    THR  44           HN       THR  44   1.203  -2.737  -5.557
  330    HA   THR  44           HA       THR  44  -0.372  -3.890  -7.834
  331    HB   THR  44           HB       THR  44  -0.253  -6.063  -6.370
  332    HG1  THR  44           HG1      THR  44   1.726  -4.294  -5.357
  333   1HG2  THR  44          HG23      THR  44   1.816  -4.838  -8.112
  334   2HG2  THR  44          HG22      THR  44   2.418  -6.087  -7.027
  335   3HG2  THR  44          HG21      THR  44   1.135  -6.460  -8.174
  336    OH   TYR  45           OH       TYR  45  -8.856  -1.286  -3.118
  337    H    TYR  45           HN       TYR  45  -2.335  -5.078  -7.058
  338    HA   TYR  45           HA       TYR  45  -3.521  -3.962  -4.565
  339   1HB   TYR  45           HB2      TYR  45  -4.029  -2.556  -6.690
  340   2HB   TYR  45           HB1      TYR  45  -5.038  -3.916  -7.183
  341    HD1  TYR  45           HD1      TYR  45  -6.546  -4.752  -4.845
  342    HD2  TYR  45           HD2      TYR  45  -5.315  -0.818  -5.880
  343    HE1  TYR  45           HE1      TYR  45  -8.318  -3.831  -3.449
  344    HE2  TYR  45           HE2      TYR  45  -7.129   0.100  -4.525
  345    HH   TYR  45           HH       TYR  45  -8.459  -0.833  -2.370
  346    H    ASP  46           HN       ASP  46  -4.512  -5.571  -3.482
  347    HA   ASP  46           HA       ASP  46  -5.175  -8.077  -4.971
  348   1HB   ASP  46           HB2      ASP  46  -3.582  -8.063  -2.944
  349   2HB   ASP  46           HB1      ASP  46  -5.028  -7.801  -1.976
  350    H    ASP  47           HN       ASP  47  -7.162  -6.937  -5.715
  351    HA   ASP  47           HA       ASP  47  -9.208  -6.155  -3.847
  352   1HB   ASP  47           HB2      ASP  47  -9.229  -5.387  -6.176
  353   2HB   ASP  47           HB1      ASP  47  -9.444  -7.045  -6.734
  354    H    ALA  48           HN       ALA  48  -7.897  -9.082  -4.166
  355    HA   ALA  48           HA       ALA  48 -10.365 -10.685  -4.193
  356   1HB   ALA  48           HB3      ALA  48  -8.135 -11.432  -5.180
  357   2HB   ALA  48           HB2      ALA  48  -7.577 -11.638  -3.522
  358   3HB   ALA  48           HB1      ALA  48  -8.928 -12.595  -4.121
  359    H    THR  49           HN       THR  49  -8.371  -9.118  -1.882
  360    HA   THR  49           HA       THR  49 -10.078 -10.178   0.287
  361    HB   THR  49           HB       THR  49  -7.813 -10.562   1.629
  362    HG1  THR  49           HG1      THR  49  -6.149 -10.444   0.326
  363   1HG2  THR  49          HG21      THR  49  -9.462 -12.382   0.835
  364   2HG2  THR  49          HG23      THR  49  -8.472 -12.499  -0.615
  365   3HG2  THR  49          HG22      THR  49  -7.779 -12.884   0.957
  366    H    LYS  50           HN       LYS  50  -9.126  -7.592  -1.162
  367    HA   LYS  50           HA       LYS  50  -8.818  -5.355  -0.545
  368   1HB   LYS  50           HB2      LYS  50  -9.657  -6.189   2.232
  369   2HB   LYS  50           HB1      LYS  50  -9.879  -4.626   1.455
  370   1HG   LYS  50           HG2      LYS  50 -11.324  -5.817  -0.271
  371   2HG   LYS  50           HG1      LYS  50 -11.259  -7.236   0.769
  372   1HD   LYS  50           HD2      LYS  50 -12.161  -5.840   2.648
  373   2HD   LYS  50           HD1      LYS  50 -12.331  -4.496   1.523
  374   1HE   LYS  50           HE2      LYS  50 -14.429  -5.370   1.233
  375   2HE   LYS  50           HE1      LYS  50 -13.594  -6.439   0.113
  376   1HZ   LYS  50           HZ2      LYS  50 -13.210  -7.739   2.388
  377   2HZ   LYS  50           HZ1      LYS  50 -14.696  -6.995   2.739
  378   3HZ   LYS  50           HZ3      LYS  50 -14.553  -8.003   1.380
  379    H    THR  51           HN       THR  51  -6.510  -6.223  -0.794
  380    HA   THR  51           HA       THR  51  -4.995  -5.366   1.614
  381    HB   THR  51           HB       THR  51  -4.874  -8.104   0.334
  382    HG1  THR  51           HG1      THR  51  -5.866  -8.128   2.238
  383   1HG2  THR  51          HG21      THR  51  -2.663  -6.736   1.913
  384   2HG2  THR  51          HG23      THR  51  -2.742  -8.457   1.580
  385   3HG2  THR  51          HG22      THR  51  -2.517  -7.318   0.259
  386    H    PHE  52           HN       PHE  52  -3.714  -3.737   0.859
  387    HA   PHE  52           HA       PHE  52  -3.032  -3.589  -1.974
  388   1HB   PHE  52           HB2      PHE  52  -3.029  -1.811   0.296
  389   2HB   PHE  52           HB1      PHE  52  -1.505  -1.715  -0.572
  390    HD1  PHE  52           HD1      PHE  52  -1.494  -1.126  -3.017
  391    HD2  PHE  52           HD2      PHE  52  -5.066  -1.107  -0.740
  392    HE1  PHE  52           HE1      PHE  52  -2.635   0.142  -4.795
  393    HE2  PHE  52           HE2      PHE  52  -6.161   0.268  -2.429
  394    HZ   PHE  52           HZ       PHE  52  -4.935   0.930  -4.447
  395    H    THR  53           HN       THR  53  -0.723  -3.281  -2.640
  396    HA   THR  53           HA       THR  53   1.332  -4.342  -0.855
  397    HB   THR  53           HB       THR  53   0.392  -5.969  -3.246
  398    HG1  THR  53           HG1      THR  53  -0.603  -6.900  -1.627
  399   1HG2  THR  53          HG22      THR  53   2.959  -5.903  -1.713
  400   2HG2  THR  53          HG21      THR  53   2.239  -7.492  -1.958
  401   3HG2  THR  53          HG23      THR  53   2.661  -6.492  -3.345
  402    H    VAL  54           HN       VAL  54   3.355  -3.718  -1.491
  403    HA   VAL  54           HA       VAL  54   3.704  -2.670  -4.254
  404    HB   VAL  54           HB       VAL  54   3.007  -0.777  -2.728
  405   1HG1  VAL  54          HG11      VAL  54   4.232  -1.807  -0.752
  406   2HG1  VAL  54          HG13      VAL  54   5.721  -1.199  -1.462
  407   3HG1  VAL  54          HG12      VAL  54   4.458  -0.078  -0.964
  408   1HG2  VAL  54          HG22      VAL  54   5.783  -0.764  -3.943
  409   2HG2  VAL  54          HG21      VAL  54   4.295  -0.181  -4.669
  410   3HG2  VAL  54          HG23      VAL  54   5.010   0.682  -3.317
  411    H    THR  55           HN       THR  55   5.895  -2.628  -4.913
  412    HA   THR  55           HA       THR  55   7.888  -3.777  -3.018
  413    HB   THR  55           HB       THR  55   7.328  -4.935  -5.784
  414    HG1  THR  55           HG1      THR  55   6.053  -6.174  -4.639
  415   1HG2  THR  55          HG21      THR  55   9.527  -5.230  -3.804
  416   2HG2  THR  55          HG23      THR  55   8.807  -6.744  -4.344
  417   3HG2  THR  55          HG22      THR  55   9.513  -5.637  -5.514
  418    H    GLU  56           HN       GLU  56   9.639  -2.505  -3.083
  419    HA   GLU  56           HA       GLU  56  10.048  -0.442  -5.000
  420   1HB   GLU  56           HB2      GLU  56  11.228  -1.184  -2.609
  421   2HB   GLU  56           HB1      GLU  56  12.515  -1.459  -3.771
  422   1HG   GLU  56           HG2      GLU  56  10.924   1.128  -3.550
  423   2HG   GLU  56           HG1      GLU  56  12.520   0.873  -2.855
   
  Start of MODEL          37
 Raw file had 423 H/Q atoms
  Entry Start of MODEL   37
    1   1H    MET   1           HT1      MET   1 -13.844   0.203   5.755
    2   2H    MET   1           HT3      MET   1 -14.232   1.709   5.071
    3   3H    MET   1           HT2      MET   1 -15.198   0.353   4.739
    4    HA   MET   1           HA       MET   1 -13.522  -0.667   3.456
    5   1HB   MET   1           HB2      MET   1 -14.025   2.236   2.905
    6   2HB   MET   1           HB1      MET   1 -12.890   1.356   1.889
    7   1HG   MET   1           HG2      MET   1 -15.173   1.288   0.970
    8   2HG   MET   1           HG1      MET   1 -14.568  -0.302   1.354
    9   1HE   MET   1           HE2      MET   1 -16.812  -1.309   0.966
   10   2HE   MET   1           HE1      MET   1 -15.909  -2.024   2.301
   11   3HE   MET   1           HE3      MET   1 -17.646  -1.762   2.453
   12    H    THR   2           HN       THR   2 -11.701  -1.347   4.533
   13    HA   THR   2           HA       THR   2  -9.401   0.554   4.470
   14    HB   THR   2           HB       THR   2  -9.894  -1.350   6.792
   15    HG1  THR   2           HG1      THR   2 -11.487   0.267   6.671
   16   1HG2  THR   2          HG21      THR   2  -7.578  -0.060   6.051
   17   2HG2  THR   2          HG23      THR   2  -8.352   1.169   7.046
   18   3HG2  THR   2          HG22      THR   2  -8.001  -0.418   7.722
   19    OH   TYR   3           OH       TYR   3 -11.547   0.260  -1.051
   20    H    TYR   3           HN       TYR   3  -7.842  -0.304   3.248
   21    HA   TYR   3           HA       TYR   3  -7.799  -3.264   2.881
   22   1HB   TYR   3           HB2      TYR   3  -6.117  -1.308   1.334
   23   2HB   TYR   3           HB1      TYR   3  -6.654  -2.907   0.855
   24    HD1  TYR   3           HD1      TYR   3  -7.877   0.536   1.585
   25    HD2  TYR   3           HD2      TYR   3  -8.736  -3.196  -0.259
   26    HE1  TYR   3           HE1      TYR   3  -9.868   1.510   0.535
   27    HE2  TYR   3           HE2      TYR   3 -10.723  -2.221  -1.311
   28    HH   TYR   3           HH       TYR   3 -11.586  -0.054  -1.957
   29    H    LYS   4           HN       LYS   4  -5.672  -4.328   2.826
   30    HA   LYS   4           HA       LYS   4  -3.912  -3.211   4.969
   31   1HB   LYS   4           HB2      LYS   4  -5.119  -5.604   4.945
   32   2HB   LYS   4           HB1      LYS   4  -3.681  -6.037   4.034
   33   1HG   LYS   4           HG2      LYS   4  -2.454  -4.713   5.996
   34   2HG   LYS   4           HG1      LYS   4  -3.914  -5.141   6.881
   35   1HD   LYS   4           HD2      LYS   4  -3.452  -7.536   5.819
   36   2HD   LYS   4           HD1      LYS   4  -1.801  -6.931   5.736
   37   1HE   LYS   4           HE2      LYS   4  -3.509  -7.451   8.149
   38   2HE   LYS   4           HE1      LYS   4  -1.821  -7.862   7.875
   39   1HZ   LYS   4           HZ3      LYS   4  -1.825  -5.161   7.756
   40   2HZ   LYS   4           HZ2      LYS   4  -2.970  -5.476   8.971
   41   3HZ   LYS   4           HZ1      LYS   4  -1.391  -6.087   9.113
   42    H    LEU   5           HN       LEU   5  -1.977  -2.456   4.357
   43    HA   LEU   5           HA       LEU   5  -1.021  -3.063   1.630
   44   1HB   LEU   5           HB2      LEU   5  -0.916  -0.739   2.219
   45   2HB   LEU   5           HB1      LEU   5  -0.169  -1.087   3.768
   46    HG   LEU   5           HG       LEU   5   1.889  -1.919   2.483
   47   1HD1  LEU   5          HD12      LEU   5   0.418  -0.631   0.163
   48   2HD1  LEU   5          HD11      LEU   5   2.070  -1.227   0.122
   49   3HD1  LEU   5          HD13      LEU   5   0.739  -2.354   0.319
   50   1HD2  LEU   5          HD21      LEU   5   1.529   0.453   3.419
   51   2HD2  LEU   5          HD23      LEU   5   2.771   0.253   2.190
   52   3HD2  LEU   5          HD22      LEU   5   1.205   0.919   1.755
   53    H    ILE   6           HN       ILE   6   1.073  -3.876   1.222
   54    HA   ILE   6           HA       ILE   6   2.518  -5.089   3.486
   55    HB   ILE   6           HB       ILE   6   1.984  -6.531   0.880
   56   1HG1  ILE   6          HG12      ILE   6   0.640  -6.699   3.591
   57   2HG1  ILE   6          HG11      ILE   6  -0.123  -6.402   2.033
   58   1HG2  ILE   6          HG23      ILE   6   4.088  -7.030   2.303
   59   2HG2  ILE   6          HG22      ILE   6   2.972  -7.670   3.503
   60   3HG2  ILE   6          HG21      ILE   6   3.057  -8.397   1.902
   61   1HD1  ILE   6           HD2      ILE   6   0.802  -8.720   1.345
   62   2HD1  ILE   6           HD1      ILE   6   1.080  -8.981   3.064
   63   3HD1  ILE   6           HD3      ILE   6  -0.550  -8.701   2.471
   64    H    LEU   7           HN       LEU   7   4.326  -3.864   3.424
   65    HA   LEU   7           HA       LEU   7   5.439  -2.925   0.901
   66   1HB   LEU   7           HB2      LEU   7   6.480  -2.761   3.728
   67   2HB   LEU   7           HB1      LEU   7   7.235  -1.977   2.348
   68    HG   LEU   7           HG       LEU   7   4.351  -1.454   2.519
   69   1HD1  LEU   7          HD11      LEU   7   6.204  -0.683   4.791
   70   2HD1  LEU   7          HD13      LEU   7   4.718   0.197   4.443
   71   3HD1  LEU   7          HD12      LEU   7   4.648  -1.501   4.901
   72   1HD2  LEU   7          HD21      LEU   7   6.062  -0.287   1.068
   73   2HD2  LEU   7          HD23      LEU   7   5.100   0.809   2.056
   74   3HD2  LEU   7          HD22      LEU   7   6.747   0.411   2.534
   75    H    ASN   8           HN       ASN   8   6.721  -4.040  -0.380
   76    HA   ASN   8           HA       ASN   8   8.257  -6.319   0.783
   77   1HB   ASN   8           HB2      ASN   8   6.713  -5.937  -1.637
   78   2HB   ASN   8           HB1      ASN   8   8.344  -6.435  -2.032
   79   1HD2  ASN   8          HD22      ASN   8   5.843  -9.213  -0.926
   80   2HD2  ASN   8          HD21      ASN   8   5.458  -7.749  -1.680
   81    H    GLY   9           HN       GLY   9   9.143  -3.646   1.093
   82   1HA   GLY   9           HA2      GLY   9  10.961  -2.703  -0.832
   83   2HA   GLY   9           HA1      GLY   9  11.161  -2.450   0.893
   84    H    LYS  10           HN       LYS  10  13.013  -3.191  -1.399
   85    HA   LYS  10           HA       LYS  10  13.961  -5.865  -0.923
   86   1HB   LYS  10           HB2      LYS  10  14.495  -4.585  -2.977
   87   2HB   LYS  10           HB1      LYS  10  15.461  -3.469  -2.018
   88   1HG   LYS  10           HG2      LYS  10  17.090  -5.106  -1.529
   89   2HG   LYS  10           HG1      LYS  10  16.004  -6.436  -1.917
   90   1HD   LYS  10           HD2      LYS  10  17.683  -6.090  -3.712
   91   2HD   LYS  10           HD1      LYS  10  16.049  -5.795  -4.298
   92   1HE   LYS  10           HE2      LYS  10  17.810  -4.038  -4.931
   93   2HE   LYS  10           HE1      LYS  10  16.332  -3.426  -4.201
   94   1HZ   LYS  10           HZ2      LYS  10  18.824  -3.992  -2.699
   95   2HZ   LYS  10           HZ1      LYS  10  18.372  -2.456  -3.265
   96   3HZ   LYS  10           HZ3      LYS  10  17.420  -3.246  -2.102
   97    H    THR  11           HN       THR  11  14.311  -2.892   0.728
   98    HA   THR  11           HA       THR  11  16.303  -4.142   2.565
   99    HB   THR  11           HB       THR  11  16.886  -1.539   2.896
  100    HG1  THR  11           HG1      THR  11  15.535  -0.638   1.476
  101   1HG2  THR  11          HG23      THR  11  17.757  -3.090   0.429
  102   2HG2  THR  11          HG22      THR  11  18.623  -1.742   1.158
  103   3HG2  THR  11          HG21      THR  11  18.495  -3.274   2.017
  104    H    LEU  12           HN       LEU  12  13.195  -3.091   2.236
  105    HA   LEU  12           HA       LEU  12  12.911  -2.859   5.172
  106   1HB   LEU  12           HB2      LEU  12  13.375  -0.532   4.211
  107   2HB   LEU  12           HB1      LEU  12  11.792  -0.650   3.450
  108    HG   LEU  12           HG       LEU  12  11.112  -1.403   5.949
  109   1HD1  LEU  12          HD13      LEU  12  13.638  -0.972   6.518
  110   2HD1  LEU  12          HD12      LEU  12  13.173   0.725   6.497
  111   3HD1  LEU  12          HD11      LEU  12  12.406  -0.383   7.629
  112   1HD2  LEU  12          HD23      LEU  12  11.434   1.383   4.805
  113   2HD2  LEU  12          HD22      LEU  12   9.979   0.391   4.836
  114   3HD2  LEU  12          HD21      LEU  12  10.604   1.084   6.329
  115    H    LYS  13           HN       LYS  13  11.448  -4.449   5.429
  116    HA   LYS  13           HA       LYS  13   9.058  -4.483   3.635
  117   1HB   LYS  13           HB2      LYS  13  10.221  -6.641   5.409
  118   2HB   LYS  13           HB1      LYS  13   8.745  -6.812   4.467
  119   1HG   LYS  13           HG2      LYS  13   9.935  -7.267   2.602
  120   2HG   LYS  13           HG1      LYS  13  10.860  -5.780   2.787
  121   1HD   LYS  13           HD2      LYS  13  12.335  -6.926   4.434
  122   2HD   LYS  13           HD1      LYS  13  11.431  -8.416   4.184
  123   1HE   LYS  13           HE2      LYS  13  12.038  -7.648   1.598
  124   2HE   LYS  13           HE1      LYS  13  13.478  -7.162   2.483
  125   1HZ   LYS  13           HZ1      LYS  13  12.251  -9.854   2.666
  126   2HZ   LYS  13           HZ3      LYS  13  13.543  -9.463   1.635
  127   3HZ   LYS  13           HZ2      LYS  13  13.738  -9.359   3.319
  128    H    GLY  14           HN       GLY  14   7.017  -4.323   4.489
  129   1HA   GLY  14           HA2      GLY  14   6.533  -4.498   7.360
  130   2HA   GLY  14           HA1      GLY  14   6.486  -2.842   6.762
  131    H    GLU  15           HN       GLU  15   4.215  -3.010   7.534
  132    HA   GLU  15           HA       GLU  15   2.404  -3.382   5.342
  133   1HB   GLU  15           HB2      GLU  15   1.106  -5.290   6.218
  134   2HB   GLU  15           HB1      GLU  15   2.756  -5.775   5.856
  135   1HG   GLU  15           HG2      GLU  15   3.017  -4.939   8.453
  136   2HG   GLU  15           HG1      GLU  15   1.380  -5.588   8.469
  137    H    THR  16           HN       THR  16   0.657  -2.126   5.719
  138    HA   THR  16           HA       THR  16  -0.299  -1.725   8.486
  139    HB   THR  16           HB       THR  16   1.331   0.077   8.381
  140    HG1  THR  16           HG1      THR  16  -1.321   0.368   8.410
  141   1HG2  THR  16          HG23      THR  16   0.300   0.296   5.591
  142   2HG2  THR  16          HG22      THR  16   0.606   1.818   6.417
  143   3HG2  THR  16          HG21      THR  16   1.909   0.652   6.207
  144    H    THR  17           HN       THR  17  -2.402  -0.751   8.583
  145    HA   THR  17           HA       THR  17  -3.908  -1.051   6.014
  146    HB   THR  17           HB       THR  17  -5.789  -1.754   7.299
  147    HG1  THR  17           HG1      THR  17  -6.133  -0.535   8.993
  148   1HG2  THR  17          HG22      THR  17  -3.406  -3.065   7.805
  149   2HG2  THR  17          HG21      THR  17  -3.909  -2.599   9.425
  150   3HG2  THR  17          HG23      THR  17  -4.967  -3.590   8.426
  151    H    THR  18           HN       THR  18  -5.223   0.571   5.279
  152    HA   THR  18           HA       THR  18  -5.449   3.042   6.937
  153    HB   THR  18           HB       THR  18  -3.554   3.111   5.106
  154    HG1  THR  18           HG1      THR  18  -4.442   5.308   4.660
  155   1HG2  THR  18          HG21      THR  18  -5.440   2.311   3.364
  156   2HG2  THR  18          HG23      THR  18  -5.833   4.025   3.377
  157   3HG2  THR  18          HG22      THR  18  -4.225   3.494   2.894
  158    H    GLU  19           HN       GLU  19  -7.288   4.293   6.535
  159    HA   GLU  19           HA       GLU  19  -9.521   2.810   5.324
  160   1HB   GLU  19           HB2      GLU  19  -9.253   5.314   6.959
  161   2HB   GLU  19           HB1      GLU  19 -10.746   5.006   6.080
  162   1HG   GLU  19           HG2      GLU  19 -11.052   2.883   7.222
  163   2HG   GLU  19           HG1      GLU  19  -9.466   3.011   7.978
  164    H    ALA  20           HN       ALA  20 -10.264   3.123   3.318
  165    HA   ALA  20           HA       ALA  20  -9.737   5.725   1.967
  166   1HB   ALA  20           HB3      ALA  20  -8.474   3.202   1.340
  167   2HB   ALA  20           HB2      ALA  20  -9.448   3.750  -0.023
  168   3HB   ALA  20           HB1      ALA  20  -8.184   4.787   0.632
  169    H    VAL  21           HN       VAL  21 -11.445   6.434   0.804
  170    HA   VAL  21           HA       VAL  21 -13.932   4.932   0.927
  171    HB   VAL  21           HB       VAL  21 -14.062   7.329   1.101
  172   1HG1  VAL  21          HG12      VAL  21 -12.601   7.302  -1.559
  173   2HG1  VAL  21          HG11      VAL  21 -13.348   8.741  -0.875
  174   3HG1  VAL  21          HG13      VAL  21 -12.014   7.958  -0.035
  175   1HG2  VAL  21          HG23      VAL  21 -15.723   5.936  -0.419
  176   2HG2  VAL  21          HG22      VAL  21 -15.820   7.694  -0.393
  177   3HG2  VAL  21          HG21      VAL  21 -14.999   6.877  -1.719
  178    H    ASP  22           HN       ASP  22 -11.344   5.117  -1.299
  179    HA   ASP  22           HA       ASP  22 -12.788   3.299  -3.114
  180   1HB   ASP  22           HB2      ASP  22 -12.814   4.642  -5.003
  181   2HB   ASP  22           HB1      ASP  22 -13.081   5.858  -3.758
  182    H    ALA  23           HN       ALA  23 -11.196   2.837  -5.079
  183    HA   ALA  23           HA       ALA  23  -8.761   1.816  -3.836
  184   1HB   ALA  23           HB3      ALA  23 -10.174   1.491  -6.412
  185   2HB   ALA  23           HB2      ALA  23  -8.423   1.319  -6.490
  186   3HB   ALA  23           HB1      ALA  23  -9.361   0.287  -5.415
  187    H    ALA  24           HN       ALA  24  -9.553   4.321  -6.194
  188    HA   ALA  24           HA       ALA  24  -6.906   4.984  -6.974
  189   1HB   ALA  24           HB3      ALA  24  -9.154   5.846  -7.914
  190   2HB   ALA  24           HB2      ALA  24  -9.073   7.050  -6.631
  191   3HB   ALA  24           HB1      ALA  24  -7.810   6.982  -7.857
  192    H    THR  25           HN       THR  25  -8.909   6.513  -4.455
  193    HA   THR  25           HA       THR  25  -6.837   8.214  -3.481
  194    HB   THR  25           HB       THR  25  -9.340   8.401  -2.929
  195    HG1  THR  25           HG1      THR  25  -7.819   9.621  -1.842
  196   1HG2  THR  25          HG22      THR  25  -9.154   5.857  -1.981
  197   2HG2  THR  25          HG21      THR  25  -8.743   6.745  -0.519
  198   3HG2  THR  25          HG23      THR  25 -10.287   7.024  -1.316
  199    H    ALA  26           HN       ALA  26  -7.630   4.865  -2.825
  200    HA   ALA  26           HA       ALA  26  -6.067   4.544  -0.453
  201   1HB   ALA  26           HB1      ALA  26  -7.676   2.839  -1.255
  202   2HB   ALA  26           HB3      ALA  26  -6.623   2.503  -2.624
  203   3HB   ALA  26           HB2      ALA  26  -6.082   2.144  -0.988
  204    H    GLU  27           HN       GLU  27  -5.252   4.320  -3.884
  205    HA   GLU  27           HA       GLU  27  -2.592   3.379  -3.604
  206   1HB   GLU  27           HB2      GLU  27  -3.881   5.181  -5.661
  207   2HB   GLU  27           HB1      GLU  27  -2.238   4.580  -5.812
  208   1HG   GLU  27           HG2      GLU  27  -3.127   2.242  -5.588
  209   2HG   GLU  27           HG1      GLU  27  -4.758   2.906  -5.606
  210    H    LYS  28           HN       LYS  28  -3.760   6.725  -3.926
  211    HA   LYS  28           HA       LYS  28  -1.220   7.954  -3.489
  212   1HB   LYS  28           HB2      LYS  28  -3.678   9.357  -2.560
  213   2HB   LYS  28           HB1      LYS  28  -2.358   9.954  -3.558
  214   1HG   LYS  28           HG2      LYS  28  -3.215   8.312  -5.360
  215   2HG   LYS  28           HG1      LYS  28  -4.675   8.196  -4.383
  216   1HD   LYS  28           HD2      LYS  28  -4.882  10.690  -4.471
  217   2HD   LYS  28           HD1      LYS  28  -3.495  10.735  -5.552
  218   1HE   LYS  28           HE2      LYS  28  -4.866  10.332  -7.296
  219   2HE   LYS  28           HE1      LYS  28  -5.286   8.779  -6.584
  220   1HZ   LYS  28           HZ1      LYS  28  -6.579  11.241  -5.626
  221   2HZ   LYS  28           HZ3      LYS  28  -7.128  10.485  -7.044
  222   3HZ   LYS  28           HZ2      LYS  28  -7.144   9.641  -5.571
  223    H    VAL  29           HN       VAL  29  -3.802   7.030  -1.263
  224    HA   VAL  29           HA       VAL  29  -2.743   8.246   1.081
  225    HB   VAL  29           HB       VAL  29  -4.352   5.694   0.785
  226   1HG1  VAL  29          HG11      VAL  29  -3.626   7.390   3.191
  227   2HG1  VAL  29          HG13      VAL  29  -4.978   6.262   3.196
  228   3HG1  VAL  29          HG12      VAL  29  -3.336   5.668   2.966
  229   1HG2  VAL  29          HG22      VAL  29  -5.063   8.292   0.178
  230   2HG2  VAL  29          HG21      VAL  29  -6.197   7.027   0.643
  231   3HG2  VAL  29          HG23      VAL  29  -5.584   8.150   1.853
  232    H    PHE  30           HN       PHE  30  -2.471   4.828   0.098
  233    HA   PHE  30           HA       PHE  30  -0.480   4.192   2.047
  234   1HB   PHE  30           HB2      PHE  30  -1.417   2.905  -0.498
  235   2HB   PHE  30           HB1      PHE  30   0.029   2.293   0.289
  236    HD1  PHE  30           HD1      PHE  30  -0.334   2.126   3.035
  237    HD2  PHE  30           HD2      PHE  30  -3.379   1.773   0.071
  238    HE1  PHE  30           HE1      PHE  30  -1.750   0.899   4.623
  239    HE2  PHE  30           HE2      PHE  30  -4.763   0.527   1.662
  240    HZ   PHE  30           HZ       PHE  30  -3.946   0.051   3.923
  241    H    LYS  31           HN       LYS  31  -0.249   5.362  -1.277
  242    HA   LYS  31           HA       LYS  31   2.586   5.013  -1.544
  243   1HB   LYS  31           HB2      LYS  31   1.021   5.492  -3.439
  244   2HB   LYS  31           HB1      LYS  31   0.870   7.140  -2.843
  245   1HG   LYS  31           HG2      LYS  31   3.657   6.555  -2.948
  246   2HG   LYS  31           HG1      LYS  31   2.969   5.995  -4.466
  247   1HD   LYS  31           HD2      LYS  31   2.450   8.760  -3.316
  248   2HD   LYS  31           HD1      LYS  31   3.712   8.416  -4.489
  249   1HE   LYS  31           HE2      LYS  31   2.229   8.136  -6.213
  250   2HE   LYS  31           HE1      LYS  31   1.013   7.391  -5.186
  251   1HZ   LYS  31           HZ3      LYS  31   1.424  10.107  -4.477
  252   2HZ   LYS  31           HZ2      LYS  31   1.027   9.967  -6.122
  253   3HZ   LYS  31           HZ1      LYS  31  -0.007   9.319  -4.941
  254    H    GLN  32           HN       GLN  32   0.609   7.651  -0.298
  255    HA   GLN  32           HA       GLN  32   2.665   9.569   0.070
  256   1HB   GLN  32           HB2      GLN  32   0.179   9.929   0.403
  257   2HB   GLN  32           HB1      GLN  32   0.336   9.104   1.950
  258   1HG   GLN  32           HG2      GLN  32   0.538  11.467   2.400
  259   2HG   GLN  32           HG1      GLN  32   2.157  10.787   2.539
  260   1HE2  GLN  32          HE22      GLN  32   1.435  12.691  -1.033
  261   2HE2  GLN  32          HE21      GLN  32   0.299  11.580  -0.433
  262    OH   TYR  33           OH       TYR  33   5.178   3.225   8.467
  263    H    TYR  33           HN       TYR  33   1.747   6.748   1.905
  264    HA   TYR  33           HA       TYR  33   3.417   7.319   4.202
  265   1HB   TYR  33           HB2      TYR  33   1.481   5.750   4.273
  266   2HB   TYR  33           HB1      TYR  33   2.366   4.655   3.217
  267    HD1  TYR  33           HD1      TYR  33   4.450   3.567   4.014
  268    HD2  TYR  33           HD2      TYR  33   2.087   5.965   6.611
  269    HE1  TYR  33           HE1      TYR  33   5.620   2.624   5.945
  270    HE2  TYR  33           HE2      TYR  33   3.258   5.020   8.549
  271    HH   TYR  33           HH       TYR  33   5.662   2.451   8.171
  272    H    ALA  34           HN       ALA  34   3.731   4.740   1.782
  273    HA   ALA  34           HA       ALA  34   6.347   3.957   2.273
  274   1HB   ALA  34           HB3      ALA  34   4.524   3.840   0.009
  275   2HB   ALA  34           HB2      ALA  34   6.199   3.967  -0.515
  276   3HB   ALA  34           HB1      ALA  34   5.706   2.652   0.548
  277    H    ASN  35           HN       ASN  35   5.249   6.829   0.595
  278    HA   ASN  35           HA       ASN  35   7.693   7.639  -0.594
  279   1HB   ASN  35           HB2      ASN  35   5.543   8.753  -1.050
  280   2HB   ASN  35           HB1      ASN  35   5.513   9.377   0.597
  281   1HD2  ASN  35          HD22      ASN  35   8.839  10.838  -1.168
  282   2HD2  ASN  35          HD21      ASN  35   8.672   9.193  -0.784
  283    H    ASP  36           HN       ASP  36   6.425   8.215   2.661
  284    HA   ASP  36           HA       ASP  36   8.742   9.783   3.472
  285   1HB   ASP  36           HB2      ASP  36   6.258   8.775   4.750
  286   2HB   ASP  36           HB1      ASP  36   7.624   9.068   5.823
  287    H    ASN  37           HN       ASN  37   8.691   6.737   2.597
  288    HA   ASN  37           HA       ASN  37  10.632   5.878   4.712
  289   1HB   ASN  37           HB2      ASN  37   8.343   4.395   3.472
  290   2HB   ASN  37           HB1      ASN  37   9.773   3.497   3.976
  291   1HD2  ASN  37          HD22      ASN  37   7.167   4.823   6.756
  292   2HD2  ASN  37          HD21      ASN  37   6.873   4.979   5.093
  293    H    GLY  38           HN       GLY  38   9.972   6.370   1.416
  294   1HA   GLY  38           HA2      GLY  38  11.540   6.308  -0.367
  295   2HA   GLY  38           HA1      GLY  38  12.686   5.517   0.712
  296    H    VAL  39           HN       VAL  39   9.471   4.795  -0.654
  297    HA   VAL  39           HA       VAL  39  10.561   2.208  -1.648
  298    HB   VAL  39           HB       VAL  39   7.909   2.393  -0.208
  299   1HG1  VAL  39          HG13      VAL  39   9.690   0.098  -1.100
  300   2HG1  VAL  39          HG12      VAL  39   8.242  -0.097  -0.116
  301   3HG1  VAL  39          HG11      VAL  39   8.112   0.516  -1.762
  302   1HG2  VAL  39          HG23      VAL  39  10.667   1.667   0.816
  303   2HG2  VAL  39          HG22      VAL  39   9.566   2.879   1.463
  304   3HG2  VAL  39          HG21      VAL  39   9.190   1.167   1.633
  305    H    ASP  40           HN       ASP  40  10.330   4.028  -3.451
  306    HA   ASP  40           HA       ASP  40   7.586   3.922  -4.616
  307   1HB   ASP  40           HB2      ASP  40   9.975   5.631  -5.365
  308   2HB   ASP  40           HB1      ASP  40   8.375   5.737  -6.097
  309    H    GLY  41           HN       GLY  41   7.253   2.314  -6.012
  310   1HA   GLY  41           HA2      GLY  41   9.073   1.888  -8.249
  311   2HA   GLY  41           HA1      GLY  41   9.074   0.544  -7.111
  312    H    GLU  42           HN       GLU  42   7.614  -1.005  -7.457
  313    HA   GLU  42           HA       GLU  42   5.395  -0.450  -9.366
  314   1HB   GLU  42           HB2      GLU  42   6.131  -3.152  -8.292
  315   2HB   GLU  42           HB1      GLU  42   5.350  -2.758  -9.816
  316   1HG   GLU  42           HG2      GLU  42   7.593  -1.445 -10.290
  317   2HG   GLU  42           HG1      GLU  42   8.253  -2.522  -9.061
  318    CH2  TRP  43           CH2      TRP  43   2.132   2.432  -2.055
  319    H    TRP  43           HN       TRP  43   3.260  -0.830  -8.829
  320    HA   TRP  43           HA       TRP  43   2.719  -1.406  -5.938
  321   1HB   TRP  43           HB2      TRP  43   1.575   0.671  -7.780
  322   2HB   TRP  43           HB1      TRP  43   0.671   0.123  -6.380
  323    HD1  TRP  43           HD1      TRP  43   4.175   1.496  -7.256
  324    HE1  TRP  43           HE1      TRP  43   4.937   2.847  -5.242
  325    HE3  TRP  43           HE3      TRP  43   0.372   0.543  -4.198
  326    HZ2  TRP  43           HZ2      TRP  43   3.993   3.383  -2.478
  327    HZ3  TRP  43           HZ3      TRP  43   0.283   1.383  -1.906
  328    HH2  TRP  43           HH2      TRP  43   2.091   2.793  -1.039
  329    H    THR  44           HN       THR  44   1.298  -2.969  -5.528
  330    HA   THR  44           HA       THR  44  -0.375  -3.996  -7.792
  331    HB   THR  44           HB       THR  44  -0.107  -6.279  -6.655
  332    HG1  THR  44           HG1      THR  44   2.091  -5.806  -5.380
  333   1HG2  THR  44          HG21      THR  44   1.547  -5.140  -8.494
  334   2HG2  THR  44          HG23      THR  44   2.671  -5.299  -7.147
  335   3HG2  THR  44          HG22      THR  44   1.869  -6.724  -7.797
  336    OH   TYR  45           OH       TYR  45  -8.851  -1.362  -2.964
  337    H    TYR  45           HN       TYR  45  -2.458  -4.502  -7.378
  338    HA   TYR  45           HA       TYR  45  -3.514  -3.854  -4.645
  339   1HB   TYR  45           HB2      TYR  45  -4.123  -2.417  -6.729
  340   2HB   TYR  45           HB1      TYR  45  -5.113  -3.793  -7.215
  341    HD1  TYR  45           HD1      TYR  45  -6.511  -4.722  -4.854
  342    HD2  TYR  45           HD2      TYR  45  -5.418  -0.733  -5.825
  343    HE1  TYR  45           HE1      TYR  45  -8.262  -3.884  -3.382
  344    HE2  TYR  45           HE2      TYR  45  -7.205   0.105  -4.387
  345    HH   TYR  45           HH       TYR  45  -9.343  -2.117  -2.633
  346    H    ASP  46           HN       ASP  46  -4.408  -5.528  -3.582
  347    HA   ASP  46           HA       ASP  46  -5.015  -8.018  -5.111
  348   1HB   ASP  46           HB2      ASP  46  -3.439  -7.918  -3.031
  349   2HB   ASP  46           HB1      ASP  46  -4.937  -7.850  -2.111
  350    H    ASP  47           HN       ASP  47  -7.005  -6.753  -5.810
  351    HA   ASP  47           HA       ASP  47  -9.093  -6.143  -3.950
  352   1HB   ASP  47           HB2      ASP  47  -9.067  -5.303  -6.273
  353   2HB   ASP  47           HB1      ASP  47  -9.318  -6.943  -6.865
  354    H    ALA  48           HN       ALA  48  -7.722  -9.045  -4.522
  355    HA   ALA  48           HA       ALA  48 -10.148 -10.689  -4.575
  356   1HB   ALA  48           HB1      ALA  48  -7.411 -11.096  -5.131
  357   2HB   ALA  48           HB3      ALA  48  -7.791 -12.140  -3.766
  358   3HB   ALA  48           HB2      ALA  48  -8.710 -12.277  -5.262
  359    H    THR  49           HN       THR  49  -8.172  -9.198  -2.199
  360    HA   THR  49           HA       THR  49  -9.838 -10.409  -0.077
  361    HB   THR  49           HB       THR  49  -7.742 -10.958   1.282
  362    HG1  THR  49           HG1      THR  49  -6.775 -10.103  -1.222
  363   1HG2  THR  49          HG23      THR  49  -9.002 -12.641  -0.325
  364   2HG2  THR  49          HG22      THR  49  -7.598 -12.405  -1.362
  365   3HG2  THR  49          HG21      THR  49  -7.395 -13.065   0.258
  366    H    LYS  50           HN       LYS  50  -9.071  -7.713  -1.382
  367    HA   LYS  50           HA       LYS  50  -8.811  -5.498  -0.651
  368   1HB   LYS  50           HB2      LYS  50  -9.744  -6.648   1.992
  369   2HB   LYS  50           HB1      LYS  50  -9.815  -4.959   1.506
  370   1HG   LYS  50           HG2      LYS  50 -11.389  -5.470  -0.269
  371   2HG   LYS  50           HG1      LYS  50 -11.208  -7.199   0.003
  372   1HD   LYS  50           HD2      LYS  50 -12.057  -6.825   2.362
  373   2HD   LYS  50           HD1      LYS  50 -12.429  -5.169   1.896
  374   1HE   LYS  50           HE2      LYS  50 -13.581  -7.712   0.718
  375   2HE   LYS  50           HE1      LYS  50 -14.447  -6.453   1.589
  376   1HZ   LYS  50           HZ1      LYS  50 -13.664  -4.926  -0.257
  377   2HZ   LYS  50           HZ3      LYS  50 -13.278  -6.337  -1.119
  378   3HZ   LYS  50           HZ2      LYS  50 -14.882  -6.046  -0.641
  379    H    THR  51           HN       THR  51  -6.459  -6.333  -0.906
  380    HA   THR  51           HA       THR  51  -5.001  -5.478   1.543
  381    HB   THR  51           HB       THR  51  -4.739  -8.191   0.199
  382    HG1  THR  51           HG1      THR  51  -4.456  -7.693   2.901
  383   1HG2  THR  51          HG22      THR  51  -2.731  -6.838   2.046
  384   2HG2  THR  51          HG21      THR  51  -2.698  -8.528   1.571
  385   3HG2  THR  51          HG23      THR  51  -2.412  -7.274   0.373
  386    H    PHE  52           HN       PHE  52  -3.710  -3.838   0.829
  387    HA   PHE  52           HA       PHE  52  -2.961  -3.655  -1.987
  388   1HB   PHE  52           HB2      PHE  52  -2.977  -1.909   0.319
  389   2HB   PHE  52           HB1      PHE  52  -1.455  -1.798  -0.553
  390    HD1  PHE  52           HD1      PHE  52  -1.467  -1.196  -3.007
  391    HD2  PHE  52           HD2      PHE  52  -5.012  -1.168  -0.689
  392    HE1  PHE  52           HE1      PHE  52  -2.613   0.115  -4.751
  393    HE2  PHE  52           HE2      PHE  52  -6.112   0.236  -2.347
  394    HZ   PHE  52           HZ       PHE  52  -4.900   0.925  -4.364
  395    H    THR  53           HN       THR  53  -0.654  -3.409  -2.629
  396    HA   THR  53           HA       THR  53   1.386  -4.437  -0.804
  397    HB   THR  53           HB       THR  53   0.480  -6.110  -3.177
  398    HG1  THR  53           HG1      THR  53  -0.658  -6.232  -1.156
  399   1HG2  THR  53          HG23      THR  53   2.902  -6.231  -1.357
  400   2HG2  THR  53          HG22      THR  53   2.244  -7.689  -2.093
  401   3HG2  THR  53          HG21      THR  53   2.863  -6.393  -3.110
  402    H    VAL  54           HN       VAL  54   3.280  -3.504  -1.312
  403    HA   VAL  54           HA       VAL  54   3.695  -2.607  -4.141
  404    HB   VAL  54           HB       VAL  54   3.061  -0.703  -2.606
  405   1HG1  VAL  54          HG13      VAL  54   4.234  -1.715  -0.619
  406   2HG1  VAL  54          HG12      VAL  54   5.762  -1.242  -1.348
  407   3HG1  VAL  54          HG11      VAL  54   4.590  -0.017  -0.882
  408   1HG2  VAL  54          HG21      VAL  54   5.819  -0.767  -3.854
  409   2HG2  VAL  54          HG23      VAL  54   4.338  -0.134  -4.550
  410   3HG2  VAL  54          HG22      VAL  54   5.104   0.700  -3.208
  411    H    THR  55           HN       THR  55   5.856  -2.632  -4.837
  412    HA   THR  55           HA       THR  55   7.849  -3.855  -2.994
  413    HB   THR  55           HB       THR  55   7.198  -4.986  -5.750
  414    HG1  THR  55           HG1      THR  55   6.051  -5.231  -3.411
  415   1HG2  THR  55          HG21      THR  55   9.409  -5.368  -3.807
  416   2HG2  THR  55          HG23      THR  55   8.609  -6.856  -4.306
  417   3HG2  THR  55          HG22      THR  55   9.341  -5.802  -5.510
  418    H    GLU  56           HN       GLU  56   9.611  -2.598  -3.087
  419    HA   GLU  56           HA       GLU  56  10.049  -0.595  -5.073
  420   1HB   GLU  56           HB2      GLU  56  11.190  -1.248  -2.642
  421   2HB   GLU  56           HB1      GLU  56  12.488  -1.584  -3.778
  422   1HG   GLU  56           HG2      GLU  56  10.917   1.014  -3.627
  423   2HG   GLU  56           HG1      GLU  56  12.553   0.778  -3.023
   
  Start of MODEL          38
 Raw file had 423 H/Q atoms
  Entry Start of MODEL   38
    1   1H    MET   1           HT1      MET   1 -13.603   2.280   4.839
    2   2H    MET   1           HT3      MET   1 -14.150   2.409   3.237
    3   3H    MET   1           HT2      MET   1 -15.066   1.551   4.381
    4    HA   MET   1           HA       MET   1 -13.763  -0.278   4.303
    5   1HB   MET   1           HB2      MET   1 -13.459   1.131   1.657
    6   2HB   MET   1           HB1      MET   1 -12.747  -0.457   1.921
    7   1HG   MET   1           HG2      MET   1 -14.888  -1.401   2.478
    8   2HG   MET   1           HG1      MET   1 -15.641   0.171   2.504
    9   1HE   MET   1           HE3      MET   1 -13.654  -2.239   0.600
   10   2HE   MET   1           HE2      MET   1 -15.174  -3.041   0.204
   11   3HE   MET   1           HE1      MET   1 -14.243  -2.241  -1.063
   12    H    THR   2           HN       THR   2 -11.726  -1.221   4.494
   13    HA   THR   2           HA       THR   2  -9.378   0.622   4.385
   14    HB   THR   2           HB       THR   2  -9.805  -1.313   6.686
   15    HG1  THR   2           HG1      THR   2 -11.220   0.779   6.073
   16   1HG2  THR   2          HG23      THR   2  -7.539   0.001   5.964
   17   2HG2  THR   2          HG22      THR   2  -8.344   1.280   6.865
   18   3HG2  THR   2          HG21      THR   2  -7.978  -0.251   7.649
   19    OH   TYR   3           OH       TYR   3 -11.570   0.190  -0.940
   20    H    TYR   3           HN       TYR   3  -7.640  -0.265   3.435
   21    HA   TYR   3           HA       TYR   3  -7.700  -3.222   2.928
   22   1HB   TYR   3           HB2      TYR   3  -6.065  -1.242   1.359
   23   2HB   TYR   3           HB1      TYR   3  -6.572  -2.857   0.888
   24    HD1  TYR   3           HD1      TYR   3  -7.918   0.529   1.715
   25    HD2  TYR   3           HD2      TYR   3  -8.608  -3.165  -0.269
   26    HE1  TYR   3           HE1      TYR   3  -9.950   1.454   0.699
   27    HE2  TYR   3           HE2      TYR   3 -10.635  -2.241  -1.293
   28    HH   TYR   3           HH       TYR   3 -12.317  -0.047  -0.385
   29    H    LYS   4           HN       LYS   4  -5.518  -4.234   2.763
   30    HA   LYS   4           HA       LYS   4  -3.738  -3.113   4.894
   31   1HB   LYS   4           HB2      LYS   4  -4.949  -5.506   4.931
   32   2HB   LYS   4           HB1      LYS   4  -3.531  -5.957   3.997
   33   1HG   LYS   4           HG2      LYS   4  -2.299  -4.565   5.956
   34   2HG   LYS   4           HG1      LYS   4  -3.725  -5.094   6.846
   35   1HD   LYS   4           HD2      LYS   4  -3.261  -7.441   6.107
   36   2HD   LYS   4           HD1      LYS   4  -1.788  -6.877   5.328
   37   1HE   LYS   4           HE2      LYS   4  -2.153  -7.599   8.068
   38   2HE   LYS   4           HE1      LYS   4  -0.687  -7.013   7.293
   39   1HZ   LYS   4           HZ2      LYS   4  -1.455  -4.744   7.670
   40   2HZ   LYS   4           HZ1      LYS   4  -2.835  -5.334   8.461
   41   3HZ   LYS   4           HZ3      LYS   4  -1.295  -5.604   9.126
   42    H    LEU   5           HN       LEU   5  -1.885  -2.278   4.154
   43    HA   LEU   5           HA       LEU   5  -0.940  -2.941   1.454
   44   1HB   LEU   5           HB2      LEU   5  -0.810  -0.617   2.096
   45   2HB   LEU   5           HB1      LEU   5   0.008  -1.006   3.601
   46    HG   LEU   5           HG       LEU   5   1.992  -1.821   2.214
   47   1HD1  LEU   5          HD11      LEU   5   0.378  -0.550  -0.021
   48   2HD1  LEU   5          HD13      LEU   5   2.056  -1.052  -0.153
   49   3HD1  LEU   5          HD12      LEU   5   0.801  -2.255   0.096
   50   1HD2  LEU   5          HD21      LEU   5   1.720   0.522   3.193
   51   2HD2  LEU   5          HD23      LEU   5   2.851   0.367   1.853
   52   3HD2  LEU   5          HD22      LEU   5   1.246   1.028   1.576
   53    H    ILE   6           HN       ILE   6   1.168  -3.757   1.016
   54    HA   ILE   6           HA       ILE   6   2.595  -5.035   3.262
   55    HB   ILE   6           HB       ILE   6   2.130  -6.368   0.586
   56   1HG1  ILE   6          HG12      ILE   6   0.716  -6.647   3.253
   57   2HG1  ILE   6          HG11      ILE   6  -0.005  -6.300   1.686
   58   1HG2  ILE   6          HG23      ILE   6   4.200  -6.918   2.038
   59   2HG2  ILE   6          HG22      ILE   6   3.061  -7.608   3.185
   60   3HG2  ILE   6          HG21      ILE   6   3.186  -8.272   1.560
   61   1HD1  ILE   6           HD3      ILE   6   0.949  -8.584   0.939
   62   2HD1  ILE   6           HD2      ILE   6   1.188  -8.905   2.654
   63   3HD1  ILE   6           HD1      ILE   6  -0.428  -8.613   2.031
   64    H    LEU   7           HN       LEU   7   4.390  -3.792   3.291
   65    HA   LEU   7           HA       LEU   7   5.577  -2.766   0.832
   66   1HB   LEU   7           HB2      LEU   7   6.412  -2.650   3.722
   67   2HB   LEU   7           HB1      LEU   7   7.368  -1.941   2.429
   68    HG   LEU   7           HG       LEU   7   4.480  -1.261   2.388
   69   1HD1  LEU   7          HD13      LEU   7   6.355  -0.321   4.582
   70   2HD1  LEU   7          HD12      LEU   7   4.854   0.499   4.168
   71   3HD1  LEU   7          HD11      LEU   7   4.815  -1.148   4.789
   72   1HD2  LEU   7          HD21      LEU   7   6.158  -0.293   0.833
   73   2HD2  LEU   7          HD23      LEU   7   5.420   0.954   1.832
   74   3HD2  LEU   7          HD22      LEU   7   7.038   0.371   2.206
   75    H    ASN   8           HN       ASN   8   6.824  -3.919  -0.458
   76    HA   ASN   8           HA       ASN   8   8.385  -6.181   0.712
   77   1HB   ASN   8           HB2      ASN   8   6.823  -5.828  -1.693
   78   2HB   ASN   8           HB1      ASN   8   8.462  -6.276  -2.119
   79   1HD2  ASN   8          HD22      ASN   8   6.093  -9.161  -1.076
   80   2HD2  ASN   8          HD21      ASN   8   5.683  -7.721  -1.864
   81    H    GLY   9           HN       GLY   9   9.351  -3.595   1.119
   82   1HA   GLY   9           HA2      GLY   9  11.117  -2.548  -0.794
   83   2HA   GLY   9           HA1      GLY   9  11.394  -2.437   0.935
   84    H    LYS  10           HN       LYS  10  13.174  -2.991  -1.440
   85    HA   LYS  10           HA       LYS  10  14.077  -5.654  -1.501
   86   1HB   LYS  10           HB2      LYS  10  15.176  -3.025  -2.183
   87   2HB   LYS  10           HB1      LYS  10  16.416  -4.164  -1.677
   88   1HG   LYS  10           HG2      LYS  10  16.107  -4.374  -4.085
   89   2HG   LYS  10           HG1      LYS  10  15.486  -5.831  -3.322
   90   1HD   LYS  10           HD2      LYS  10  13.307  -4.051  -3.343
   91   2HD   LYS  10           HD1      LYS  10  14.073  -3.834  -4.911
   92   1HE   LYS  10           HE2      LYS  10  12.483  -5.635  -5.142
   93   2HE   LYS  10           HE1      LYS  10  14.088  -6.356  -5.153
   94   1HZ   LYS  10           HZ3      LYS  10  12.514  -6.099  -2.668
   95   2HZ   LYS  10           HZ2      LYS  10  12.345  -7.436  -3.703
   96   3HZ   LYS  10           HZ1      LYS  10  13.846  -7.107  -2.977
   97    H    THR  11           HN       THR  11  14.792  -3.082   0.783
   98    HA   THR  11           HA       THR  11  15.968  -5.124   2.607
   99    HB   THR  11           HB       THR  11  17.391  -2.968   3.343
  100    HG1  THR  11           HG1      THR  11  16.588  -1.535   1.911
  101   1HG2  THR  11          HG21      THR  11  17.991  -4.526   0.801
  102   2HG2  THR  11          HG23      THR  11  19.171  -3.651   1.772
  103   3HG2  THR  11          HG22      THR  11  18.389  -5.088   2.423
  104    H    LEU  12           HN       LEU  12  13.414  -3.248   2.148
  105    HA   LEU  12           HA       LEU  12  13.089  -2.757   5.076
  106   1HB   LEU  12           HB2      LEU  12  13.764  -0.639   3.828
  107   2HB   LEU  12           HB1      LEU  12  12.215  -0.745   2.999
  108    HG   LEU  12           HG       LEU  12  11.258  -0.983   5.457
  109   1HD1  LEU  12          HD11      LEU  12  13.871  -0.860   6.152
  110   2HD1  LEU  12          HD13      LEU  12  13.498   0.858   6.155
  111   3HD1  LEU  12          HD12      LEU  12  12.591  -0.240   7.189
  112   1HD2  LEU  12          HD22      LEU  12  12.269   1.604   4.229
  113   2HD2  LEU  12          HD21      LEU  12  10.694   0.863   3.967
  114   3HD2  LEU  12          HD23      LEU  12  11.102   1.528   5.545
  115    H    LYS  13           HN       LYS  13  11.672  -4.472   5.255
  116    HA   LYS  13           HA       LYS  13   9.221  -4.404   3.565
  117   1HB   LYS  13           HB2      LYS  13  10.423  -6.524   5.338
  118   2HB   LYS  13           HB1      LYS  13   8.814  -6.673   4.653
  119   1HG   LYS  13           HG2      LYS  13   9.614  -7.114   2.565
  120   2HG   LYS  13           HG1      LYS  13  10.844  -5.864   2.679
  121   1HD   LYS  13           HD2      LYS  13  11.968  -8.010   2.520
  122   2HD   LYS  13           HD1      LYS  13  12.188  -7.413   4.158
  123   1HE   LYS  13           HE2      LYS  13  11.549  -9.749   4.298
  124   2HE   LYS  13           HE1      LYS  13  10.179  -8.792   4.843
  125   1HZ   LYS  13           HZ3      LYS  13   9.778  -8.992   2.173
  126   2HZ   LYS  13           HZ2      LYS  13  10.412 -10.516   2.569
  127   3HZ   LYS  13           HZ1      LYS  13   9.023  -9.943   3.361
  128    H    GLY  14           HN       GLY  14   7.207  -4.108   4.434
  129   1HA   GLY  14           HA2      GLY  14   6.846  -4.019   7.352
  130   2HA   GLY  14           HA1      GLY  14   6.674  -2.469   6.536
  131    H    GLU  15           HN       GLU  15   4.460  -2.675   7.471
  132    HA   GLU  15           HA       GLU  15   2.560  -3.410   5.461
  133   1HB   GLU  15           HB2      GLU  15   1.528  -5.350   6.378
  134   2HB   GLU  15           HB1      GLU  15   3.249  -5.698   6.420
  135   1HG   GLU  15           HG2      GLU  15   1.477  -4.848   8.729
  136   2HG   GLU  15           HG1      GLU  15   2.419  -6.325   8.575
  137    H    THR  16           HN       THR  16   0.482  -2.649   5.974
  138    HA   THR  16           HA       THR  16  -0.324  -1.880   8.629
  139    HB   THR  16           HB       THR  16   1.484  -0.128   8.165
  140    HG1  THR  16           HG1      THR  16  -0.137   1.554   8.693
  141   1HG2  THR  16          HG21      THR  16   0.313   0.060   5.668
  142   2HG2  THR  16          HG23      THR  16  -0.472   1.378   6.532
  143   3HG2  THR  16          HG22      THR  16   1.283   1.335   6.397
  144    H    THR  17           HN       THR  17  -2.318  -0.421   8.522
  145    HA   THR  17           HA       THR  17  -3.800  -0.926   5.959
  146    HB   THR  17           HB       THR  17  -5.720  -1.640   7.172
  147    HG1  THR  17           HG1      THR  17  -4.536  -0.784   9.579
  148   1HG2  THR  17          HG21      THR  17  -3.372  -2.968   7.740
  149   2HG2  THR  17          HG23      THR  17  -3.892  -2.489   9.351
  150   3HG2  THR  17          HG22      THR  17  -4.947  -3.475   8.342
  151    H    THR  18           HN       THR  18  -5.048   0.718   5.183
  152    HA   THR  18           HA       THR  18  -5.217   3.219   6.823
  153    HB   THR  18           HB       THR  18  -3.446   3.202   4.867
  154    HG1  THR  18           HG1      THR  18  -3.841   5.341   4.881
  155   1HG2  THR  18          HG23      THR  18  -5.431   2.367   3.277
  156   2HG2  THR  18          HG22      THR  18  -5.848   4.077   3.283
  157   3HG2  THR  18          HG21      THR  18  -4.272   3.558   2.695
  158    H    GLU  19           HN       GLU  19  -7.059   4.484   6.497
  159    HA   GLU  19           HA       GLU  19  -9.378   2.992   5.478
  160   1HB   GLU  19           HB2      GLU  19  -9.438   5.823   6.508
  161   2HB   GLU  19           HB1      GLU  19 -10.707   4.606   6.575
  162   1HG   GLU  19           HG2      GLU  19  -9.943   4.357   8.732
  163   2HG   GLU  19           HG1      GLU  19  -8.761   3.310   7.951
  164    H    ALA  20           HN       ALA  20 -10.192   3.218   3.496
  165    HA   ALA  20           HA       ALA  20  -9.775   5.779   2.036
  166   1HB   ALA  20           HB2      ALA  20  -8.563   3.206   1.400
  167   2HB   ALA  20           HB1      ALA  20  -9.527   3.827   0.063
  168   3HB   ALA  20           HB3      ALA  20  -8.217   4.797   0.729
  169    H    VAL  21           HN       VAL  21 -11.428   6.305   0.625
  170    HA   VAL  21           HA       VAL  21 -13.924   4.793   1.006
  171    HB   VAL  21           HB       VAL  21 -14.121   7.185   1.110
  172   1HG1  VAL  21          HG11      VAL  21 -12.686   7.117  -1.564
  173   2HG1  VAL  21          HG13      VAL  21 -13.473   8.557  -0.924
  174   3HG1  VAL  21          HG12      VAL  21 -12.110   7.844  -0.066
  175   1HG2  VAL  21          HG21      VAL  21 -15.830   5.784  -0.257
  176   2HG2  VAL  21          HG23      VAL  21 -15.857   7.532  -0.468
  177   3HG2  VAL  21          HG22      VAL  21 -15.081   6.511  -1.675
  178    H    ASP  22           HN       ASP  22 -11.416   5.024  -1.313
  179    HA   ASP  22           HA       ASP  22 -12.850   3.109  -3.044
  180   1HB   ASP  22           HB2      ASP  22 -12.698   4.398  -5.042
  181   2HB   ASP  22           HB1      ASP  22 -13.356   5.496  -3.831
  182    H    ALA  23           HN       ALA  23 -11.307   2.548  -4.975
  183    HA   ALA  23           HA       ALA  23  -8.805   1.670  -3.771
  184   1HB   ALA  23           HB2      ALA  23 -10.248   1.233  -6.325
  185   2HB   ALA  23           HB1      ALA  23  -8.496   1.062  -6.390
  186   3HB   ALA  23           HB3      ALA  23  -9.437   0.071  -5.280
  187    H    ALA  24           HN       ALA  24  -9.777   4.119  -6.098
  188    HA   ALA  24           HA       ALA  24  -7.201   4.843  -7.054
  189   1HB   ALA  24           HB2      ALA  24  -9.748   5.705  -7.539
  190   2HB   ALA  24           HB1      ALA  24  -9.091   7.073  -6.645
  191   3HB   ALA  24           HB3      ALA  24  -8.303   6.526  -8.121
  192    H    THR  25           HN       THR  25  -9.097   6.422  -4.476
  193    HA   THR  25           HA       THR  25  -6.994   8.135  -3.611
  194    HB   THR  25           HB       THR  25  -9.470   8.306  -2.945
  195    HG1  THR  25           HG1      THR  25  -7.250   8.359  -1.185
  196   1HG2  THR  25          HG22      THR  25  -9.193   5.772  -1.974
  197   2HG2  THR  25          HG21      THR  25  -8.759   6.694  -0.540
  198   3HG2  THR  25          HG23      THR  25 -10.334   6.925  -1.293
  199    H    ALA  26           HN       ALA  26  -7.677   4.778  -2.928
  200    HA   ALA  26           HA       ALA  26  -5.995   4.529  -0.609
  201   1HB   ALA  26           HB1      ALA  26  -7.657   2.811  -1.236
  202   2HB   ALA  26           HB3      ALA  26  -6.722   2.437  -2.680
  203   3HB   ALA  26           HB2      ALA  26  -6.050   2.108  -1.086
  204    H    GLU  27           HN       GLU  27  -5.403   4.275  -4.072
  205    HA   GLU  27           HA       GLU  27  -2.738   3.284  -3.948
  206   1HB   GLU  27           HB2      GLU  27  -4.171   5.021  -5.963
  207   2HB   GLU  27           HB1      GLU  27  -2.528   4.451  -6.206
  208   1HG   GLU  27           HG2      GLU  27  -3.356   2.097  -5.870
  209   2HG   GLU  27           HG1      GLU  27  -4.996   2.735  -5.817
  210    H    LYS  28           HN       LYS  28  -4.029   6.571  -3.866
  211    HA   LYS  28           HA       LYS  28  -1.382   7.795  -3.760
  212   1HB   LYS  28           HB2      LYS  28  -3.784   9.287  -2.829
  213   2HB   LYS  28           HB1      LYS  28  -2.487   9.807  -3.898
  214   1HG   LYS  28           HG2      LYS  28  -3.424   8.132  -5.604
  215   2HG   LYS  28           HG1      LYS  28  -4.839   8.021  -4.565
  216   1HD   LYS  28           HD2      LYS  28  -5.044  10.533  -4.699
  217   2HD   LYS  28           HD1      LYS  28  -3.752  10.522  -5.894
  218   1HE   LYS  28           HE2      LYS  28  -5.874  10.511  -7.076
  219   2HE   LYS  28           HE1      LYS  28  -5.130   8.930  -7.274
  220   1HZ   LYS  28           HZ2      LYS  28  -6.967   9.371  -5.031
  221   2HZ   LYS  28           HZ1      LYS  28  -7.606   9.138  -6.587
  222   3HZ   LYS  28           HZ3      LYS  28  -6.627   7.942  -5.884
  223    H    VAL  29           HN       VAL  29  -3.932   7.049  -1.430
  224    HA   VAL  29           HA       VAL  29  -2.829   8.341   0.833
  225    HB   VAL  29           HB       VAL  29  -4.423   5.772   0.657
  226   1HG1  VAL  29          HG13      VAL  29  -3.556   7.487   2.994
  227   2HG1  VAL  29          HG12      VAL  29  -4.988   6.466   3.083
  228   3HG1  VAL  29          HG11      VAL  29  -3.406   5.742   2.811
  229   1HG2  VAL  29          HG22      VAL  29  -5.166   8.334  -0.002
  230   2HG2  VAL  29          HG21      VAL  29  -6.281   7.098   0.574
  231   3HG2  VAL  29          HG23      VAL  29  -5.606   8.271   1.701
  232    H    PHE  30           HN       PHE  30  -2.505   4.905  -0.051
  233    HA   PHE  30           HA       PHE  30  -0.517   4.332   1.913
  234   1HB   PHE  30           HB2      PHE  30  -1.424   3.006  -0.617
  235   2HB   PHE  30           HB1      PHE  30   0.050   2.438   0.154
  236    HD1  PHE  30           HD1      PHE  30  -0.250   2.257   2.889
  237    HD2  PHE  30           HD2      PHE  30  -3.368   1.869   0.007
  238    HE1  PHE  30           HE1      PHE  30  -1.603   1.000   4.512
  239    HE2  PHE  30           HE2      PHE  30  -4.696   0.604   1.631
  240    HZ   PHE  30           HZ       PHE  30  -3.813   0.137   3.870
  241    H    LYS  31           HN       LYS  31  -0.261   5.394  -1.452
  242    HA   LYS  31           HA       LYS  31   2.565   5.146  -1.697
  243   1HB   LYS  31           HB2      LYS  31   1.081   5.602  -3.615
  244   2HB   LYS  31           HB1      LYS  31   0.748   7.206  -2.972
  245   1HG   LYS  31           HG2      LYS  31   3.049   7.878  -3.234
  246   2HG   LYS  31           HG1      LYS  31   3.550   6.229  -3.591
  247   1HD   LYS  31           HD2      LYS  31   2.056   6.297  -5.629
  248   2HD   LYS  31           HD1      LYS  31   1.780   8.004  -5.303
  249   1HE   LYS  31           HE2      LYS  31   4.532   7.819  -5.158
  250   2HE   LYS  31           HE1      LYS  31   4.149   6.673  -6.437
  251   1HZ   LYS  31           HZ2      LYS  31   2.818   8.432  -7.499
  252   2HZ   LYS  31           HZ1      LYS  31   3.352   9.526  -6.315
  253   3HZ   LYS  31           HZ3      LYS  31   4.467   8.821  -7.385
  254    H    GLN  32           HN       GLN  32   0.546   7.709  -0.379
  255    HA   GLN  32           HA       GLN  32   2.616   9.637   0.020
  256   1HB   GLN  32           HB2      GLN  32   0.108  10.008   0.249
  257   2HB   GLN  32           HB1      GLN  32   0.216   9.225   1.821
  258   1HG   GLN  32           HG2      GLN  32   2.233  10.990   2.108
  259   2HG   GLN  32           HG1      GLN  32   1.252  11.890   0.955
  260   1HE2  GLN  32          HE22      GLN  32  -1.448  12.397   3.240
  261   2HE2  GLN  32          HE21      GLN  32  -1.040  12.328   1.593
  262    OH   TYR  33           OH       TYR  33   4.927   3.115   8.332
  263    H    TYR  33           HN       TYR  33   1.659   6.784   1.764
  264    HA   TYR  33           HA       TYR  33   3.238   7.387   4.138
  265   1HB   TYR  33           HB2      TYR  33   1.275   5.899   4.264
  266   2HB   TYR  33           HB1      TYR  33   2.064   4.766   3.173
  267    HD1  TYR  33           HD1      TYR  33   4.079   3.527   3.906
  268    HD2  TYR  33           HD2      TYR  33   1.977   6.072   6.586
  269    HE1  TYR  33           HE1      TYR  33   5.243   2.494   5.797
  270    HE2  TYR  33           HE2      TYR  33   3.140   5.038   8.480
  271    HH   TYR  33           HH       TYR  33   5.406   3.804   8.797
  272    H    ALA  34           HN       ALA  34   3.539   4.837   1.682
  273    HA   ALA  34           HA       ALA  34   6.059   3.864   2.275
  274   1HB   ALA  34           HB1      ALA  34   4.699   4.337  -0.366
  275   2HB   ALA  34           HB3      ALA  34   6.309   3.632  -0.297
  276   3HB   ALA  34           HB2      ALA  34   4.959   2.816   0.481
  277    H    ASN  35           HN       ASN  35   5.285   6.853   0.584
  278    HA   ASN  35           HA       ASN  35   7.864   7.571  -0.315
  279   1HB   ASN  35           HB2      ASN  35   5.713   8.801  -0.792
  280   2HB   ASN  35           HB1      ASN  35   5.813   9.484   0.828
  281   1HD2  ASN  35          HD22      ASN  35   7.484  12.046  -1.117
  282   2HD2  ASN  35          HD21      ASN  35   5.927  11.538  -0.672
  283    H    ASP  36           HN       ASP  36   6.362   8.017   2.852
  284    HA   ASP  36           HA       ASP  36   8.681   9.408   3.944
  285   1HB   ASP  36           HB2      ASP  36   6.185   8.235   5.179
  286   2HB   ASP  36           HB1      ASP  36   7.452   8.989   6.146
  287    H    ASN  37           HN       ASN  37   8.572   6.451   2.863
  288    HA   ASN  37           HA       ASN  37  10.267   5.351   5.071
  289   1HB   ASN  37           HB2      ASN  37   7.970   4.093   3.621
  290   2HB   ASN  37           HB1      ASN  37   9.308   3.069   4.139
  291   1HD2  ASN  37          HD22      ASN  37   6.706   4.545   6.883
  292   2HD2  ASN  37          HD21      ASN  37   6.554   4.917   5.234
  293    H    GLY  38           HN       GLY  38  10.001   6.192   1.838
  294   1HA   GLY  38           HA2      GLY  38  11.623   6.043   0.131
  295   2HA   GLY  38           HA1      GLY  38  12.653   5.158   1.252
  296    H    VAL  39           HN       VAL  39   9.466   4.585  -0.248
  297    HA   VAL  39           HA       VAL  39  10.542   2.091  -1.445
  298    HB   VAL  39           HB       VAL  39   8.026   2.115   0.238
  299   1HG1  VAL  39          HG11      VAL  39   9.606  -0.047  -1.190
  300   2HG1  VAL  39          HG13      VAL  39   8.352  -0.391  -0.003
  301   3HG1  VAL  39          HG12      VAL  39   7.942   0.436  -1.502
  302   1HG2  VAL  39          HG21      VAL  39  10.847   1.169   0.837
  303   2HG2  VAL  39          HG23      VAL  39   9.918   2.375   1.724
  304   3HG2  VAL  39          HG22      VAL  39   9.442   0.681   1.780
  305    H    ASP  40           HN       ASP  40  10.255   3.517  -3.338
  306    HA   ASP  40           HA       ASP  40   7.412   3.485  -4.289
  307   1HB   ASP  40           HB2      ASP  40   9.490   5.558  -5.024
  308   2HB   ASP  40           HB1      ASP  40   7.776   5.580  -5.430
  309    H    GLY  41           HN       GLY  41   7.116   2.327  -6.075
  310   1HA   GLY  41           HA2      GLY  41   8.887   2.342  -8.327
  311   2HA   GLY  41           HA1      GLY  41   9.164   0.881  -7.383
  312    H    GLU  42           HN       GLU  42   7.666  -0.750  -7.431
  313    HA   GLU  42           HA       GLU  42   5.500  -0.449  -9.456
  314   1HB   GLU  42           HB2      GLU  42   6.915  -2.816  -8.258
  315   2HB   GLU  42           HB1      GLU  42   5.431  -3.005  -9.179
  316   1HG   GLU  42           HG2      GLU  42   7.490  -3.263 -10.593
  317   2HG   GLU  42           HG1      GLU  42   6.460  -1.938 -11.129
  318    CH2  TRP  43           CH2      TRP  43   2.064   2.563  -2.206
  319    H    TRP  43           HN       TRP  43   3.371  -0.801  -8.933
  320    HA   TRP  43           HA       TRP  43   2.773  -1.292  -6.037
  321   1HB   TRP  43           HB2      TRP  43   1.720   0.773  -7.937
  322   2HB   TRP  43           HB1      TRP  43   0.747   0.253  -6.573
  323    HD1  TRP  43           HD1      TRP  43   4.320   1.543  -7.301
  324    HE1  TRP  43           HE1      TRP  43   5.011   2.903  -5.268
  325    HE3  TRP  43           HE3      TRP  43   0.362   0.688  -4.410
  326    HZ2  TRP  43           HZ2      TRP  43   3.961   3.473  -2.555
  327    HZ3  TRP  43           HZ3      TRP  43   0.191   1.546  -2.128
  328    HH2  TRP  43           HH2      TRP  43   1.987   2.935  -1.196
  329    H    THR  44           HN       THR  44   1.199  -2.716  -5.582
  330    HA   THR  44           HA       THR  44  -0.382  -3.818  -7.881
  331    HB   THR  44           HB       THR  44  -0.245  -6.032  -6.477
  332    HG1  THR  44           HG1      THR  44   1.839  -4.356  -5.494
  333   1HG2  THR  44          HG23      THR  44   1.079  -5.543  -8.631
  334   2HG2  THR  44          HG22      THR  44   2.375  -4.968  -7.588
  335   3HG2  THR  44          HG21      THR  44   1.861  -6.650  -7.505
  336    OH   TYR  45           OH       TYR  45  -8.884  -1.408  -3.094
  337    H    TYR  45           HN       TYR  45  -2.336  -5.022  -7.138
  338    HA   TYR  45           HA       TYR  45  -3.514  -3.968  -4.612
  339   1HB   TYR  45           HB2      TYR  45  -4.064  -2.552  -6.719
  340   2HB   TYR  45           HB1      TYR  45  -5.052  -3.925  -7.219
  341    HD1  TYR  45           HD1      TYR  45  -6.532  -4.814  -4.884
  342    HD2  TYR  45           HD2      TYR  45  -5.369  -0.848  -5.872
  343    HE1  TYR  45           HE1      TYR  45  -8.307  -3.939  -3.464
  344    HE2  TYR  45           HE2      TYR  45  -7.186   0.025  -4.492
  345    HH   TYR  45           HH       TYR  45  -8.505  -0.776  -2.479
  346    H    ASP  46           HN       ASP  46  -4.468  -5.600  -3.534
  347    HA   ASP  46           HA       ASP  46  -5.104  -8.106  -5.036
  348   1HB   ASP  46           HB2      ASP  46  -3.483  -8.050  -3.008
  349   2HB   ASP  46           HB1      ASP  46  -4.944  -7.892  -2.039
  350    H    ASP  47           HN       ASP  47  -7.120  -7.039  -5.750
  351    HA   ASP  47           HA       ASP  47  -9.155  -6.268  -3.874
  352   1HB   ASP  47           HB2      ASP  47  -9.377  -5.486  -6.118
  353   2HB   ASP  47           HB1      ASP  47  -9.246  -7.116  -6.773
  354    H    ALA  48           HN       ALA  48  -7.821  -9.240  -4.438
  355    HA   ALA  48           HA       ALA  48 -10.250 -10.856  -4.246
  356   1HB   ALA  48           HB1      ALA  48  -8.062 -11.566  -5.352
  357   2HB   ALA  48           HB3      ALA  48  -7.422 -11.780  -3.725
  358   3HB   ALA  48           HB2      ALA  48  -8.792 -12.744  -4.266
  359    H    THR  49           HN       THR  49  -8.272  -9.184  -2.040
  360    HA   THR  49           HA       THR  49  -9.787 -10.353   0.206
  361    HB   THR  49           HB       THR  49  -7.534 -10.704   1.472
  362    HG1  THR  49           HG1      THR  49  -6.663  -9.555  -0.595
  363   1HG2  THR  49          HG21      THR  49  -8.997 -12.562   0.324
  364   2HG2  THR  49          HG23      THR  49  -7.793 -12.487  -0.958
  365   3HG2  THR  49          HG22      THR  49  -7.312 -12.937   0.675
  366    H    LYS  50           HN       LYS  50  -9.122  -7.708  -1.259
  367    HA   LYS  50           HA       LYS  50  -8.834  -5.456  -0.647
  368   1HB   LYS  50           HB2      LYS  50  -9.773  -6.523   2.032
  369   2HB   LYS  50           HB1      LYS  50  -9.774  -4.833   1.544
  370   1HG   LYS  50           HG2      LYS  50 -11.512  -5.134   0.012
  371   2HG   LYS  50           HG1      LYS  50 -11.172  -6.846  -0.197
  372   1HD   LYS  50           HD2      LYS  50 -11.985  -7.281   2.107
  373   2HD   LYS  50           HD1      LYS  50 -12.346  -5.568   2.294
  374   1HE   LYS  50           HE2      LYS  50 -14.055  -5.636   0.645
  375   2HE   LYS  50           HE1      LYS  50 -13.491  -7.174   0.005
  376   1HZ   LYS  50           HZ2      LYS  50 -14.075  -7.539   2.704
  377   2HZ   LYS  50           HZ1      LYS  50 -15.385  -6.710   2.012
  378   3HZ   LYS  50           HZ3      LYS  50 -14.878  -8.193   1.358
  379    H    THR  51           HN       THR  51  -6.484  -6.419  -0.854
  380    HA   THR  51           HA       THR  51  -5.008  -5.451   1.548
  381    HB   THR  51           HB       THR  51  -4.801  -8.190   0.272
  382    HG1  THR  51           HG1      THR  51  -4.340  -8.105   2.828
  383   1HG2  THR  51          HG21      THR  51  -2.670  -6.813   1.952
  384   2HG2  THR  51          HG23      THR  51  -2.690  -8.515   1.527
  385   3HG2  THR  51          HG22      THR  51  -2.456  -7.303   0.276
  386    H    PHE  52           HN       PHE  52  -3.679  -3.846   0.839
  387    HA   PHE  52           HA       PHE  52  -3.006  -3.656  -2.000
  388   1HB   PHE  52           HB2      PHE  52  -3.019  -1.899   0.291
  389   2HB   PHE  52           HB1      PHE  52  -1.503  -1.776  -0.589
  390    HD1  PHE  52           HD1      PHE  52  -1.516  -1.155  -3.023
  391    HD2  PHE  52           HD2      PHE  52  -5.080  -1.218  -0.730
  392    HE1  PHE  52           HE1      PHE  52  -2.686   0.115  -4.781
  393    HE2  PHE  52           HE2      PHE  52  -6.201   0.165  -2.396
  394    HZ   PHE  52           HZ       PHE  52  -4.996   0.868  -4.410
  395    H    THR  53           HN       THR  53  -0.712  -3.336  -2.669
  396    HA   THR  53           HA       THR  53   1.364  -4.382  -0.889
  397    HB   THR  53           HB       THR  53   0.494  -5.976  -3.330
  398    HG1  THR  53           HG1      THR  53   0.496  -7.491  -1.382
  399   1HG2  THR  53          HG21      THR  53   3.061  -5.772  -1.966
  400   2HG2  THR  53          HG23      THR  53   2.354  -7.364  -1.711
  401   3HG2  THR  53          HG22      THR  53   2.637  -6.779  -3.348
  402    H    VAL  54           HN       VAL  54   3.365  -3.687  -1.499
  403    HA   VAL  54           HA       VAL  54   3.699  -2.584  -4.246
  404    HB   VAL  54           HB       VAL  54   2.995  -0.734  -2.675
  405   1HG1  VAL  54          HG12      VAL  54   4.197  -1.805  -0.716
  406   2HG1  VAL  54          HG11      VAL  54   5.699  -1.194  -1.400
  407   3HG1  VAL  54          HG13      VAL  54   4.439  -0.074  -0.889
  408   1HG2  VAL  54          HG21      VAL  54   5.775  -0.679  -3.873
  409   2HG2  VAL  54          HG23      VAL  54   4.290  -0.072  -4.581
  410   3HG2  VAL  54          HG22      VAL  54   5.002   0.746  -3.200
  411    H    THR  55           HN       THR  55   5.902  -2.511  -4.901
  412    HA   THR  55           HA       THR  55   7.893  -3.698  -3.033
  413    HB   THR  55           HB       THR  55   7.313  -4.829  -5.805
  414    HG1  THR  55           HG1      THR  55   6.230  -5.151  -3.415
  415   1HG2  THR  55          HG23      THR  55   9.530  -5.140  -3.847
  416   2HG2  THR  55          HG22      THR  55   8.808  -6.650  -4.398
  417   3HG2  THR  55          HG21      THR  55   9.502  -5.529  -5.562
  418    H    GLU  56           HN       GLU  56   9.744  -2.575  -3.145
  419    HA   GLU  56           HA       GLU  56  10.128  -0.488  -5.108
  420   1HB   GLU  56           HB2      GLU  56  11.226  -1.120  -2.630
  421   2HB   GLU  56           HB1      GLU  56  12.565  -1.343  -3.745
  422   1HG   GLU  56           HG2      GLU  56  10.816   1.138  -3.571
  423   2HG   GLU  56           HG1      GLU  56  12.458   1.001  -2.947
   
  Start of MODEL          39
 Raw file had 423 H/Q atoms
  Entry Start of MODEL   39
    1   1H    MET   1           HT2      MET   1 -13.360  -1.369   5.206
    2   2H    MET   1           HT1      MET   1 -14.522  -0.153   5.446
    3   3H    MET   1           HT3      MET   1 -14.808  -1.391   4.319
    4    HA   MET   1           HA       MET   1 -13.473  -0.499   2.745
    5   1HB   MET   1           HB2      MET   1 -14.391   1.790   4.483
    6   2HB   MET   1           HB1      MET   1 -13.548   2.063   2.964
    7   1HG   MET   1           HG2      MET   1 -15.266   1.240   1.689
    8   2HG   MET   1           HG1      MET   1 -15.791   0.123   2.919
    9   1HE   MET   1           HE1      MET   1 -16.760   0.704   4.982
   10   2HE   MET   1           HE3      MET   1 -16.444   2.363   5.487
   11   3HE   MET   1           HE2      MET   1 -18.096   1.841   5.157
   12    H    THR   2           HN       THR   2 -11.698  -1.617   4.437
   13    HA   THR   2           HA       THR   2  -9.481   0.380   4.440
   14    HB   THR   2           HB       THR   2  -9.821  -1.628   6.691
   15    HG1  THR   2           HG1      THR   2 -11.500  -0.361   7.079
   16   1HG2  THR   2          HG23      THR   2  -7.642  -0.160   6.108
   17   2HG2  THR   2          HG22      THR   2  -8.588   1.098   6.896
   18   3HG2  THR   2          HG21      THR   2  -8.172  -0.370   7.774
   19    OH   TYR   3           OH       TYR   3 -11.451   0.434  -1.035
   20    H    TYR   3           HN       TYR   3  -7.850  -0.374   3.237
   21    HA   TYR   3           HA       TYR   3  -7.710  -3.312   2.739
   22   1HB   TYR   3           HB2      TYR   3  -6.048  -1.258   1.311
   23   2HB   TYR   3           HB1      TYR   3  -6.572  -2.832   0.743
   24    HD1  TYR   3           HD1      TYR   3  -7.750   0.592   1.561
   25    HD2  TYR   3           HD2      TYR   3  -8.703  -3.094  -0.334
   26    HE1  TYR   3           HE1      TYR   3  -9.731   1.618   0.549
   27    HE2  TYR   3           HE2      TYR   3 -10.682  -2.059  -1.347
   28    HH   TYR   3           HH       TYR   3 -11.893   0.952  -0.358
   29    H    LYS   4           HN       LYS   4  -5.564  -4.306   2.678
   30    HA   LYS   4           HA       LYS   4  -3.814  -3.192   4.832
   31   1HB   LYS   4           HB2      LYS   4  -5.010  -5.594   4.829
   32   2HB   LYS   4           HB1      LYS   4  -3.584  -6.024   3.900
   33   1HG   LYS   4           HG2      LYS   4  -2.366  -4.663   5.878
   34   2HG   LYS   4           HG1      LYS   4  -3.796  -5.197   6.758
   35   1HD   LYS   4           HD2      LYS   4  -3.325  -7.538   5.879
   36   2HD   LYS   4           HD1      LYS   4  -1.780  -6.926   5.300
   37   1HE   LYS   4           HE2      LYS   4  -2.642  -7.539   8.053
   38   2HE   LYS   4           HE1      LYS   4  -1.020  -7.481   7.375
   39   1HZ   LYS   4           HZ3      LYS   4  -1.354  -4.973   7.375
   40   2HZ   LYS   4           HZ2      LYS   4  -2.652  -5.265   8.431
   41   3HZ   LYS   4           HZ1      LYS   4  -1.079  -5.733   8.869
   42    H    LEU   5           HN       LEU   5  -1.928  -2.362   4.141
   43    HA   LEU   5           HA       LEU   5  -0.987  -3.022   1.428
   44   1HB   LEU   5           HB2      LEU   5  -0.872  -0.690   2.002
   45   2HB   LEU   5           HB1      LEU   5  -0.090  -1.033   3.536
   46    HG   LEU   5           HG       LEU   5   1.937  -1.871   2.225
   47   1HD1  LEU   5          HD12      LEU   5   0.416  -0.638  -0.094
   48   2HD1  LEU   5          HD11      LEU   5   2.074  -1.215  -0.154
   49   3HD1  LEU   5          HD13      LEU   5   0.760  -2.354   0.088
   50   1HD2  LEU   5          HD21      LEU   5   1.595   0.514   3.121
   51   2HD2  LEU   5          HD23      LEU   5   2.799   0.306   1.855
   52   3HD2  LEU   5          HD22      LEU   5   1.212   0.953   1.461
   53    H    ILE   6           HN       ILE   6   1.074  -3.883   0.994
   54    HA   ILE   6           HA       ILE   6   2.490  -5.153   3.255
   55    HB   ILE   6           HB       ILE   6   1.817  -6.357   0.570
   56   1HG1  ILE   6          HG12      ILE   6   1.342  -7.581   3.278
   57   2HG1  ILE   6          HG11      ILE   6   0.234  -6.358   2.680
   58   1HG2  ILE   6          HG21      ILE   6   3.995  -6.916   2.506
   59   2HG2  ILE   6          HG23      ILE   6   3.104  -8.328   1.954
   60   3HG2  ILE   6          HG22      ILE   6   3.903  -7.283   0.787
   61   1HD1  ILE   6           HD2      ILE   6   1.002  -8.843   1.112
   62   2HD1  ILE   6           HD1      ILE   6  -0.456  -8.708   2.089
   63   3HD1  ILE   6           HD3      ILE   6  -0.234  -7.667   0.688
   64    H    LEU   7           HN       LEU   7   4.260  -3.881   3.368
   65    HA   LEU   7           HA       LEU   7   5.529  -2.810   0.972
   66   1HB   LEU   7           HB2      LEU   7   6.201  -2.730   3.902
   67   2HB   LEU   7           HB1      LEU   7   7.288  -2.069   2.687
   68    HG   LEU   7           HG       LEU   7   4.440  -1.268   2.434
   69   1HD1  LEU   7          HD12      LEU   7   6.220  -0.259   4.680
   70   2HD1  LEU   7          HD11      LEU   7   4.676   0.449   4.216
   71   3HD1  LEU   7          HD13      LEU   7   4.734  -1.181   4.882
   72   1HD2  LEU   7          HD23      LEU   7   6.356  -0.445   1.008
   73   2HD2  LEU   7          HD22      LEU   7   5.466   0.846   1.809
   74   3HD2  LEU   7          HD21      LEU   7   7.024   0.326   2.443
   75    H    ASN   8           HN       ASN   8   6.751  -4.019  -0.311
   76    HA   ASN   8           HA       ASN   8   8.313  -6.250   0.907
   77   1HB   ASN   8           HB2      ASN   8   6.827  -5.888  -1.553
   78   2HB   ASN   8           HB1      ASN   8   8.470  -6.382  -1.902
   79   1HD2  ASN   8          HD22      ASN   8   5.964  -9.171  -0.877
   80   2HD2  ASN   8          HD21      ASN   8   5.605  -7.718  -1.667
   81    H    GLY   9           HN       GLY   9   9.240  -3.641   1.318
   82   1HA   GLY   9           HA2      GLY   9  11.073  -2.644  -0.586
   83   2HA   GLY   9           HA1      GLY   9  11.247  -2.425   1.150
   84    H    LYS  10           HN       LYS  10  13.109  -3.170  -1.172
   85    HA   LYS  10           HA       LYS  10  14.039  -5.843  -0.738
   86   1HB   LYS  10           HB2      LYS  10  14.607  -4.192  -2.657
   87   2HB   LYS  10           HB1      LYS  10  15.845  -3.579  -1.566
   88   1HG   LYS  10           HG2      LYS  10  16.415  -6.158  -1.290
   89   2HG   LYS  10           HG1      LYS  10  15.625  -6.280  -2.858
   90   1HD   LYS  10           HD2      LYS  10  17.949  -4.443  -2.180
   91   2HD   LYS  10           HD1      LYS  10  18.048  -5.914  -3.142
   92   1HE   LYS  10           HE2      LYS  10  16.051  -4.617  -4.458
   93   2HE   LYS  10           HE1      LYS  10  16.979  -3.241  -3.877
   94   1HZ   LYS  10           HZ3      LYS  10  18.737  -5.191  -4.882
   95   2HZ   LYS  10           HZ2      LYS  10  17.537  -4.881  -6.044
   96   3HZ   LYS  10           HZ1      LYS  10  18.477  -3.606  -5.433
   97    H    THR  11           HN       THR  11  14.462  -2.895   0.990
   98    HA   THR  11           HA       THR  11  16.340  -4.274   2.858
   99    HB   THR  11           HB       THR  11  16.997  -1.704   3.285
  100    HG1  THR  11           HG1      THR  11  16.017  -0.556   1.808
  101   1HG2  THR  11          HG22      THR  11  18.545  -3.503   2.370
  102   2HG2  THR  11          HG21      THR  11  17.892  -3.159   0.771
  103   3HG2  THR  11          HG23      THR  11  18.795  -1.921   1.638
  104    H    LEU  12           HN       LEU  12  13.291  -3.031   2.459
  105    HA   LEU  12           HA       LEU  12  12.945  -2.878   5.404
  106   1HB   LEU  12           HB2      LEU  12  13.442  -0.545   4.455
  107   2HB   LEU  12           HB1      LEU  12  11.865  -0.651   3.681
  108    HG   LEU  12           HG       LEU  12  11.123  -1.389   6.147
  109   1HD1  LEU  12          HD13      LEU  12  13.448  -1.267   7.025
  110   2HD1  LEU  12          HD12      LEU  12  13.511   0.438   6.588
  111   3HD1  LEU  12          HD11      LEU  12  12.393  -0.112   7.833
  112   1HD2  LEU  12          HD23      LEU  12  11.646   1.455   5.216
  113   2HD2  LEU  12          HD22      LEU  12  10.184   0.514   4.934
  114   3HD2  LEU  12          HD21      LEU  12  10.598   1.029   6.566
  115    H    LYS  13           HN       LYS  13  11.550  -4.563   5.502
  116    HA   LYS  13           HA       LYS  13   9.193  -4.552   3.686
  117   1HB   LYS  13           HB2      LYS  13  10.128  -6.720   5.575
  118   2HB   LYS  13           HB1      LYS  13   8.872  -6.870   4.353
  119   1HG   LYS  13           HG2      LYS  13  10.450  -7.411   2.829
  120   2HG   LYS  13           HG1      LYS  13  11.175  -5.827   3.050
  121   1HD   LYS  13           HD2      LYS  13  12.854  -7.540   3.521
  122   2HD   LYS  13           HD1      LYS  13  12.443  -6.708   5.013
  123   1HE   LYS  13           HE2      LYS  13  12.310  -9.496   4.510
  124   2HE   LYS  13           HE1      LYS  13  11.775  -8.649   5.954
  125   1HZ   LYS  13           HZ3      LYS  13  10.107  -9.013   3.532
  126   2HZ   LYS  13           HZ2      LYS  13  10.045 -10.020   4.895
  127   3HZ   LYS  13           HZ1      LYS  13   9.613  -8.386   5.030
  128    H    GLY  14           HN       GLY  14   7.169  -4.172   4.441
  129   1HA   GLY  14           HA2      GLY  14   6.582  -4.390   7.312
  130   2HA   GLY  14           HA1      GLY  14   6.554  -2.746   6.684
  131    H    GLU  15           HN       GLU  15   4.271  -2.900   7.408
  132    HA   GLU  15           HA       GLU  15   2.502  -3.267   5.195
  133   1HB   GLU  15           HB2      GLU  15   1.155  -5.166   6.205
  134   2HB   GLU  15           HB1      GLU  15   2.715  -5.635   5.542
  135   1HG   GLU  15           HG2      GLU  15   3.028  -4.815   8.303
  136   2HG   GLU  15           HG1      GLU  15   1.791  -6.061   8.183
  137    H    THR  16           HN       THR  16   0.713  -2.059   5.564
  138    HA   THR  16           HA       THR  16  -0.221  -1.655   8.342
  139    HB   THR  16           HB       THR  16   1.463   0.162   8.026
  140    HG1  THR  16           HG1      THR  16  -1.173   1.167   7.761
  141   1HG2  THR  16          HG23      THR  16   0.457   0.257   5.401
  142   2HG2  THR  16          HG22      THR  16  -0.214   1.687   6.177
  143   3HG2  THR  16          HG21      THR  16   1.530   1.444   6.132
  144    H    THR  17           HN       THR  17  -2.343  -0.760   8.467
  145    HA   THR  17           HA       THR  17  -3.877  -1.087   5.917
  146    HB   THR  17           HB       THR  17  -5.707  -1.899   7.218
  147    HG1  THR  17           HG1      THR  17  -5.837  -1.303   9.387
  148   1HG2  THR  17          HG23      THR  17  -3.261  -3.119   7.659
  149   2HG2  THR  17          HG22      THR  17  -3.755  -2.705   9.297
  150   3HG2  THR  17          HG21      THR  17  -4.788  -3.720   8.295
  151    H    THR  18           HN       THR  18  -5.055   0.574   5.140
  152    HA   THR  18           HA       THR  18  -5.419   2.985   6.884
  153    HB   THR  18           HB       THR  18  -3.624   3.140   4.952
  154    HG1  THR  18           HG1      THR  18  -4.144   5.257   5.032
  155   1HG2  THR  18          HG23      THR  18  -5.540   2.270   3.302
  156   2HG2  THR  18          HG22      THR  18  -6.061   3.950   3.383
  157   3HG2  THR  18          HG21      THR  18  -4.451   3.555   2.787
  158    H    GLU  19           HN       GLU  19  -7.335   4.144   6.581
  159    HA   GLU  19           HA       GLU  19  -9.483   2.577   5.264
  160   1HB   GLU  19           HB2      GLU  19  -9.645   3.459   7.665
  161   2HB   GLU  19           HB1      GLU  19  -9.839   5.054   6.947
  162   1HG   GLU  19           HG2      GLU  19 -11.792   4.270   5.674
  163   2HG   GLU  19           HG1      GLU  19 -11.578   2.644   6.317
  164    H    ALA  20           HN       ALA  20 -10.410   3.208   3.415
  165    HA   ALA  20           HA       ALA  20 -10.131   6.044   2.550
  166   1HB   ALA  20           HB2      ALA  20  -8.919   3.670   1.295
  167   2HB   ALA  20           HB1      ALA  20  -9.789   4.719   0.183
  168   3HB   ALA  20           HB3      ALA  20  -8.471   5.363   1.155
  169    H    VAL  21           HN       VAL  21 -11.529   6.471   0.592
  170    HA   VAL  21           HA       VAL  21 -14.123   5.077   0.986
  171    HB   VAL  21           HB       VAL  21 -13.819   7.653   1.016
  172   1HG1  VAL  21          HG13      VAL  21 -12.507   7.385  -1.261
  173   2HG1  VAL  21          HG12      VAL  21 -14.121   7.379  -1.965
  174   3HG1  VAL  21          HG11      VAL  21 -13.573   8.768  -1.031
  175   1HG2  VAL  21          HG23      VAL  21 -15.881   6.088  -0.532
  176   2HG2  VAL  21          HG22      VAL  21 -16.041   6.867   1.040
  177   3HG2  VAL  21          HG21      VAL  21 -16.000   7.842  -0.427
  178    H    ASP  22           HN       ASP  22 -11.533   5.358  -1.250
  179    HA   ASP  22           HA       ASP  22 -12.934   3.496  -3.073
  180   1HB   ASP  22           HB2      ASP  22 -12.198   4.929  -5.053
  181   2HB   ASP  22           HB1      ASP  22 -13.541   5.562  -4.106
  182    H    ALA  23           HN       ALA  23 -11.420   2.685  -4.789
  183    HA   ALA  23           HA       ALA  23  -8.920   1.890  -3.558
  184   1HB   ALA  23           HB1      ALA  23 -10.371   1.307  -6.078
  185   2HB   ALA  23           HB3      ALA  23  -8.622   1.107  -6.132
  186   3HB   ALA  23           HB2      ALA  23  -9.575   0.204  -4.959
  187    H    ALA  24           HN       ALA  24  -9.877   4.331  -5.857
  188    HA   ALA  24           HA       ALA  24  -7.304   4.899  -6.965
  189   1HB   ALA  24           HB3      ALA  24  -9.775   6.591  -6.567
  190   2HB   ALA  24           HB2      ALA  24  -8.330   7.216  -7.355
  191   3HB   ALA  24           HB1      ALA  24  -9.196   5.852  -8.056
  192    H    THR  25           HN       THR  25  -9.045   6.566  -4.340
  193    HA   THR  25           HA       THR  25  -6.840   8.216  -3.590
  194    HB   THR  25           HB       THR  25  -9.384   8.334  -2.855
  195    HG1  THR  25           HG1      THR  25  -7.543   8.792  -0.800
  196   1HG2  THR  25          HG21      THR  25  -8.998   6.052  -1.572
  197   2HG2  THR  25          HG23      THR  25  -8.178   7.075  -0.398
  198   3HG2  THR  25          HG22      THR  25  -9.878   7.346  -0.765
  199    H    ALA  26           HN       ALA  26  -7.586   4.887  -2.928
  200    HA   ALA  26           HA       ALA  26  -5.898   4.597  -0.604
  201   1HB   ALA  26           HB2      ALA  26  -6.716   2.524  -2.658
  202   2HB   ALA  26           HB1      ALA  26  -6.009   2.176  -1.083
  203   3HB   ALA  26           HB3      ALA  26  -7.604   2.916  -1.190
  204    H    GLU  27           HN       GLU  27  -5.371   4.293  -4.075
  205    HA   GLU  27           HA       GLU  27  -2.724   3.259  -3.997
  206   1HB   GLU  27           HB2      GLU  27  -4.144   5.037  -5.988
  207   2HB   GLU  27           HB1      GLU  27  -2.533   4.393  -6.263
  208   1HG   GLU  27           HG2      GLU  27  -3.470   2.078  -5.881
  209   2HG   GLU  27           HG1      GLU  27  -5.074   2.802  -5.826
  210    H    LYS  28           HN       LYS  28  -3.963   6.560  -3.884
  211    HA   LYS  28           HA       LYS  28  -1.295   7.747  -3.847
  212   1HB   LYS  28           HB2      LYS  28  -3.907   9.058  -3.074
  213   2HB   LYS  28           HB1      LYS  28  -2.434   9.851  -3.620
  214   1HG   LYS  28           HG2      LYS  28  -2.649   8.738  -5.823
  215   2HG   LYS  28           HG1      LYS  28  -4.123   7.944  -5.278
  216   1HD   LYS  28           HD2      LYS  28  -5.091  10.237  -4.826
  217   2HD   LYS  28           HD1      LYS  28  -3.673  10.924  -5.610
  218   1HE   LYS  28           HE2      LYS  28  -4.542   8.944  -7.384
  219   2HE   LYS  28           HE1      LYS  28  -6.029   9.688  -6.811
  220   1HZ   LYS  28           HZ3      LYS  28  -4.455  11.821  -7.254
  221   2HZ   LYS  28           HZ2      LYS  28  -3.962  10.769  -8.494
  222   3HZ   LYS  28           HZ1      LYS  28  -5.597  11.211  -8.354
  223    H    VAL  29           HN       VAL  29  -3.832   7.123  -1.455
  224    HA   VAL  29           HA       VAL  29  -2.619   8.399   0.766
  225    HB   VAL  29           HB       VAL  29  -4.432   5.991   0.571
  226   1HG1  VAL  29          HG11      VAL  29  -3.218   7.348   2.984
  227   2HG1  VAL  29          HG13      VAL  29  -4.767   6.516   3.089
  228   3HG1  VAL  29          HG12      VAL  29  -3.317   5.624   2.636
  229   1HG2  VAL  29          HG23      VAL  29  -5.096   8.477   0.033
  230   2HG2  VAL  29          HG22      VAL  29  -6.154   7.518   1.062
  231   3HG2  VAL  29          HG21      VAL  29  -5.046   8.683   1.780
  232    H    PHE  30           HN       PHE  30  -2.522   4.921  -0.020
  233    HA   PHE  30           HA       PHE  30  -0.537   4.257   1.899
  234   1HB   PHE  30           HB2      PHE  30  -1.512   2.997  -0.633
  235   2HB   PHE  30           HB1      PHE  30  -0.030   2.381   0.086
  236    HD1  PHE  30           HD1      PHE  30  -0.260   2.156   2.823
  237    HD2  PHE  30           HD2      PHE  30  -3.463   1.890   0.022
  238    HE1  PHE  30           HE1      PHE  30  -1.596   0.895   4.456
  239    HE2  PHE  30           HE2      PHE  30  -4.773   0.626   1.660
  240    HZ   PHE  30           HZ       PHE  30  -3.837   0.086   3.858
  241    H    LYS  31           HN       LYS  31  -0.253   5.386  -1.434
  242    HA   LYS  31           HA       LYS  31   2.567   5.025  -1.696
  243   1HB   LYS  31           HB2      LYS  31   1.153   5.533  -3.624
  244   2HB   LYS  31           HB1      LYS  31   0.761   7.108  -2.944
  245   1HG   LYS  31           HG2      LYS  31   3.648   6.641  -3.071
  246   2HG   LYS  31           HG1      LYS  31   2.888   6.562  -4.656
  247   1HD   LYS  31           HD2      LYS  31   1.810   8.749  -4.255
  248   2HD   LYS  31           HD1      LYS  31   2.555   8.828  -2.663
  249   1HE   LYS  31           HE2      LYS  31   3.869  10.122  -4.306
  250   2HE   LYS  31           HE1      LYS  31   4.797   8.752  -3.708
  251   1HZ   LYS  31           HZ2      LYS  31   3.187   8.543  -6.169
  252   2HZ   LYS  31           HZ1      LYS  31   4.762   9.178  -6.200
  253   3HZ   LYS  31           HZ3      LYS  31   4.498   7.587  -5.669
  254    H    GLN  32           HN       GLN  32   0.631   7.558  -0.244
  255    HA   GLN  32           HA       GLN  32   2.742   9.464   0.123
  256   1HB   GLN  32           HB2      GLN  32   0.225   9.839   0.398
  257   2HB   GLN  32           HB1      GLN  32   0.388   9.086   1.981
  258   1HG   GLN  32           HG2      GLN  32   2.394  10.820   2.224
  259   2HG   GLN  32           HG1      GLN  32   1.482  11.704   1.004
  260   1HE2  GLN  32          HE22      GLN  32  -1.291  12.355   3.184
  261   2HE2  GLN  32          HE21      GLN  32  -0.868  12.149   1.554
  262    OH   TYR  33           OH       TYR  33   5.188   2.631   8.144
  263    H    TYR  33           HN       TYR  33   1.785   6.588   1.822
  264    HA   TYR  33           HA       TYR  33   3.337   7.119   4.220
  265   1HB   TYR  33           HB2      TYR  33   1.444   5.546   4.256
  266   2HB   TYR  33           HB1      TYR  33   2.274   4.515   3.097
  267    HD1  TYR  33           HD1      TYR  33   4.389   3.361   3.749
  268    HD2  TYR  33           HD2      TYR  33   2.085   5.534   6.586
  269    HE1  TYR  33           HE1      TYR  33   5.587   2.248   5.573
  270    HE2  TYR  33           HE2      TYR  33   3.282   4.421   8.412
  271    HH   TYR  33           HH       TYR  33   5.437   1.754   7.844
  272    H    ALA  34           HN       ALA  34   3.779   4.755   1.605
  273    HA   ALA  34           HA       ALA  34   6.337   3.851   2.188
  274   1HB   ALA  34           HB1      ALA  34   4.677   4.020  -0.184
  275   2HB   ALA  34           HB3      ALA  34   6.377   4.224  -0.591
  276   3HB   ALA  34           HB2      ALA  34   5.845   2.782   0.267
  277    H    ASN  35           HN       ASN  35   5.432   6.886   0.647
  278    HA   ASN  35           HA       ASN  35   7.971   7.783  -0.187
  279   1HB   ASN  35           HB2      ASN  35   5.871   8.991  -0.677
  280   2HB   ASN  35           HB1      ASN  35   5.739   9.441   1.021
  281   1HD2  ASN  35          HD22      ASN  35   8.753  11.148  -1.210
  282   2HD2  ASN  35          HD21      ASN  35   8.193   9.600  -1.625
  283    H    ASP  36           HN       ASP  36   6.478   7.875   3.002
  284    HA   ASP  36           HA       ASP  36   8.595   9.406   4.241
  285   1HB   ASP  36           HB2      ASP  36   6.408   7.630   5.338
  286   2HB   ASP  36           HB1      ASP  36   7.569   8.447   6.382
  287    H    ASN  37           HN       ASN  37   8.915   6.636   2.747
  288    HA   ASN  37           HA       ASN  37  10.959   5.611   4.671
  289   1HB   ASN  37           HB2      ASN  37   8.929   4.011   3.098
  290   2HB   ASN  37           HB1      ASN  37  10.355   3.289   3.839
  291   1HD2  ASN  37          HD22      ASN  37   7.564   4.945   6.381
  292   2HD2  ASN  37          HD21      ASN  37   7.845   5.678   4.875
  293    H    GLY  38           HN       GLY  38   9.913   6.099   1.374
  294   1HA   GLY  38           HA2      GLY  38  11.519   6.686  -0.364
  295   2HA   GLY  38           HA1      GLY  38  12.740   5.755   0.496
  296    H    VAL  39           HN       VAL  39   9.593   4.390   0.172
  297    HA   VAL  39           HA       VAL  39  10.711   2.349  -1.683
  298    HB   VAL  39           HB       VAL  39   8.109   2.263  -0.140
  299   1HG1  VAL  39          HG13      VAL  39   9.825   0.110  -1.428
  300   2HG1  VAL  39          HG12      VAL  39   8.335  -0.171  -0.534
  301   3HG1  VAL  39          HG11      VAL  39   8.294   0.706  -2.060
  302   1HG2  VAL  39          HG23      VAL  39  10.867   1.212   0.586
  303   2HG2  VAL  39          HG22      VAL  39  10.000   2.502   1.415
  304   3HG2  VAL  39          HG21      VAL  39   9.387   0.852   1.471
  305    H    ASP  40           HN       ASP  40  10.500   3.338  -3.691
  306    HA   ASP  40           HA       ASP  40   7.684   3.677  -4.625
  307   1HB   ASP  40           HB2      ASP  40   9.892   5.497  -5.565
  308   2HB   ASP  40           HB1      ASP  40   8.150   5.731  -5.690
  309    H    GLY  41           HN       GLY  41   7.451   2.053  -6.036
  310   1HA   GLY  41           HA2      GLY  41   9.175   1.973  -8.402
  311   2HA   GLY  41           HA1      GLY  41   9.305   0.543  -7.382
  312    H    GLU  42           HN       GLU  42   7.718  -0.981  -7.458
  313    HA   GLU  42           HA       GLU  42   5.557  -0.530  -9.466
  314   1HB   GLU  42           HB2      GLU  42   6.466  -3.128  -8.231
  315   2HB   GLU  42           HB1      GLU  42   5.421  -2.936  -9.631
  316   1HG   GLU  42           HG2      GLU  42   7.781  -1.428 -10.151
  317   2HG   GLU  42           HG1      GLU  42   8.300  -3.002  -9.550
  318    CH2  TRP  43           CH2      TRP  43   2.157   2.436  -2.188
  319    H    TRP  43           HN       TRP  43   3.404  -0.938  -8.958
  320    HA   TRP  43           HA       TRP  43   2.806  -1.382  -6.055
  321   1HB   TRP  43           HB2      TRP  43   1.792   0.715  -7.943
  322   2HB   TRP  43           HB1      TRP  43   0.805   0.205  -6.585
  323    HD1  TRP  43           HD1      TRP  43   4.384   1.472  -7.307
  324    HE1  TRP  43           HE1      TRP  43   5.104   2.782  -5.254
  325    HE3  TRP  43           HE3      TRP  43   0.433   0.608  -4.412
  326    HZ2  TRP  43           HZ2      TRP  43   4.062   3.333  -2.528
  327    HZ3  TRP  43           HZ3      TRP  43   0.273   1.440  -2.122
  328    HH2  TRP  43           HH2      TRP  43   2.084   2.799  -1.173
  329    H    THR  44           HN       THR  44   1.240  -2.809  -5.609
  330    HA   THR  44           HA       THR  44  -0.377  -3.869  -7.902
  331    HB   THR  44           HB       THR  44  -0.274  -6.086  -6.499
  332    HG1  THR  44           HG1      THR  44   0.652  -4.825  -4.731
  333   1HG2  THR  44          HG21      THR  44   1.076  -5.578  -8.653
  334   2HG2  THR  44          HG23      THR  44   2.383  -5.092  -7.577
  335   3HG2  THR  44          HG22      THR  44   1.791  -6.750  -7.549
  336    OH   TYR  45           OH       TYR  45  -8.849  -1.295  -3.124
  337    H    TYR  45           HN       TYR  45  -2.377  -4.960  -7.227
  338    HA   TYR  45           HA       TYR  45  -3.533  -3.933  -4.673
  339   1HB   TYR  45           HB2      TYR  45  -4.059  -2.494  -6.774
  340   2HB   TYR  45           HB1      TYR  45  -5.072  -3.848  -7.279
  341    HD1  TYR  45           HD1      TYR  45  -6.569  -4.725  -4.960
  342    HD2  TYR  45           HD2      TYR  45  -5.329  -0.773  -5.906
  343    HE1  TYR  45           HE1      TYR  45  -8.322  -3.833  -3.523
  344    HE2  TYR  45           HE2      TYR  45  -7.130   0.120  -4.512
  345    HH   TYR  45           HH       TYR  45  -8.473  -1.081  -2.267
  346    H    ASP  46           HN       ASP  46  -4.537  -5.540  -3.610
  347    HA   ASP  46           HA       ASP  46  -5.262  -8.011  -5.137
  348   1HB   ASP  46           HB2      ASP  46  -3.550  -8.022  -3.170
  349   2HB   ASP  46           HB1      ASP  46  -4.976  -7.894  -2.147
  350    H    ASP  47           HN       ASP  47  -7.309  -7.077  -5.759
  351    HA   ASP  47           HA       ASP  47  -9.233  -6.204  -3.784
  352   1HB   ASP  47           HB2      ASP  47  -9.667  -5.402  -5.947
  353   2HB   ASP  47           HB1      ASP  47  -9.375  -6.972  -6.690
  354    H    ALA  48           HN       ALA  48  -8.014  -9.222  -4.547
  355    HA   ALA  48           HA       ALA  48 -10.391 -10.835  -4.243
  356   1HB   ALA  48           HB3      ALA  48  -7.748 -11.306  -4.941
  357   2HB   ALA  48           HB2      ALA  48  -7.903 -12.107  -3.380
  358   3HB   ALA  48           HB1      ALA  48  -8.980 -12.542  -4.704
  359    H    THR  49           HN       THR  49  -8.269  -9.240  -2.030
  360    HA   THR  49           HA       THR  49  -9.931 -10.228   0.215
  361    HB   THR  49           HB       THR  49  -7.592 -10.514   1.485
  362    HG1  THR  49           HG1      THR  49  -6.190 -10.014  -0.078
  363   1HG2  THR  49          HG21      THR  49  -8.539 -12.527  -0.597
  364   2HG2  THR  49          HG23      THR  49  -7.510 -12.888   0.787
  365   3HG2  THR  49          HG22      THR  49  -9.186 -12.409   1.037
  366    H    LYS  50           HN       LYS  50  -9.193  -7.657  -1.302
  367    HA   LYS  50           HA       LYS  50  -8.826  -5.398  -0.758
  368   1HB   LYS  50           HB2      LYS  50  -9.942  -6.484   1.836
  369   2HB   LYS  50           HB1      LYS  50  -9.648  -4.772   1.562
  370   1HG   LYS  50           HG2      LYS  50 -11.130  -4.842  -0.427
  371   2HG   LYS  50           HG1      LYS  50 -11.434  -6.550  -0.134
  372   1HD   LYS  50           HD2      LYS  50 -13.251  -5.653   0.987
  373   2HD   LYS  50           HD1      LYS  50 -12.078  -5.641   2.299
  374   1HE   LYS  50           HE2      LYS  50 -11.443  -3.275   1.332
  375   2HE   LYS  50           HE1      LYS  50 -13.042  -3.351   0.602
  376   1HZ   LYS  50           HZ3      LYS  50 -13.730  -4.028   3.003
  377   2HZ   LYS  50           HZ2      LYS  50 -12.293  -3.230   3.432
  378   3HZ   LYS  50           HZ1      LYS  50 -13.513  -2.393   2.597
  379    H    THR  51           HN       THR  51  -6.507  -6.470  -0.921
  380    HA   THR  51           HA       THR  51  -5.007  -5.497   1.470
  381    HB   THR  51           HB       THR  51  -4.829  -8.218   0.161
  382    HG1  THR  51           HG1      THR  51  -5.916  -8.154   2.048
  383   1HG2  THR  51          HG22      THR  51  -2.670  -6.834   1.797
  384   2HG2  THR  51          HG21      THR  51  -2.701  -8.549   1.426
  385   3HG2  THR  51          HG23      THR  51  -2.486  -7.376   0.135
  386    H    PHE  52           HN       PHE  52  -3.726  -3.860   0.755
  387    HA   PHE  52           HA       PHE  52  -3.016  -3.661  -2.070
  388   1HB   PHE  52           HB2      PHE  52  -3.028  -1.927   0.238
  389   2HB   PHE  52           HB1      PHE  52  -1.503  -1.811  -0.628
  390    HD1  PHE  52           HD1      PHE  52  -1.509  -1.200  -3.086
  391    HD2  PHE  52           HD2      PHE  52  -5.054  -1.177  -0.767
  392    HE1  PHE  52           HE1      PHE  52  -2.649   0.127  -4.819
  393    HE2  PHE  52           HE2      PHE  52  -6.149   0.248  -2.414
  394    HZ   PHE  52           HZ       PHE  52  -4.936   0.934  -4.430
  395    H    THR  53           HN       THR  53  -0.700  -3.356  -2.710
  396    HA   THR  53           HA       THR  53   1.340  -4.419  -0.909
  397    HB   THR  53           HB       THR  53   0.480  -6.031  -3.340
  398    HG1  THR  53           HG1      THR  53   0.376  -6.204  -0.521
  399   1HG2  THR  53          HG22      THR  53   2.979  -5.934  -1.745
  400   2HG2  THR  53          HG21      THR  53   2.247  -7.533  -1.845
  401   3HG2  THR  53          HG23      THR  53   2.698  -6.678  -3.316
  402    H    VAL  54           HN       VAL  54   3.321  -3.669  -1.459
  403    HA   VAL  54           HA       VAL  54   3.708  -2.614  -4.228
  404    HB   VAL  54           HB       VAL  54   3.077  -0.756  -2.633
  405   1HG1  VAL  54          HG12      VAL  54   4.254  -1.879  -0.690
  406   2HG1  VAL  54          HG11      VAL  54   5.772  -1.325  -1.384
  407   3HG1  VAL  54          HG13      VAL  54   4.564  -0.158  -0.857
  408   1HG2  VAL  54          HG22      VAL  54   5.850  -0.785  -3.851
  409   2HG2  VAL  54          HG21      VAL  54   4.377  -0.135  -4.552
  410   3HG2  VAL  54          HG23      VAL  54   5.120   0.661  -3.174
  411    H    THR  55           HN       THR  55   5.906  -2.621  -4.892
  412    HA   THR  55           HA       THR  55   7.848  -3.913  -3.047
  413    HB   THR  55           HB       THR  55   7.316  -4.975  -5.853
  414    HG1  THR  55           HG1      THR  55   6.755  -6.138  -3.333
  415   1HG2  THR  55          HG23      THR  55   9.384  -5.443  -3.826
  416   2HG2  THR  55          HG22      THR  55   8.460  -6.904  -4.164
  417   3HG2  THR  55          HG21      THR  55   9.289  -6.065  -5.467
  418    H    GLU  56           HN       GLU  56   9.657  -2.748  -3.091
  419    HA   GLU  56           HA       GLU  56  10.172  -0.695  -5.021
  420   1HB   GLU  56           HB2      GLU  56  11.220  -1.414  -2.566
  421   2HB   GLU  56           HB1      GLU  56  12.552  -1.739  -3.669
  422   1HG   GLU  56           HG2      GLU  56  10.998   0.864  -3.472
  423   2HG   GLU  56           HG1      GLU  56  12.644   0.599  -2.901
   
  Start of MODEL          40
 Raw file had 423 H/Q atoms
  Entry Start of MODEL   40
    1   1H    MET   1           HT1      MET   1 -14.027   1.987   4.459
    2   2H    MET   1           HT3      MET   1 -15.307   0.874   4.534
    3   3H    MET   1           HT2      MET   1 -14.182   0.959   5.801
    4    HA   MET   1           HA       MET   1 -13.700  -0.960   4.482
    5   1HB   MET   1           HB2      MET   1 -13.233   0.888   2.142
    6   2HB   MET   1           HB1      MET   1 -13.309  -0.871   2.141
    7   1HG   MET   1           HG2      MET   1 -15.426  -0.422   1.398
    8   2HG   MET   1           HG1      MET   1 -15.720  -0.446   3.116
    9   1HE   MET   1           HE1      MET   1 -17.901   0.388   1.748
   10   2HE   MET   1           HE3      MET   1 -17.854   0.884   3.440
   11   3HE   MET   1           HE2      MET   1 -18.353   2.032   2.197
   12    H    THR   2           HN       THR   2 -11.604  -1.621   4.574
   13    HA   THR   2           HA       THR   2  -9.453   0.418   4.410
   14    HB   THR   2           HB       THR   2  -9.788  -1.411   6.827
   15    HG1  THR   2           HG1      THR   2 -10.892   0.245   7.546
   16   1HG2  THR   2          HG23      THR   2  -7.450  -0.294   5.859
   17   2HG2  THR   2          HG22      THR   2  -8.066   0.995   6.887
   18   3HG2  THR   2          HG21      THR   2  -7.761  -0.600   7.564
   19    OH   TYR   3           OH       TYR   3 -11.640  -0.060  -1.136
   20    H    TYR   3           HN       TYR   3  -7.838  -0.369   3.212
   21    HA   TYR   3           HA       TYR   3  -7.717  -3.314   2.782
   22   1HB   TYR   3           HB2      TYR   3  -6.129  -1.234   1.289
   23   2HB   TYR   3           HB1      TYR   3  -6.530  -2.864   0.777
   24    HD1  TYR   3           HD1      TYR   3  -8.024   0.462   1.537
   25    HD2  TYR   3           HD2      TYR   3  -8.575  -3.301  -0.365
   26    HE1  TYR   3           HE1      TYR   3 -10.072   1.295   0.481
   27    HE2  TYR   3           HE2      TYR   3 -10.624  -2.469  -1.421
   28    HH   TYR   3           HH       TYR   3 -11.900  -0.685  -1.817
   29    H    LYS   4           HN       LYS   4  -5.641  -4.384   2.812
   30    HA   LYS   4           HA       LYS   4  -3.855  -3.228   4.912
   31   1HB   LYS   4           HB2      LYS   4  -5.059  -5.628   4.913
   32   2HB   LYS   4           HB1      LYS   4  -3.617  -6.062   4.006
   33   1HG   LYS   4           HG2      LYS   4  -2.328  -4.806   5.899
   34   2HG   LYS   4           HG1      LYS   4  -3.815  -5.002   6.818
   35   1HD   LYS   4           HD2      LYS   4  -3.528  -7.523   5.830
   36   2HD   LYS   4           HD1      LYS   4  -1.840  -7.047   5.975
   37   1HE   LYS   4           HE2      LYS   4  -2.273  -6.356   8.337
   38   2HE   LYS   4           HE1      LYS   4  -3.929  -6.929   8.177
   39   1HZ   LYS   4           HZ2      LYS   4  -3.024  -9.141   7.644
   40   2HZ   LYS   4           HZ1      LYS   4  -1.460  -8.557   7.960
   41   3HZ   LYS   4           HZ3      LYS   4  -2.614  -8.612   9.206
   42    H    LEU   5           HN       LEU   5  -1.949  -2.430   4.232
   43    HA   LEU   5           HA       LEU   5  -1.021  -3.106   1.515
   44   1HB   LEU   5           HB2      LEU   5  -0.933  -0.764   2.037
   45   2HB   LEU   5           HB1      LEU   5  -0.158  -1.061   3.583
   46    HG   LEU   5           HG       LEU   5   1.891  -1.901   2.296
   47   1HD1  LEU   5          HD12      LEU   5   0.689  -2.404   0.157
   48   2HD1  LEU   5          HD11      LEU   5   0.405  -0.680  -0.053
   49   3HD1  LEU   5          HD13      LEU   5   2.043  -1.314  -0.083
   50   1HD2  LEU   5          HD22      LEU   5   1.559   0.466   3.178
   51   2HD2  LEU   5          HD21      LEU   5   2.718   0.291   1.866
   52   3HD2  LEU   5          HD23      LEU   5   1.106   0.908   1.538
   53    H    ILE   6           HN       ILE   6   1.085  -3.897   1.090
   54    HA   ILE   6           HA       ILE   6   2.532  -5.103   3.365
   55    HB   ILE   6           HB       ILE   6   2.091  -6.481   0.710
   56   1HG1  ILE   6          HG12      ILE   6   0.681  -6.742   3.381
   57   2HG1  ILE   6          HG11      ILE   6  -0.047  -6.408   1.814
   58   1HG2  ILE   6          HG21      ILE   6   4.163  -6.986   2.176
   59   2HG2  ILE   6          HG23      ILE   6   3.025  -7.670   3.330
   60   3HG2  ILE   6          HG22      ILE   6   3.163  -8.357   1.715
   61   1HD1  ILE   6           HD3      ILE   6   0.929  -8.692   1.081
   62   2HD1  ILE   6           HD2      ILE   6   1.162  -8.999   2.801
   63   3HD1  ILE   6           HD1      ILE   6  -0.456  -8.722   2.167
   64    H    LEU   7           HN       LEU   7   4.301  -3.837   3.389
   65    HA   LEU   7           HA       LEU   7   5.505  -2.827   0.933
   66   1HB   LEU   7           HB2      LEU   7   6.237  -2.644   3.845
   67   2HB   LEU   7           HB1      LEU   7   7.281  -1.998   2.587
   68    HG   LEU   7           HG       LEU   7   4.452  -1.236   2.272
   69   1HD1  LEU   7          HD13      LEU   7   6.038  -0.338   4.701
   70   2HD1  LEU   7          HD12      LEU   7   4.576   0.455   4.124
   71   3HD1  LEU   7          HD11      LEU   7   4.503  -1.202   4.713
   72   1HD2  LEU   7          HD22      LEU   7   6.474  -0.325   1.035
   73   2HD2  LEU   7          HD21      LEU   7   5.456   0.908   1.771
   74   3HD2  LEU   7          HD23      LEU   7   6.967   0.440   2.542
   75    H    ASN   8           HN       ASN   8   6.740  -4.027  -0.337
   76    HA   ASN   8           HA       ASN   8   8.388  -6.183   0.910
   77   1HB   ASN   8           HB2      ASN   8   6.766  -5.990  -1.498
   78   2HB   ASN   8           HB1      ASN   8   8.391  -6.519  -1.873
   79   1HD2  ASN   8          HD22      ASN   8   5.944  -9.234  -0.591
   80   2HD2  ASN   8          HD21      ASN   8   5.573  -7.858  -1.503
   81    H    GLY   9           HN       GLY   9   9.186  -3.461   0.998
   82   1HA   GLY   9           HA2      GLY   9  10.885  -2.587  -1.053
   83   2HA   GLY   9           HA1      GLY   9  11.163  -2.226   0.643
   84    H    LYS  10           HN       LYS  10  12.958  -3.017  -1.664
   85    HA   LYS  10           HA       LYS  10  13.981  -5.638  -1.295
   86   1HB   LYS  10           HB2      LYS  10  14.627  -4.199  -3.188
   87   2HB   LYS  10           HB1      LYS  10  15.482  -3.127  -2.086
   88   1HG   LYS  10           HG2      LYS  10  17.287  -4.491  -2.042
   89   2HG   LYS  10           HG1      LYS  10  16.289  -5.897  -1.690
   90   1HD   LYS  10           HD2      LYS  10  15.744  -6.147  -4.066
   91   2HD   LYS  10           HD1      LYS  10  16.636  -4.680  -4.450
   92   1HE   LYS  10           HE2      LYS  10  18.577  -5.830  -4.534
   93   2HE   LYS  10           HE1      LYS  10  18.315  -6.455  -2.911
   94   1HZ   LYS  10           HZ3      LYS  10  17.045  -7.597  -5.330
   95   2HZ   LYS  10           HZ2      LYS  10  18.498  -8.173  -4.667
   96   3HZ   LYS  10           HZ1      LYS  10  17.061  -8.254  -3.765
   97    H    THR  11           HN       THR  11  15.158  -2.581   0.078
   98    HA   THR  11           HA       THR  11  16.728  -4.119   2.063
   99    HB   THR  11           HB       THR  11  17.357  -1.567   2.649
  100    HG1  THR  11           HG1      THR  11  17.208  -0.699   0.308
  101   1HG2  THR  11          HG21      THR  11  18.220  -2.906   0.055
  102   2HG2  THR  11          HG23      THR  11  19.100  -1.638   0.901
  103   3HG2  THR  11          HG22      THR  11  18.944  -3.235   1.626
  104    H    LEU  12           HN       LEU  12  13.632  -3.200   1.859
  105    HA   LEU  12           HA       LEU  12  13.385  -3.059   4.800
  106   1HB   LEU  12           HB2      LEU  12  13.665  -0.686   3.811
  107   2HB   LEU  12           HB1      LEU  12  12.038  -0.910   3.179
  108    HG   LEU  12           HG       LEU  12  11.662  -1.739   5.740
  109   1HD1  LEU  12          HD11      LEU  12  14.035  -1.195   6.307
  110   2HD1  LEU  12          HD13      LEU  12  13.732   0.482   5.866
  111   3HD1  LEU  12          HD12      LEU  12  12.891  -0.232   7.239
  112   1HD2  LEU  12          HD22      LEU  12  11.547   1.033   4.528
  113   2HD2  LEU  12          HD21      LEU  12  10.225  -0.111   4.745
  114   3HD2  LEU  12          HD23      LEU  12  10.929   0.698   6.143
  115    H    LYS  13           HN       LYS  13  11.344  -3.621   5.567
  116    HA   LYS  13           HA       LYS  13   9.235  -4.250   3.571
  117   1HB   LYS  13           HB2      LYS  13  10.357  -6.236   5.573
  118   2HB   LYS  13           HB1      LYS  13   8.895  -6.496   4.637
  119   1HG   LYS  13           HG2      LYS  13  10.379  -7.516   3.201
  120   2HG   LYS  13           HG1      LYS  13  10.575  -5.874   2.614
  121   1HD   LYS  13           HD2      LYS  13  12.799  -6.460   2.991
  122   2HD   LYS  13           HD1      LYS  13  12.394  -5.740   4.545
  123   1HE   LYS  13           HE2      LYS  13  11.640  -8.168   5.184
  124   2HE   LYS  13           HE1      LYS  13  12.644  -8.652   3.822
  125   1HZ   LYS  13           HZ3      LYS  13  14.359  -7.095   4.986
  126   2HZ   LYS  13           HZ2      LYS  13  13.423  -7.425   6.363
  127   3HZ   LYS  13           HZ1      LYS  13  14.150  -8.698   5.506
  128    H    GLY  14           HN       GLY  14   7.123  -4.383   4.494
  129   1HA   GLY  14           HA2      GLY  14   6.655  -4.117   7.325
  130   2HA   GLY  14           HA1      GLY  14   6.564  -2.540   6.548
  131    H    GLU  15           HN       GLU  15   4.308  -2.736   7.400
  132    HA   GLU  15           HA       GLU  15   2.473  -3.326   5.283
  133   1HB   GLU  15           HB2      GLU  15   1.260  -5.215   6.337
  134   2HB   GLU  15           HB1      GLU  15   2.906  -5.665   5.917
  135   1HG   GLU  15           HG2      GLU  15   3.095  -6.341   8.081
  136   2HG   GLU  15           HG1      GLU  15   3.191  -4.627   8.476
  137    H    THR  16           HN       THR  16   0.729  -2.064   5.612
  138    HA   THR  16           HA       THR  16  -0.209  -1.540   8.368
  139    HB   THR  16           HB       THR  16   1.391   0.278   8.154
  140    HG1  THR  16           HG1      THR  16  -0.394   1.167   8.959
  141   1HG2  THR  16          HG22      THR  16   0.800   0.085   5.381
  142   2HG2  THR  16          HG21      THR  16   0.195   1.655   5.897
  143   3HG2  THR  16          HG23      THR  16   1.888   1.238   6.144
  144    H    THR  17           HN       THR  17  -2.312  -0.584   8.444
  145    HA   THR  17           HA       THR  17  -3.849  -1.018   5.915
  146    HB   THR  17           HB       THR  17  -5.701  -1.690   7.252
  147    HG1  THR  17           HG1      THR  17  -6.007  -0.286   8.816
  148   1HG2  THR  17          HG22      THR  17  -3.296  -2.950   7.779
  149   2HG2  THR  17          HG21      THR  17  -3.778  -2.419   9.385
  150   3HG2  THR  17          HG23      THR  17  -4.840  -3.464   8.448
  151    H    THR  18           HN       THR  18  -5.034   0.602   5.049
  152    HA   THR  18           HA       THR  18  -5.269   3.152   6.607
  153    HB   THR  18           HB       THR  18  -3.523   3.092   4.624
  154    HG1  THR  18           HG1      THR  18  -5.271   5.138   4.186
  155   1HG2  THR  18          HG23      THR  18  -5.519   2.169   3.095
  156   2HG2  THR  18          HG22      THR  18  -5.965   3.871   3.051
  157   3HG2  THR  18          HG21      THR  18  -4.389   3.358   2.455
  158    H    GLU  19           HN       GLU  19  -7.123   4.414   6.162
  159    HA   GLU  19           HA       GLU  19  -9.391   2.801   5.126
  160   1HB   GLU  19           HB2      GLU  19  -9.789   5.503   6.327
  161   2HB   GLU  19           HB1      GLU  19 -10.770   4.052   6.491
  162   1HG   GLU  19           HG2      GLU  19  -9.752   4.146   8.594
  163   2HG   GLU  19           HG1      GLU  19  -8.628   3.107   7.723
  164    H    ALA  20           HN       ALA  20 -10.209   3.170   3.167
  165    HA   ALA  20           HA       ALA  20  -9.958   5.890   1.981
  166   1HB   ALA  20           HB1      ALA  20  -8.556   3.501   1.104
  167   2HB   ALA  20           HB3      ALA  20  -9.589   4.140  -0.171
  168   3HB   ALA  20           HB2      ALA  20  -8.362   5.166   0.564
  169    H    VAL  21           HN       VAL  21 -11.552   6.384   0.442
  170    HA   VAL  21           HA       VAL  21 -14.028   4.850   0.770
  171    HB   VAL  21           HB       VAL  21 -14.046   7.329   0.741
  172   1HG1  VAL  21          HG12      VAL  21 -12.167   7.480  -0.962
  173   2HG1  VAL  21          HG11      VAL  21 -13.346   7.047  -2.197
  174   3HG1  VAL  21          HG13      VAL  21 -13.535   8.542  -1.286
  175   1HG2  VAL  21          HG23      VAL  21 -16.028   5.963  -0.024
  176   2HG2  VAL  21          HG22      VAL  21 -15.955   7.568  -0.747
  177   3HG2  VAL  21          HG21      VAL  21 -15.459   6.158  -1.678
  178    H    ASP  22           HN       ASP  22 -11.538   5.256  -1.622
  179    HA   ASP  22           HA       ASP  22 -12.807   3.119  -3.235
  180   1HB   ASP  22           HB2      ASP  22 -12.562   4.373  -5.323
  181   2HB   ASP  22           HB1      ASP  22 -13.579   5.276  -4.205
  182    H    ALA  23           HN       ALA  23 -11.284   2.315  -4.940
  183    HA   ALA  23           HA       ALA  23  -8.739   1.708  -3.780
  184   1HB   ALA  23           HB1      ALA  23 -10.066   1.224  -6.399
  185   2HB   ALA  23           HB3      ALA  23  -8.316   1.050  -6.341
  186   3HB   ALA  23           HB2      ALA  23  -9.332   0.076  -5.285
  187    H    ALA  24           HN       ALA  24  -9.801   4.341  -5.739
  188    HA   ALA  24           HA       ALA  24  -7.270   5.063  -6.895
  189   1HB   ALA  24           HB3      ALA  24  -9.837   5.978  -7.151
  190   2HB   ALA  24           HB2      ALA  24  -9.096   7.282  -6.232
  191   3HB   ALA  24           HB1      ALA  24  -8.423   6.808  -7.787
  192    H    THR  25           HN       THR  25  -8.986   6.734  -4.256
  193    HA   THR  25           HA       THR  25  -6.765   8.234  -3.363
  194    HB   THR  25           HB       THR  25  -8.944   8.841  -2.500
  195    HG1  THR  25           HG1      THR  25  -8.437   8.394  -0.173
  196   1HG2  THR  25          HG23      THR  25  -9.016   5.932  -1.772
  197   2HG2  THR  25          HG22      THR  25  -9.797   7.062  -0.674
  198   3HG2  THR  25          HG21      THR  25 -10.326   6.957  -2.350
  199    H    ALA  26           HN       ALA  26  -7.465   4.885  -2.990
  200    HA   ALA  26           HA       ALA  26  -5.836   4.437  -0.636
  201   1HB   ALA  26           HB3      ALA  26  -7.623   2.871  -1.493
  202   2HB   ALA  26           HB2      ALA  26  -6.521   2.432  -2.793
  203   3HB   ALA  26           HB1      ALA  26  -6.088   2.093  -1.120
  204    H    GLU  27           HN       GLU  27  -5.271   4.290  -4.116
  205    HA   GLU  27           HA       GLU  27  -2.625   3.226  -4.014
  206   1HB   GLU  27           HB2      GLU  27  -4.064   4.970  -6.018
  207   2HB   GLU  27           HB1      GLU  27  -2.418   4.414  -6.274
  208   1HG   GLU  27           HG2      GLU  27  -3.233   2.049  -5.934
  209   2HG   GLU  27           HG1      GLU  27  -4.874   2.683  -5.884
  210    H    LYS  28           HN       LYS  28  -3.858   6.528  -3.864
  211    HA   LYS  28           HA       LYS  28  -1.154   7.658  -3.770
  212   1HB   LYS  28           HB2      LYS  28  -2.295   9.435  -4.559
  213   2HB   LYS  28           HB1      LYS  28  -3.823   8.631  -4.245
  214   1HG   LYS  28           HG2      LYS  28  -3.811   9.462  -1.918
  215   2HG   LYS  28           HG1      LYS  28  -2.240  10.223  -2.184
  216   1HD   LYS  28           HD2      LYS  28  -3.179  11.995  -3.226
  217   2HD   LYS  28           HD1      LYS  28  -4.179  10.963  -4.239
  218   1HE   LYS  28           HE2      LYS  28  -4.793  11.533  -1.325
  219   2HE   LYS  28           HE1      LYS  28  -5.474  12.461  -2.655
  220   1HZ   LYS  28           HZ1      LYS  28  -6.220  10.213  -3.545
  221   2HZ   LYS  28           HZ3      LYS  28  -5.902   9.621  -1.985
  222   3HZ   LYS  28           HZ2      LYS  28  -7.055  10.848  -2.209
  223    H    VAL  29           HN       VAL  29  -3.809   7.098  -1.503
  224    HA   VAL  29           HA       VAL  29  -2.722   8.396   0.760
  225    HB   VAL  29           HB       VAL  29  -4.464   5.948   0.496
  226   1HG1  VAL  29          HG13      VAL  29  -3.297   7.269   2.938
  227   2HG1  VAL  29          HG12      VAL  29  -4.886   6.514   3.020
  228   3HG1  VAL  29          HG11      VAL  29  -3.474   5.551   2.594
  229   1HG2  VAL  29          HG21      VAL  29  -5.039   8.563   0.072
  230   2HG2  VAL  29          HG23      VAL  29  -6.215   7.423   0.721
  231   3HG2  VAL  29          HG22      VAL  29  -5.317   8.478   1.809
  232    H    PHE  30           HN       PHE  30  -2.457   4.937  -0.069
  233    HA   PHE  30           HA       PHE  30  -0.550   4.328   1.958
  234   1HB   PHE  30           HB2      PHE  30  -1.401   3.034  -0.602
  235   2HB   PHE  30           HB1      PHE  30   0.085   2.472   0.148
  236    HD1  PHE  30           HD1      PHE  30  -0.225   2.259   2.901
  237    HD2  PHE  30           HD2      PHE  30  -3.297   1.800  -0.022
  238    HE1  PHE  30           HE1      PHE  30  -1.554   0.939   4.493
  239    HE2  PHE  30           HE2      PHE  30  -4.598   0.472   1.571
  240    HZ   PHE  30           HZ       PHE  30  -3.727   0.011   3.816
  241    H    LYS  31           HN       LYS  31  -0.113   5.234  -1.447
  242    HA   LYS  31           HA       LYS  31   2.707   5.059  -1.546
  243   1HB   LYS  31           HB2      LYS  31   1.249   5.497  -3.516
  244   2HB   LYS  31           HB1      LYS  31   0.967   7.129  -2.915
  245   1HG   LYS  31           HG2      LYS  31   3.273   7.724  -3.177
  246   2HG   LYS  31           HG1      LYS  31   3.753   6.045  -3.403
  247   1HD   LYS  31           HD2      LYS  31   3.663   7.291  -5.562
  248   2HD   LYS  31           HD1      LYS  31   2.524   5.950  -5.526
  249   1HE   LYS  31           HE2      LYS  31   1.669   8.262  -6.371
  250   2HE   LYS  31           HE1      LYS  31   0.666   7.376  -5.230
  251   1HZ   LYS  31           HZ3      LYS  31   2.651   9.166  -4.088
  252   2HZ   LYS  31           HZ2      LYS  31   1.350   9.901  -4.893
  253   3HZ   LYS  31           HZ1      LYS  31   1.058   8.846  -3.594
  254    H    GLN  32           HN       GLN  32   0.611   7.513  -0.198
  255    HA   GLN  32           HA       GLN  32   2.608   9.529   0.215
  256   1HB   GLN  32           HB2      GLN  32   0.054   9.750   0.430
  257   2HB   GLN  32           HB1      GLN  32   0.244   9.051   2.034
  258   1HG   GLN  32           HG2      GLN  32   0.404  11.349   2.489
  259   2HG   GLN  32           HG1      GLN  32   2.100  10.898   2.319
  260   1HE2  GLN  32          HE22      GLN  32   2.543  12.653  -0.748
  261   2HE2  GLN  32          HE21      GLN  32   3.175  11.441   0.259
  262    OH   TYR  33           OH       TYR  33   4.948   2.994   8.511
  263    H    TYR  33           HN       TYR  33   1.649   6.674   1.974
  264    HA   TYR  33           HA       TYR  33   3.179   7.274   4.365
  265   1HB   TYR  33           HB2      TYR  33   1.279   5.700   4.405
  266   2HB   TYR  33           HB1      TYR  33   2.148   4.627   3.313
  267    HD1  TYR  33           HD1      TYR  33   4.287   3.564   4.070
  268    HD2  TYR  33           HD2      TYR  33   1.821   5.756   6.751
  269    HE1  TYR  33           HE1      TYR  33   5.448   2.545   5.968
  270    HE2  TYR  33           HE2      TYR  33   2.982   4.735   8.655
  271    HH   TYR  33           HH       TYR  33   5.399   3.691   8.992
  272    H    ALA  34           HN       ALA  34   3.649   4.826   1.836
  273    HA   ALA  34           HA       ALA  34   6.198   3.943   2.458
  274   1HB   ALA  34           HB2      ALA  34   4.530   3.949   0.138
  275   2HB   ALA  34           HB1      ALA  34   6.166   4.362  -0.365
  276   3HB   ALA  34           HB3      ALA  34   5.865   2.866   0.512
  277    H    ASN  35           HN       ASN  35   5.325   6.922   0.774
  278    HA   ASN  35           HA       ASN  35   7.889   7.806   0.007
  279   1HB   ASN  35           HB2      ASN  35   5.677   8.915  -0.525
  280   2HB   ASN  35           HB1      ASN  35   5.708   9.597   1.099
  281   1HD2  ASN  35          HD22      ASN  35   8.845  10.761  -1.292
  282   2HD2  ASN  35          HD21      ASN  35   8.411   9.122  -1.227
  283    H    ASP  36           HN       ASP  36   6.272   8.009   3.126
  284    HA   ASP  36           HA       ASP  36   8.333   9.624   4.370
  285   1HB   ASP  36           HB2      ASP  36   6.179   7.861   5.566
  286   2HB   ASP  36           HB1      ASP  36   7.201   8.954   6.496
  287    H    ASN  37           HN       ASN  37   8.884   6.892   3.005
  288    HA   ASN  37           HA       ASN  37  10.725   5.934   5.143
  289   1HB   ASN  37           HB2      ASN  37   8.763   4.287   3.553
  290   2HB   ASN  37           HB1      ASN  37  10.198   3.564   4.274
  291   1HD2  ASN  37          HD22      ASN  37   7.251   5.019   6.748
  292   2HD2  ASN  37          HD21      ASN  37   7.382   5.621   5.166
  293    H    GLY  38           HN       GLY  38   9.830   5.590   1.726
  294   1HA   GLY  38           HA2      GLY  38  11.653   6.378   0.121
  295   2HA   GLY  38           HA1      GLY  38  12.751   5.389   1.074
  296    H    VAL  39           HN       VAL  39   9.515   4.294   0.470
  297    HA   VAL  39           HA       VAL  39  10.623   2.163  -1.314
  298    HB   VAL  39           HB       VAL  39   8.104   2.196   0.368
  299   1HG1  VAL  39          HG11      VAL  39   9.182   0.355  -1.722
  300   2HG1  VAL  39          HG13      VAL  39   8.460  -0.385  -0.297
  301   3HG1  VAL  39          HG12      VAL  39   7.510   0.707  -1.299
  302   1HG2  VAL  39          HG22      VAL  39  10.488   1.983   1.429
  303   2HG2  VAL  39          HG21      VAL  39   9.254   0.813   1.886
  304   3HG2  VAL  39          HG23      VAL  39  10.485   0.379   0.703
  305    H    ASP  40           HN       ASP  40  10.316   2.694  -3.398
  306    HA   ASP  40           HA       ASP  40   7.570   3.252  -4.311
  307   1HB   ASP  40           HB2      ASP  40   9.845   5.196  -4.786
  308   2HB   ASP  40           HB1      ASP  40   8.275   5.279  -5.581
  309    H    GLY  41           HN       GLY  41   7.246   2.048  -6.073
  310   1HA   GLY  41           HA2      GLY  41   9.028   1.974  -8.314
  311   2HA   GLY  41           HA1      GLY  41   9.259   0.519  -7.349
  312    H    GLU  42           HN       GLU  42   7.701  -1.063  -7.361
  313    HA   GLU  42           HA       GLU  42   5.558  -0.736  -9.414
  314   1HB   GLU  42           HB2      GLU  42   6.255  -3.348  -8.147
  315   2HB   GLU  42           HB1      GLU  42   5.675  -3.028  -9.775
  316   1HG   GLU  42           HG2      GLU  42   7.890  -1.858 -10.222
  317   2HG   GLU  42           HG1      GLU  42   8.448  -2.477  -8.670
  318    CH2  TRP  43           CH2      TRP  43   2.181   2.454  -2.148
  319    H    TRP  43           HN       TRP  43   3.445  -0.839  -8.855
  320    HA   TRP  43           HA       TRP  43   2.815  -1.446  -5.988
  321   1HB   TRP  43           HB2      TRP  43   1.782   0.650  -7.866
  322   2HB   TRP  43           HB1      TRP  43   0.816   0.132  -6.495
  323    HD1  TRP  43           HD1      TRP  43   4.396   1.379  -7.251
  324    HE1  TRP  43           HE1      TRP  43   5.117   2.738  -5.226
  325    HE3  TRP  43           HE3      TRP  43   0.449   0.582  -4.331
  326    HZ2  TRP  43           HZ2      TRP  43   4.083   3.344  -2.514
  327    HZ3  TRP  43           HZ3      TRP  43   0.296   1.461  -2.056
  328    HH2  TRP  43           HH2      TRP  43   2.111   2.836  -1.141
  329    H    THR  44           HN       THR  44   1.255  -2.880  -5.562
  330    HA   THR  44           HA       THR  44  -0.330  -3.947  -7.872
  331    HB   THR  44           HB       THR  44  -0.269  -6.144  -6.435
  332    HG1  THR  44           HG1      THR  44   2.138  -5.483  -5.491
  333   1HG2  THR  44          HG23      THR  44   2.114  -4.943  -7.872
  334   2HG2  THR  44          HG22      THR  44   2.195  -6.553  -7.164
  335   3HG2  THR  44          HG21      THR  44   1.037  -6.212  -8.448
  336    OH   TYR  45           OH       TYR  45  -8.848  -1.236  -3.243
  337    H    TYR  45           HN       TYR  45  -2.343  -5.071  -7.159
  338    HA   TYR  45           HA       TYR  45  -3.515  -3.971  -4.652
  339   1HB   TYR  45           HB2      TYR  45  -3.968  -2.509  -6.738
  340   2HB   TYR  45           HB1      TYR  45  -4.991  -3.835  -7.294
  341    HD1  TYR  45           HD1      TYR  45  -6.586  -4.704  -5.025
  342    HD2  TYR  45           HD2      TYR  45  -5.227  -0.774  -5.897
  343    HE1  TYR  45           HE1      TYR  45  -8.361  -3.782  -3.636
  344    HE2  TYR  45           HE2      TYR  45  -7.052   0.146  -4.560
  345    HH   TYR  45           HH       TYR  45  -8.535  -1.160  -2.339
  346    H    ASP  46           HN       ASP  46  -4.586  -5.537  -3.602
  347    HA   ASP  46           HA       ASP  46  -5.404  -7.976  -5.136
  348   1HB   ASP  46           HB2      ASP  46  -3.657  -8.075  -3.198
  349   2HB   ASP  46           HB1      ASP  46  -5.060  -7.903  -2.147
  350    H    ASP  47           HN       ASP  47  -7.395  -6.824  -5.702
  351    HA   ASP  47           HA       ASP  47  -9.248  -5.948  -3.668
  352   1HB   ASP  47           HB2      ASP  47  -9.305  -5.198  -6.057
  353   2HB   ASP  47           HB1      ASP  47  -9.868  -6.807  -6.505
  354    H    ALA  48           HN       ALA  48  -8.261  -9.014  -4.594
  355    HA   ALA  48           HA       ALA  48 -10.758 -10.441  -4.332
  356   1HB   ALA  48           HB3      ALA  48  -7.978 -11.083  -4.778
  357   2HB   ALA  48           HB2      ALA  48  -8.660 -12.163  -3.566
  358   3HB   ALA  48           HB1      ALA  48  -9.408 -12.040  -5.156
  359    H    THR  49           HN       THR  49  -8.141  -9.644  -2.089
  360    HA   THR  49           HA       THR  49  -9.921 -10.495   0.170
  361    HB   THR  49           HB       THR  49  -7.758 -10.969   1.428
  362    HG1  THR  49           HG1      THR  49  -5.929 -10.632   0.323
  363   1HG2  THR  49          HG23      THR  49  -8.990 -12.768   0.012
  364   2HG2  THR  49          HG22      THR  49  -7.787 -12.431  -1.230
  365   3HG2  THR  49          HG21      THR  49  -7.284 -13.057   0.337
  366    H    LYS  50           HN       LYS  50  -9.103  -7.844  -1.324
  367    HA   LYS  50           HA       LYS  50  -8.852  -5.597  -0.689
  368   1HB   LYS  50           HB2      LYS  50  -9.678  -6.493   2.074
  369   2HB   LYS  50           HB1      LYS  50  -9.944  -4.926   1.320
  370   1HG   LYS  50           HG2      LYS  50 -11.414  -6.020  -0.373
  371   2HG   LYS  50           HG1      LYS  50 -11.190  -7.558   0.454
  372   1HD   LYS  50           HD2      LYS  50 -13.064  -6.927   1.606
  373   2HD   LYS  50           HD1      LYS  50 -11.928  -5.966   2.546
  374   1HE   LYS  50           HE2      LYS  50 -13.573  -5.040   0.171
  375   2HE   LYS  50           HE1      LYS  50 -13.728  -4.502   1.839
  376   1HZ   LYS  50           HZ3      LYS  50 -11.349  -3.741   1.622
  377   2HZ   LYS  50           HZ2      LYS  50 -11.520  -3.972  -0.051
  378   3HZ   LYS  50           HZ1      LYS  50 -12.510  -2.853   0.758
  379    H    THR  51           HN       THR  51  -6.505  -6.489  -0.913
  380    HA   THR  51           HA       THR  51  -5.037  -5.579   1.516
  381    HB   THR  51           HB       THR  51  -4.754  -8.279   0.151
  382    HG1  THR  51           HG1      THR  51  -4.914  -8.834   2.347
  383   1HG2  THR  51          HG21      THR  51  -2.755  -6.907   1.994
  384   2HG2  THR  51          HG23      THR  51  -2.703  -8.598   1.523
  385   3HG2  THR  51          HG22      THR  51  -2.438  -7.343   0.320
  386    H    PHE  52           HN       PHE  52  -3.738  -3.946   0.822
  387    HA   PHE  52           HA       PHE  52  -3.023  -3.715  -2.000
  388   1HB   PHE  52           HB2      PHE  52  -3.072  -2.005   0.315
  389   2HB   PHE  52           HB1      PHE  52  -1.523  -1.882  -0.507
  390    HD1  PHE  52           HD1      PHE  52  -1.446  -1.218  -2.932
  391    HD2  PHE  52           HD2      PHE  52  -5.081  -1.276  -0.756
  392    HE1  PHE  52           HE1      PHE  52  -2.543   0.101  -4.701
  393    HE2  PHE  52           HE2      PHE  52  -6.128   0.155  -2.425
  394    HZ   PHE  52           HZ       PHE  52  -4.846   0.890  -4.381
  395    H    THR  53           HN       THR  53  -0.718  -3.437  -2.658
  396    HA   THR  53           HA       THR  53   1.329  -4.484  -0.854
  397    HB   THR  53           HB       THR  53   0.481  -6.115  -3.277
  398    HG1  THR  53           HG1      THR  53  -0.299  -7.424  -1.715
  399   1HG2  THR  53          HG23      THR  53   3.006  -5.935  -1.882
  400   2HG2  THR  53          HG22      THR  53   2.238  -7.464  -1.470
  401   3HG2  THR  53          HG21      THR  53   2.555  -7.066  -3.154
  402    H    VAL  54           HN       VAL  54   3.341  -3.828  -1.459
  403    HA   VAL  54           HA       VAL  54   3.726  -2.821  -4.237
  404    HB   VAL  54           HB       VAL  54   3.060  -0.902  -2.737
  405   1HG1  VAL  54          HG12      VAL  54   4.207  -1.932  -0.728
  406   2HG1  VAL  54          HG11      VAL  54   5.736  -1.400  -1.417
  407   3HG1  VAL  54          HG13      VAL  54   4.513  -0.218  -0.963
  408   1HG2  VAL  54          HG23      VAL  54   5.857  -0.961  -3.905
  409   2HG2  VAL  54          HG22      VAL  54   4.394  -0.346  -4.655
  410   3HG2  VAL  54          HG21      VAL  54   5.109   0.506  -3.298
  411    H    THR  55           HN       THR  55   5.904  -2.853  -4.894
  412    HA   THR  55           HA       THR  55   7.890  -3.975  -2.986
  413    HB   THR  55           HB       THR  55   7.246  -5.287  -5.664
  414    HG1  THR  55           HG1      THR  55   5.876  -6.302  -4.416
  415   1HG2  THR  55          HG22      THR  55   9.456  -5.534  -3.691
  416   2HG2  THR  55          HG21      THR  55   8.673  -7.053  -4.120
  417   3HG2  THR  55          HG23      THR  55   9.403  -6.054  -5.369
  418    H    GLU  56           HN       GLU  56   9.514  -2.515  -3.129
  419    HA   GLU  56           HA       GLU  56   9.979  -0.778  -5.337
  420   1HB   GLU  56           HB2      GLU  56  11.042  -1.075  -2.798
  421   2HB   GLU  56           HB1      GLU  56  12.401  -1.467  -3.839
  422   1HG   GLU  56           HG2      GLU  56  10.691   1.037  -4.046
  423   2HG   GLU  56           HG1      GLU  56  12.316   0.963  -3.371
   
  Start of MODEL          41
 Raw file had 423 H/Q atoms
  Entry Start of MODEL   41
    1   1H    MET   1           HT2      MET   1 -13.725  -0.651   5.747
    2   2H    MET   1           HT1      MET   1 -15.178  -0.736   4.870
    3   3H    MET   1           HT3      MET   1 -13.941  -1.861   4.575
    4    HA   MET   1           HA       MET   1 -13.633  -0.455   2.823
    5   1HB   MET   1           HB2      MET   1 -13.774   2.077   3.168
    6   2HB   MET   1           HB1      MET   1 -15.295   1.197   3.254
    7   1HG   MET   1           HG2      MET   1 -13.885   1.322   5.812
    8   2HG   MET   1           HG1      MET   1 -14.269   2.903   5.188
    9   1HE   MET   1           HE1      MET   1 -15.152   2.728   7.745
   10   2HE   MET   1           HE3      MET   1 -15.905   3.942   6.711
   11   3HE   MET   1           HE2      MET   1 -16.899   2.961   7.787
   12    H    THR   2           HN       THR   2 -11.765  -1.626   4.398
   13    HA   THR   2           HA       THR   2  -9.586   0.403   4.345
   14    HB   THR   2           HB       THR   2  -9.921  -1.553   6.653
   15    HG1  THR   2           HG1      THR   2 -11.499  -0.096   6.946
   16   1HG2  THR   2          HG21      THR   2  -7.658  -0.240   5.876
   17   2HG2  THR   2          HG23      THR   2  -8.436   1.024   6.820
   18   3HG2  THR   2          HG22      THR   2  -8.056  -0.523   7.567
   19    OH   TYR   3           OH       TYR   3 -11.581   0.326  -1.006
   20    H    TYR   3           HN       TYR   3  -7.838  -0.338   3.313
   21    HA   TYR   3           HA       TYR   3  -7.698  -3.270   2.744
   22   1HB   TYR   3           HB2      TYR   3  -6.103  -1.166   1.316
   23   2HB   TYR   3           HB1      TYR   3  -6.577  -2.757   0.746
   24    HD1  TYR   3           HD1      TYR   3  -7.951   0.580   1.688
   25    HD2  TYR   3           HD2      TYR   3  -8.625  -3.049  -0.421
   26    HE1  TYR   3           HE1      TYR   3  -9.974   1.538   0.683
   27    HE2  TYR   3           HE2      TYR   3 -10.643  -2.091  -1.429
   28    HH   TYR   3           HH       TYR   3 -11.650  -0.003  -1.905
   29    H    LYS   4           HN       LYS   4  -5.615  -4.296   2.794
   30    HA   LYS   4           HA       LYS   4  -3.840  -3.104   4.879
   31   1HB   LYS   4           HB2      LYS   4  -5.014  -5.509   4.941
   32   2HB   LYS   4           HB1      LYS   4  -3.600  -5.955   4.002
   33   1HG   LYS   4           HG2      LYS   4  -2.395  -4.517   5.967
   34   2HG   LYS   4           HG1      LYS   4  -3.785  -5.135   6.852
   35   1HD   LYS   4           HD2      LYS   4  -3.221  -7.435   6.061
   36   2HD   LYS   4           HD1      LYS   4  -1.789  -6.787   5.271
   37   1HE   LYS   4           HE2      LYS   4  -0.654  -6.888   7.217
   38   2HE   LYS   4           HE1      LYS   4  -1.835  -5.823   7.970
   39   1HZ   LYS   4           HZ1      LYS   4  -3.033  -8.306   7.774
   40   2HZ   LYS   4           HZ3      LYS   4  -1.457  -8.592   8.340
   41   3HZ   LYS   4           HZ2      LYS   4  -2.482  -7.531   9.180
   42    H    LEU   5           HN       LEU   5  -1.967  -2.273   4.173
   43    HA   LEU   5           HA       LEU   5  -1.012  -2.963   1.473
   44   1HB   LEU   5           HB2      LEU   5  -0.920  -0.625   2.005
   45   2HB   LEU   5           HB1      LEU   5  -0.160  -0.930   3.558
   46    HG   LEU   5           HG       LEU   5   1.896  -1.776   2.282
   47   1HD1  LEU   5          HD12      LEU   5   0.401  -0.557  -0.061
   48   2HD1  LEU   5          HD11      LEU   5   2.057  -1.141  -0.096
   49   3HD1  LEU   5          HD13      LEU   5   0.735  -2.274   0.137
   50   1HD2  LEU   5          HD21      LEU   5   1.527   0.612   3.164
   51   2HD2  LEU   5          HD23      LEU   5   2.751   0.402   1.918
   52   3HD2  LEU   5          HD22      LEU   5   1.170   1.038   1.496
   53    H    ILE   6           HN       ILE   6   1.074  -3.792   1.053
   54    HA   ILE   6           HA       ILE   6   2.503  -5.022   3.332
   55    HB   ILE   6           HB       ILE   6   2.128  -6.343   0.640
   56   1HG1  ILE   6          HG12      ILE   6   0.622  -6.651   3.252
   57   2HG1  ILE   6          HG11      ILE   6  -0.047  -6.287   1.667
   58   1HG2  ILE   6          HG21      ILE   6   4.144  -6.879   2.172
   59   2HG2  ILE   6          HG23      ILE   6   2.963  -7.589   3.265
   60   3HG2  ILE   6          HG22      ILE   6   3.162  -8.239   1.641
   61   1HD1  ILE   6           HD3      ILE   6   0.954  -8.559   0.929
   62   2HD1  ILE   6           HD2      ILE   6   1.119  -8.898   2.649
   63   3HD1  ILE   6           HD1      ILE   6  -0.471  -8.605   1.959
   64    H    LEU   7           HN       LEU   7   4.256  -3.715   3.400
   65    HA   LEU   7           HA       LEU   7   5.498  -2.697   0.967
   66   1HB   LEU   7           HB2      LEU   7   6.348  -2.534   3.855
   67   2HB   LEU   7           HB1      LEU   7   7.142  -1.689   2.534
   68    HG   LEU   7           HG       LEU   7   4.240  -1.304   2.515
   69   1HD1  LEU   7          HD12      LEU   7   5.855  -0.479   4.947
   70   2HD1  LEU   7          HD11      LEU   7   4.314   0.257   4.517
   71   3HD1  LEU   7          HD13      LEU   7   4.390  -1.455   4.925
   72   1HD2  LEU   7          HD23      LEU   7   6.615   0.585   2.702
   73   2HD2  LEU   7          HD22      LEU   7   5.858   0.038   1.210
   74   3HD2  LEU   7          HD21      LEU   7   4.963   1.064   2.326
   75    H    ASN   8           HN       ASN   8   6.721  -3.949  -0.276
   76    HA   ASN   8           HA       ASN   8   8.411  -6.031   1.033
   77   1HB   ASN   8           HB2      ASN   8   6.904  -5.852  -1.461
   78   2HB   ASN   8           HB1      ASN   8   8.555  -6.365  -1.742
   79   1HD2  ASN   8          HD22      ASN   8   6.012  -9.053  -0.495
   80   2HD2  ASN   8          HD21      ASN   8   5.643  -7.650  -1.365
   81    H    GLY   9           HN       GLY   9   9.209  -3.371   1.290
   82   1HA   GLY   9           HA2      GLY   9  10.920  -2.335  -0.691
   83   2HA   GLY   9           HA1      GLY   9  11.150  -2.065   1.031
   84    H    LYS  10           HN       LYS  10  13.071  -2.601  -1.179
   85    HA   LYS  10           HA       LYS  10  14.138  -5.256  -0.875
   86   1HB   LYS  10           HB2      LYS  10  14.679  -3.005  -2.468
   87   2HB   LYS  10           HB1      LYS  10  16.158  -3.296  -1.558
   88   1HG   LYS  10           HG2      LYS  10  15.992  -5.731  -2.227
   89   2HG   LYS  10           HG1      LYS  10  14.658  -5.289  -3.287
   90   1HD   LYS  10           HD2      LYS  10  17.474  -4.156  -3.419
   91   2HD   LYS  10           HD1      LYS  10  16.790  -5.330  -4.536
   92   1HE   LYS  10           HE2      LYS  10  16.380  -3.361  -5.705
   93   2HE   LYS  10           HE1      LYS  10  14.886  -3.496  -4.787
   94   1HZ   LYS  10           HZ3      LYS  10  16.442  -2.187  -3.061
   95   2HZ   LYS  10           HZ2      LYS  10  17.047  -1.594  -4.532
   96   3HZ   LYS  10           HZ1      LYS  10  15.398  -1.428  -4.164
   97    H    THR  11           HN       THR  11  14.848  -2.156   0.641
   98    HA   THR  11           HA       THR  11  16.794  -3.492   2.446
   99    HB   THR  11           HB       THR  11  17.012  -0.902   3.148
  100    HG1  THR  11           HG1      THR  11  15.501  -0.001   1.904
  101   1HG2  THR  11          HG23      THR  11  18.107  -2.406   0.790
  102   2HG2  THR  11          HG22      THR  11  18.384  -0.668   0.856
  103   3HG2  THR  11          HG21      THR  11  18.978  -1.705   2.150
  104    H    LEU  12           HN       LEU  12  13.560  -2.963   2.376
  105    HA   LEU  12           HA       LEU  12  13.352  -3.262   5.282
  106   1HB   LEU  12           HB2      LEU  12  13.623  -0.739   4.763
  107   2HB   LEU  12           HB1      LEU  12  11.983  -0.839   4.136
  108    HG   LEU  12           HG       LEU  12  11.687  -2.157   6.510
  109   1HD1  LEU  12          HD11      LEU  12  14.061  -1.645   7.112
  110   2HD1  LEU  12          HD13      LEU  12  13.695   0.072   6.991
  111   3HD1  LEU  12          HD12      LEU  12  12.917  -0.908   8.228
  112   1HD2  LEU  12          HD21      LEU  12  11.467   0.787   5.834
  113   2HD2  LEU  12          HD23      LEU  12  10.182  -0.417   5.848
  114   3HD2  LEU  12          HD22      LEU  12  10.890   0.133   7.364
  115    H    LYS  13           HN       LYS  13  11.283  -3.894   5.972
  116    HA   LYS  13           HA       LYS  13   9.221  -4.261   3.849
  117   1HB   LYS  13           HB2      LYS  13   9.972  -6.431   5.818
  118   2HB   LYS  13           HB1      LYS  13   8.845  -6.558   4.479
  119   1HG   LYS  13           HG2      LYS  13  10.687  -7.446   3.421
  120   2HG   LYS  13           HG1      LYS  13  11.016  -5.751   3.104
  121   1HD   LYS  13           HD2      LYS  13  13.051  -6.366   4.030
  122   2HD   LYS  13           HD1      LYS  13  12.203  -5.905   5.500
  123   1HE   LYS  13           HE2      LYS  13  12.787  -8.658   4.438
  124   2HE   LYS  13           HE1      LYS  13  13.032  -8.026   6.060
  125   1HZ   LYS  13           HZ2      LYS  13  10.394  -8.560   4.814
  126   2HZ   LYS  13           HZ1      LYS  13  11.167  -9.560   5.947
  127   3HZ   LYS  13           HZ3      LYS  13  10.660  -8.002   6.395
  128    H    GLY  14           HN       GLY  14   7.139  -4.007   4.560
  129   1HA   GLY  14           HA2      GLY  14   6.516  -4.070   7.423
  130   2HA   GLY  14           HA1      GLY  14   6.467  -2.458   6.717
  131    H    GLU  15           HN       GLU  15   4.174  -2.720   7.476
  132    HA   GLU  15           HA       GLU  15   2.432  -3.151   5.249
  133   1HB   GLU  15           HB2      GLU  15   1.175  -5.106   6.104
  134   2HB   GLU  15           HB1      GLU  15   2.840  -5.533   5.734
  135   1HG   GLU  15           HG2      GLU  15   3.017  -4.690   8.365
  136   2HG   GLU  15           HG1      GLU  15   1.455  -5.503   8.329
  137    H    THR  16           HN       THR  16   0.674  -1.912   5.603
  138    HA   THR  16           HA       THR  16  -0.311  -1.555   8.377
  139    HB   THR  16           HB       THR  16   1.237   0.309   8.262
  140    HG1  THR  16           HG1      THR  16  -0.407   1.437   8.961
  141   1HG2  THR  16          HG23      THR  16   0.459   0.294   5.447
  142   2HG2  THR  16          HG22      THR  16   0.241   1.892   6.152
  143   3HG2  THR  16          HG21      THR  16   1.820   1.115   6.202
  144    H    THR  17           HN       THR  17  -2.435  -0.627   8.478
  145    HA   THR  17           HA       THR  17  -3.946  -0.988   5.920
  146    HB   THR  17           HB       THR  17  -5.791  -1.776   7.212
  147    HG1  THR  17           HG1      THR  17  -4.537  -0.056   8.998
  148   1HG2  THR  17          HG22      THR  17  -3.356  -3.001   7.679
  149   2HG2  THR  17          HG21      THR  17  -3.857  -2.570   9.310
  150   3HG2  THR  17          HG23      THR  17  -4.889  -3.590   8.313
  151    H    THR  18           HN       THR  18  -5.077   0.675   5.096
  152    HA   THR  18           HA       THR  18  -5.425   3.123   6.793
  153    HB   THR  18           HB       THR  18  -3.645   3.206   4.846
  154    HG1  THR  18           HG1      THR  18  -5.846   4.993   5.152
  155   1HG2  THR  18          HG23      THR  18  -5.594   2.314   3.236
  156   2HG2  THR  18          HG22      THR  18  -6.070   4.007   3.259
  157   3HG2  THR  18          HG21      THR  18  -4.474   3.550   2.675
  158    H    GLU  19           HN       GLU  19  -7.308   4.351   6.415
  159    HA   GLU  19           HA       GLU  19  -9.550   2.750   5.353
  160   1HB   GLU  19           HB2      GLU  19  -9.832   5.525   6.469
  161   2HB   GLU  19           HB1      GLU  19 -10.962   4.179   6.553
  162   1HG   GLU  19           HG2      GLU  19 -10.111   4.022   8.692
  163   2HG   GLU  19           HG1      GLU  19  -8.880   3.069   7.868
  164    H    ALA  20           HN       ALA  20 -10.254   2.981   3.332
  165    HA   ALA  20           HA       ALA  20 -10.055   5.650   2.027
  166   1HB   ALA  20           HB1      ALA  20  -8.535   3.274   1.324
  167   2HB   ALA  20           HB3      ALA  20  -9.527   3.822  -0.022
  168   3HB   ALA  20           HB2      ALA  20  -8.369   4.918   0.722
  169    H    VAL  21           HN       VAL  21 -11.748   6.124   0.689
  170    HA   VAL  21           HA       VAL  21 -14.036   4.274   0.786
  171    HB   VAL  21           HB       VAL  21 -14.218   6.782   1.142
  172   1HG1  VAL  21          HG13      VAL  21 -12.651   7.188  -0.886
  173   2HG1  VAL  21          HG12      VAL  21 -14.085   6.919  -1.873
  174   3HG1  VAL  21          HG11      VAL  21 -14.047   8.246  -0.717
  175   1HG2  VAL  21          HG23      VAL  21 -16.167   5.328   0.597
  176   2HG2  VAL  21          HG22      VAL  21 -16.337   6.936  -0.101
  177   3HG2  VAL  21          HG21      VAL  21 -15.856   5.581  -1.117
  178    H    ASP  22           HN       ASP  22 -11.531   5.129  -1.384
  179    HA   ASP  22           HA       ASP  22 -12.758   3.377  -3.448
  180   1HB   ASP  22           HB2      ASP  22 -12.161   4.982  -5.237
  181   2HB   ASP  22           HB1      ASP  22 -13.334   5.671  -4.119
  182    H    ALA  23           HN       ALA  23 -11.194   2.593  -5.016
  183    HA   ALA  23           HA       ALA  23  -8.709   1.838  -3.779
  184   1HB   ALA  23           HB1      ALA  23 -10.009   1.433  -6.424
  185   2HB   ALA  23           HB3      ALA  23  -8.262   1.217  -6.355
  186   3HB   ALA  23           HB2      ALA  23  -9.310   0.249  -5.324
  187    H    ALA  24           HN       ALA  24  -9.634   4.404  -5.960
  188    HA   ALA  24           HA       ALA  24  -7.041   5.121  -6.912
  189   1HB   ALA  24           HB3      ALA  24  -9.583   6.047  -7.339
  190   2HB   ALA  24           HB2      ALA  24  -8.882   7.364  -6.403
  191   3HB   ALA  24           HB1      ALA  24  -8.125   6.853  -7.909
  192    H    THR  25           HN       THR  25  -8.921   6.754  -4.365
  193    HA   THR  25           HA       THR  25  -6.815   8.349  -3.379
  194    HB   THR  25           HB       THR  25  -9.401   8.262  -2.726
  195    HG1  THR  25           HG1      THR  25  -7.271   8.810  -0.915
  196   1HG2  THR  25          HG23      THR  25  -8.901   5.984  -1.483
  197   2HG2  THR  25          HG22      THR  25  -8.136   7.019  -0.281
  198   3HG2  THR  25          HG21      THR  25  -9.848   7.211  -0.647
  199    H    ALA  26           HN       ALA  26  -7.446   4.965  -2.924
  200    HA   ALA  26           HA       ALA  26  -5.767   4.631  -0.585
  201   1HB   ALA  26           HB2      ALA  26  -7.509   2.983  -1.260
  202   2HB   ALA  26           HB1      ALA  26  -6.545   2.580  -2.678
  203   3HB   ALA  26           HB3      ALA  26  -5.926   2.237  -1.065
  204    H    GLU  27           HN       GLU  27  -5.265   4.360  -4.067
  205    HA   GLU  27           HA       GLU  27  -2.627   3.321  -4.027
  206   1HB   GLU  27           HB2      GLU  27  -4.093   5.101  -5.974
  207   2HB   GLU  27           HB1      GLU  27  -2.446   4.566  -6.268
  208   1HG   GLU  27           HG2      GLU  27  -3.217   2.192  -5.989
  209   2HG   GLU  27           HG1      GLU  27  -4.867   2.788  -5.845
  210    H    LYS  28           HN       LYS  28  -3.847   6.575  -3.590
  211    HA   LYS  28           HA       LYS  28  -1.122   7.712  -3.604
  212   1HB   LYS  28           HB2      LYS  28  -3.315   9.430  -2.653
  213   2HB   LYS  28           HB1      LYS  28  -2.118   9.725  -3.908
  214   1HG   LYS  28           HG2      LYS  28  -3.400   8.175  -5.421
  215   2HG   LYS  28           HG1      LYS  28  -4.632   8.035  -4.175
  216   1HD   LYS  28           HD2      LYS  28  -5.482  10.113  -4.589
  217   2HD   LYS  28           HD1      LYS  28  -3.898  10.820  -4.873
  218   1HE   LYS  28           HE2      LYS  28  -5.231   8.932  -6.830
  219   2HE   LYS  28           HE1      LYS  28  -5.404  10.680  -6.920
  220   1HZ   LYS  28           HZ3      LYS  28  -2.695   9.632  -6.706
  221   2HZ   LYS  28           HZ2      LYS  28  -3.502   9.375  -8.177
  222   3HZ   LYS  28           HZ1      LYS  28  -3.285  10.955  -7.594
  223    H    VAL  29           HN       VAL  29  -3.802   7.357  -1.296
  224    HA   VAL  29           HA       VAL  29  -2.610   8.493   0.968
  225    HB   VAL  29           HB       VAL  29  -4.467   6.130   0.686
  226   1HG1  VAL  29          HG11      VAL  29  -3.233   7.372   3.143
  227   2HG1  VAL  29          HG13      VAL  29  -4.844   6.666   3.219
  228   3HG1  VAL  29          HG12      VAL  29  -3.465   5.667   2.771
  229   1HG2  VAL  29          HG22      VAL  29  -5.121   8.578   0.148
  230   2HG2  VAL  29          HG21      VAL  29  -6.159   7.699   1.268
  231   3HG2  VAL  29          HG23      VAL  29  -4.985   8.859   1.881
  232    H    PHE  30           HN       PHE  30  -2.391   5.101  -0.087
  233    HA   PHE  30           HA       PHE  30  -0.548   4.351   1.983
  234   1HB   PHE  30           HB2      PHE  30  -1.487   3.139  -0.581
  235   2HB   PHE  30           HB1      PHE  30  -0.009   2.502   0.125
  236    HD1  PHE  30           HD1      PHE  30  -0.261   2.252   2.878
  237    HD2  PHE  30           HD2      PHE  30  -3.425   1.980   0.033
  238    HE1  PHE  30           HE1      PHE  30  -1.604   0.965   4.483
  239    HE2  PHE  30           HE2      PHE  30  -4.742   0.678   1.641
  240    HZ   PHE  30           HZ       PHE  30  -3.830   0.140   3.852
  241    H    LYS  31           HN       LYS  31  -0.039   5.209  -1.442
  242    HA   LYS  31           HA       LYS  31   2.751   4.934  -1.541
  243   1HB   LYS  31           HB2      LYS  31   1.257   5.571  -3.458
  244   2HB   LYS  31           HB1      LYS  31   1.208   7.205  -2.805
  245   1HG   LYS  31           HG2      LYS  31   3.934   6.594  -2.826
  246   2HG   LYS  31           HG1      LYS  31   3.346   5.845  -4.302
  247   1HD   LYS  31           HD2      LYS  31   2.766   8.730  -3.537
  248   2HD   LYS  31           HD1      LYS  31   4.083   8.242  -4.593
  249   1HE   LYS  31           HE2      LYS  31   1.196   7.484  -5.123
  250   2HE   LYS  31           HE1      LYS  31   1.942   8.930  -5.789
  251   1HZ   LYS  31           HZ2      LYS  31   3.616   7.535  -6.836
  252   2HZ   LYS  31           HZ1      LYS  31   2.871   6.144  -6.208
  253   3HZ   LYS  31           HZ3      LYS  31   2.052   7.106  -7.342
  254    H    GLN  32           HN       GLN  32   0.852   7.645  -0.298
  255    HA   GLN  32           HA       GLN  32   2.994   9.412   0.255
  256   1HB   GLN  32           HB2      GLN  32   0.712  10.173   0.503
  257   2HB   GLN  32           HB1      GLN  32   0.394   8.963   1.739
  258   1HG   GLN  32           HG2      GLN  32   1.593  10.108   3.364
  259   2HG   GLN  32           HG1      GLN  32   2.670  10.858   2.188
  260   1HE2  GLN  32          HE22      GLN  32   0.392  13.537   1.444
  261   2HE2  GLN  32          HE21      GLN  32   1.624  12.587   0.766
  262    OH   TYR  33           OH       TYR  33   4.782   2.715   8.570
  263    H    TYR  33           HN       TYR  33   1.743   6.652   2.041
  264    HA   TYR  33           HA       TYR  33   3.404   7.045   4.374
  265   1HB   TYR  33           HB2      TYR  33   1.359   5.637   4.401
  266   2HB   TYR  33           HB1      TYR  33   2.156   4.490   3.329
  267    HD1  TYR  33           HD1      TYR  33   4.260   3.334   4.119
  268    HD2  TYR  33           HD2      TYR  33   1.829   5.624   6.750
  269    HE1  TYR  33           HE1      TYR  33   5.326   2.257   6.039
  270    HE2  TYR  33           HE2      TYR  33   2.894   4.542   8.676
  271    HH   TYR  33           HH       TYR  33   4.620   1.770   8.505
  272    H    ALA  34           HN       ALA  34   3.611   4.522   1.873
  273    HA   ALA  34           HA       ALA  34   6.109   3.475   2.459
  274   1HB   ALA  34           HB3      ALA  34   4.365   3.422   0.240
  275   2HB   ALA  34           HB2      ALA  34   5.948   3.854  -0.397
  276   3HB   ALA  34           HB1      ALA  34   5.748   2.372   0.532
  277    H    ASN  35           HN       ASN  35   5.386   6.578   1.062
  278    HA   ASN  35           HA       ASN  35   7.954   7.221   0.006
  279   1HB   ASN  35           HB2      ASN  35   5.751   8.519  -0.245
  280   2HB   ASN  35           HB1      ASN  35   6.119   9.223   1.327
  281   1HD2  ASN  35          HD22      ASN  35   7.615  11.244  -1.548
  282   2HD2  ASN  35          HD21      ASN  35   6.066  10.580  -1.340
  283    H    ASP  36           HN       ASP  36   6.582   7.696   3.239
  284    HA   ASP  36           HA       ASP  36   8.695   9.120   4.430
  285   1HB   ASP  36           HB2      ASP  36   6.545   7.336   5.385
  286   2HB   ASP  36           HB1      ASP  36   7.924   7.485   6.470
  287    H    ASN  37           HN       ASN  37   8.689   5.953   3.192
  288    HA   ASN  37           HA       ASN  37  11.205   5.289   4.677
  289   1HB   ASN  37           HB2      ASN  37   9.242   3.462   3.268
  290   2HB   ASN  37           HB1      ASN  37  10.717   2.934   4.074
  291   1HD2  ASN  37          HD22      ASN  37   7.691   4.442   6.432
  292   2HD2  ASN  37          HD21      ASN  37   7.898   5.056   4.864
  293    H    GLY  38           HN       GLY  38   9.814   5.919   1.591
  294   1HA   GLY  38           HA2      GLY  38  11.090   6.486  -0.362
  295   2HA   GLY  38           HA1      GLY  38  12.498   5.717   0.366
  296    H    VAL  39           HN       VAL  39   9.199   4.576  -0.307
  297    HA   VAL  39           HA       VAL  39  10.391   2.338  -1.907
  298    HB   VAL  39           HB       VAL  39   8.034   2.295  -0.003
  299   1HG1  VAL  39          HG12      VAL  39   9.005   0.327  -2.084
  300   2HG1  VAL  39          HG11      VAL  39   8.105  -0.212  -0.669
  301   3HG1  VAL  39          HG13      VAL  39   7.365   0.907  -1.811
  302   1HG2  VAL  39          HG21      VAL  39  10.699   0.831  -0.054
  303   2HG2  VAL  39          HG23      VAL  39  10.250   2.114   1.064
  304   3HG2  VAL  39          HG22      VAL  39   9.421   0.562   1.127
  305    H    ASP  40           HN       ASP  40  10.031   3.236  -3.923
  306    HA   ASP  40           HA       ASP  40   7.189   3.320  -4.757
  307   1HB   ASP  40           HB2      ASP  40   9.133   5.605  -5.174
  308   2HB   ASP  40           HB1      ASP  40   7.556   5.483  -5.950
  309    H    GLY  41           HN       GLY  41   7.198   1.805  -6.302
  310   1HA   GLY  41           HA2      GLY  41   8.802   2.218  -8.704
  311   2HA   GLY  41           HA1      GLY  41   9.285   0.787  -7.796
  312    H    GLU  42           HN       GLU  42   7.456  -0.703  -7.208
  313    HA   GLU  42           HA       GLU  42   5.462  -0.832  -9.445
  314   1HB   GLU  42           HB2      GLU  42   7.067  -2.952  -8.062
  315   2HB   GLU  42           HB1      GLU  42   5.561  -3.362  -8.871
  316   1HG   GLU  42           HG2      GLU  42   7.496  -1.665 -10.389
  317   2HG   GLU  42           HG1      GLU  42   7.916  -3.363 -10.175
  318    CH2  TRP  43           CH2      TRP  43   2.204   2.406  -2.094
  319    H    TRP  43           HN       TRP  43   3.396  -0.797  -8.842
  320    HA   TRP  43           HA       TRP  43   2.753  -1.384  -5.976
  321   1HB   TRP  43           HB2      TRP  43   1.773   0.732  -7.861
  322   2HB   TRP  43           HB1      TRP  43   0.785   0.233  -6.498
  323    HD1  TRP  43           HD1      TRP  43   4.399   1.411  -7.224
  324    HE1  TRP  43           HE1      TRP  43   5.138   2.727  -5.177
  325    HE3  TRP  43           HE3      TRP  43   0.425   0.649  -4.329
  326    HZ2  TRP  43           HZ2      TRP  43   4.126   3.269  -2.439
  327    HZ3  TRP  43           HZ3      TRP  43   0.304   1.446  -2.026
  328    HH2  TRP  43           HH2      TRP  43   2.148   2.747  -1.072
  329    H    THR  44           HN       THR  44   1.202  -2.830  -5.566
  330    HA   THR  44           HA       THR  44  -0.423  -3.833  -7.879
  331    HB   THR  44           HB       THR  44  -0.340  -6.087  -6.588
  332    HG1  THR  44           HG1      THR  44   1.143  -6.120  -4.971
  333   1HG2  THR  44          HG22      THR  44   1.313  -5.224  -8.555
  334   2HG2  THR  44          HG21      THR  44   2.476  -5.286  -7.236
  335   3HG2  THR  44          HG23      THR  44   1.603  -6.739  -7.710
  336    OH   TYR  45           OH       TYR  45  -8.862  -1.202  -3.103
  337    H    TYR  45           HN       TYR  45  -2.426  -4.958  -7.187
  338    HA   TYR  45           HA       TYR  45  -3.579  -3.913  -4.640
  339   1HB   TYR  45           HB2      TYR  45  -4.073  -2.456  -6.733
  340   2HB   TYR  45           HB1      TYR  45  -5.106  -3.789  -7.251
  341    HD1  TYR  45           HD1      TYR  45  -6.623  -4.658  -4.940
  342    HD2  TYR  45           HD2      TYR  45  -5.322  -0.722  -5.867
  343    HE1  TYR  45           HE1      TYR  45  -8.368  -3.745  -3.507
  344    HE2  TYR  45           HE2      TYR  45  -7.115   0.192  -4.481
  345    HH   TYR  45           HH       TYR  45  -8.555  -1.204  -2.193
  346    H    ASP  46           HN       ASP  46  -4.603  -5.515  -3.590
  347    HA   ASP  46           HA       ASP  46  -5.356  -7.967  -5.133
  348   1HB   ASP  46           HB2      ASP  46  -3.677  -8.070  -3.179
  349   2HB   ASP  46           HB1      ASP  46  -5.071  -7.804  -2.137
  350    H    ASP  47           HN       ASP  47  -7.374  -6.969  -5.785
  351    HA   ASP  47           HA       ASP  47  -9.308  -6.098  -3.814
  352   1HB   ASP  47           HB2      ASP  47  -9.442  -5.296  -6.115
  353   2HB   ASP  47           HB1      ASP  47  -9.659  -6.943  -6.701
  354    H    ALA  48           HN       ALA  48  -8.095  -9.083  -4.403
  355    HA   ALA  48           HA       ALA  48 -10.593 -10.609  -4.235
  356   1HB   ALA  48           HB3      ALA  48  -7.941 -11.165  -4.997
  357   2HB   ALA  48           HB2      ALA  48  -8.234 -12.138  -3.560
  358   3HB   ALA  48           HB1      ALA  48  -9.291 -12.295  -4.959
  359    H    THR  49           HN       THR  49  -8.466  -9.088  -2.054
  360    HA   THR  49           HA       THR  49  -9.979 -10.230   0.215
  361    HB   THR  49           HB       THR  49  -7.715 -10.643   1.427
  362    HG1  THR  49           HG1      THR  49  -6.985  -9.568  -0.862
  363   1HG2  THR  49          HG21      THR  49  -9.177 -12.489   0.349
  364   2HG2  THR  49          HG23      THR  49  -8.125 -12.342  -1.056
  365   3HG2  THR  49          HG22      THR  49  -7.460 -12.853   0.492
  366    H    LYS  50           HN       LYS  50  -9.174  -7.597  -1.284
  367    HA   LYS  50           HA       LYS  50  -8.844  -5.357  -0.671
  368   1HB   LYS  50           HB2      LYS  50  -9.766  -6.295   2.054
  369   2HB   LYS  50           HB1      LYS  50  -9.869  -4.662   1.402
  370   1HG   LYS  50           HG2      LYS  50 -11.110  -6.342  -0.507
  371   2HG   LYS  50           HG1      LYS  50 -11.714  -6.872   1.054
  372   1HD   LYS  50           HD2      LYS  50 -11.714  -4.007   0.032
  373   2HD   LYS  50           HD1      LYS  50 -13.122  -5.056   0.125
  374   1HE   LYS  50           HE2      LYS  50 -11.742  -3.561   2.273
  375   2HE   LYS  50           HE1      LYS  50 -13.417  -4.082   2.170
  376   1HZ   LYS  50           HZ3      LYS  50 -12.505  -6.395   2.599
  377   2HZ   LYS  50           HZ2      LYS  50 -11.074  -5.621   3.082
  378   3HZ   LYS  50           HZ1      LYS  50 -12.526  -5.308   3.903
  379    H    THR  51           HN       THR  51  -6.527  -6.345  -0.873
  380    HA   THR  51           HA       THR  51  -5.032  -5.453   1.549
  381    HB   THR  51           HB       THR  51  -4.824  -8.156   0.181
  382    HG1  THR  51           HG1      THR  51  -5.686  -8.569   2.061
  383   1HG2  THR  51          HG21      THR  51  -2.766  -6.820   1.986
  384   2HG2  THR  51          HG23      THR  51  -2.768  -8.519   1.544
  385   3HG2  THR  51          HG22      THR  51  -2.486  -7.294   0.314
  386    H    PHE  52           HN       PHE  52  -3.749  -3.812   0.825
  387    HA   PHE  52           HA       PHE  52  -3.030  -3.629  -1.999
  388   1HB   PHE  52           HB2      PHE  52  -3.034  -1.883   0.302
  389   2HB   PHE  52           HB1      PHE  52  -1.504  -1.784  -0.559
  390    HD1  PHE  52           HD1      PHE  52  -1.487  -1.163  -3.004
  391    HD2  PHE  52           HD2      PHE  52  -5.060  -1.137  -0.730
  392    HE1  PHE  52           HE1      PHE  52  -2.613   0.149  -4.761
  393    HE2  PHE  52           HE2      PHE  52  -6.133   0.289  -2.387
  394    HZ   PHE  52           HZ       PHE  52  -4.901   0.965  -4.393
  395    H    THR  53           HN       THR  53  -0.728  -3.381  -2.656
  396    HA   THR  53           HA       THR  53   1.312  -4.418  -0.841
  397    HB   THR  53           HB       THR  53   0.442  -6.080  -3.234
  398    HG1  THR  53           HG1      THR  53   0.393  -6.289  -0.399
  399   1HG2  THR  53          HG23      THR  53   2.944  -5.940  -1.703
  400   2HG2  THR  53          HG22      THR  53   2.170  -7.514  -1.558
  401   3HG2  THR  53          HG21      THR  53   2.591  -6.883  -3.147
  402    H    VAL  54           HN       VAL  54   3.300  -3.712  -1.426
  403    HA   VAL  54           HA       VAL  54   3.674  -2.732  -4.222
  404    HB   VAL  54           HB       VAL  54   3.062  -0.817  -2.705
  405   1HG1  VAL  54          HG13      VAL  54   4.181  -1.887  -0.709
  406   2HG1  VAL  54          HG12      VAL  54   5.724  -1.394  -1.392
  407   3HG1  VAL  54          HG11      VAL  54   4.536  -0.181  -0.928
  408   1HG2  VAL  54          HG22      VAL  54   5.857  -0.912  -3.873
  409   2HG2  VAL  54          HG21      VAL  54   4.406  -0.267  -4.617
  410   3HG2  VAL  54          HG23      VAL  54   5.135   0.557  -3.249
  411    H    THR  55           HN       THR  55   5.837  -2.771  -4.906
  412    HA   THR  55           HA       THR  55   7.825  -3.977  -3.056
  413    HB   THR  55           HB       THR  55   7.303  -5.129  -5.827
  414    HG1  THR  55           HG1      THR  55   6.002  -5.308  -3.464
  415   1HG2  THR  55          HG23      THR  55   9.335  -5.542  -3.782
  416   2HG2  THR  55          HG22      THR  55   8.352  -6.992  -3.966
  417   3HG2  THR  55          HG21      THR  55   9.193  -6.315  -5.353
  418    H    GLU  56           HN       GLU  56   9.517  -2.619  -3.143
  419    HA   GLU  56           HA       GLU  56   9.965  -0.704  -5.210
  420   1HB   GLU  56           HB2      GLU  56  11.032  -1.183  -2.717
  421   2HB   GLU  56           HB1      GLU  56  12.379  -1.570  -3.779
  422   1HG   GLU  56           HG2      GLU  56  10.772   1.009  -3.836
  423   2HG   GLU  56           HG1      GLU  56  12.400   0.829  -3.188
   
  Start of MODEL          42
 Raw file had 423 H/Q atoms
  Entry Start of MODEL   42
    1   1H    MET   1           HT2      MET   1 -13.730   1.931   5.014
    2   2H    MET   1           HT1      MET   1 -14.376   2.116   3.455
    3   3H    MET   1           HT3      MET   1 -15.140   1.092   4.574
    4    HA   MET   1           HA       MET   1 -13.767  -0.610   4.189
    5   1HB   MET   1           HB2      MET   1 -13.259   1.168   1.795
    6   2HB   MET   1           HB1      MET   1 -12.699  -0.498   1.889
    7   1HG   MET   1           HG2      MET   1 -15.574   0.275   2.358
    8   2HG   MET   1           HG1      MET   1 -14.965  -0.069   0.761
    9   1HE   MET   1           HE2      MET   1 -17.124  -1.020   1.042
   10   2HE   MET   1           HE1      MET   1 -17.014  -2.731   0.630
   11   3HE   MET   1           HE3      MET   1 -17.586  -2.244   2.225
   12    H    THR   2           HN       THR   2 -11.691  -1.459   4.380
   13    HA   THR   2           HA       THR   2  -9.434   0.470   4.570
   14    HB   THR   2           HB       THR   2  -9.979  -1.569   6.758
   15    HG1  THR   2           HG1      THR   2 -11.150  -0.013   7.661
   16   1HG2  THR   2          HG21      THR   2  -7.623  -0.520   6.378
   17   2HG2  THR   2          HG23      THR   2  -8.379   0.995   6.853
   18   3HG2  THR   2          HG22      THR   2  -8.328  -0.350   7.983
   19    OH   TYR   3           OH       TYR   3 -11.673  -0.080  -1.095
   20    H    TYR   3           HN       TYR   3  -7.860  -0.304   3.308
   21    HA   TYR   3           HA       TYR   3  -7.727  -3.249   2.846
   22   1HB   TYR   3           HB2      TYR   3  -6.160  -1.142   1.366
   23   2HB   TYR   3           HB1      TYR   3  -6.522  -2.780   0.852
   24    HD1  TYR   3           HD1      TYR   3  -7.970   0.577   1.421
   25    HD2  TYR   3           HD2      TYR   3  -8.672  -3.324  -0.123
   26    HE1  TYR   3           HE1      TYR   3 -10.028   1.370   0.350
   27    HE2  TYR   3           HE2      TYR   3 -10.729  -2.530  -1.193
   28    HH   TYR   3           HH       TYR   3 -11.516  -0.030  -2.041
   29    H    LYS   4           HN       LYS   4  -5.663  -4.309   2.896
   30    HA   LYS   4           HA       LYS   4  -3.880  -3.148   4.992
   31   1HB   LYS   4           HB2      LYS   4  -5.079  -5.540   4.995
   32   2HB   LYS   4           HB1      LYS   4  -3.655  -5.982   4.073
   33   1HG   LYS   4           HG2      LYS   4  -2.395  -4.656   6.006
   34   2HG   LYS   4           HG1      LYS   4  -3.852  -5.049   6.910
   35   1HD   LYS   4           HD2      LYS   4  -2.500  -6.922   7.330
   36   2HD   LYS   4           HD1      LYS   4  -3.491  -7.468   5.981
   37   1HE   LYS   4           HE2      LYS   4  -1.487  -7.988   5.018
   38   2HE   LYS   4           HE1      LYS   4  -1.413  -6.271   4.649
   39   1HZ   LYS   4           HZ2      LYS   4  -0.323  -6.016   6.887
   40   2HZ   LYS   4           HZ1      LYS   4  -0.156  -7.706   6.906
   41   3HZ   LYS   4           HZ3      LYS   4   0.596  -6.790   5.687
   42    H    LEU   5           HN       LEU   5  -1.973  -2.350   4.334
   43    HA   LEU   5           HA       LEU   5  -1.022  -3.012   1.615
   44   1HB   LEU   5           HB2      LEU   5  -0.954  -0.675   2.141
   45   2HB   LEU   5           HB1      LEU   5  -0.190  -0.967   3.692
   46    HG   LEU   5           HG       LEU   5   1.875  -1.793   2.414
   47   1HD1  LEU   5          HD12      LEU   5   0.362  -0.601   0.069
   48   2HD1  LEU   5          HD11      LEU   5   2.023  -1.166   0.032
   49   3HD1  LEU   5          HD13      LEU   5   0.716  -2.311   0.271
   50   1HD2  LEU   5          HD22      LEU   5   1.445   0.614   3.271
   51   2HD2  LEU   5          HD21      LEU   5   2.718   0.378   2.080
   52   3HD2  LEU   5          HD23      LEU   5   1.156   1.003   1.581
   53    H    ILE   6           HN       ILE   6   1.083  -3.797   1.205
   54    HA   ILE   6           HA       ILE   6   2.564  -4.947   3.481
   55    HB   ILE   6           HB       ILE   6   2.059  -6.428   0.891
   56   1HG1  ILE   6          HG12      ILE   6   0.706  -6.573   3.601
   57   2HG1  ILE   6          HG11      ILE   6  -0.053  -6.325   2.032
   58   1HG2  ILE   6          HG23      ILE   6   4.167  -6.877   2.316
   59   2HG2  ILE   6          HG22      ILE   6   3.065  -7.508   3.534
   60   3HG2  ILE   6          HG21      ILE   6   3.154  -8.266   1.948
   61   1HD1  ILE   6           HD1      ILE   6   0.907  -8.642   1.399
   62   2HD1  ILE   6           HD3      ILE   6   1.192  -8.859   3.123
   63   3HD1  ILE   6           HD2      ILE   6  -0.445  -8.621   2.526
   64    H    LEU   7           HN       LEU   7   4.337  -3.667   3.402
   65    HA   LEU   7           HA       LEU   7   5.448  -2.760   0.864
   66   1HB   LEU   7           HB2      LEU   7   6.496  -2.500   3.682
   67   2HB   LEU   7           HB1      LEU   7   7.175  -1.688   2.278
   68    HG   LEU   7           HG       LEU   7   4.281  -1.325   2.461
   69   1HD1  LEU   7          HD11      LEU   7   6.048  -0.451   4.766
   70   2HD1  LEU   7          HD13      LEU   7   4.485   0.284   4.421
   71   3HD1  LEU   7          HD12      LEU   7   4.581  -1.421   4.853
   72   1HD2  LEU   7          HD22      LEU   7   6.643   0.589   2.456
   73   2HD2  LEU   7          HD21      LEU   7   5.801   0.000   1.025
   74   3HD2  LEU   7          HD23      LEU   7   4.965   1.041   2.172
   75    H    ASN   8           HN       ASN   8   6.718  -3.923  -0.384
   76    HA   ASN   8           HA       ASN   8   8.331  -6.101   0.856
   77   1HB   ASN   8           HB2      ASN   8   6.770  -5.844  -1.572
   78   2HB   ASN   8           HB1      ASN   8   8.411  -6.319  -1.955
   79   1HD2  ASN   8          HD22      ASN   8   6.007  -9.134  -0.801
   80   2HD2  ASN   8          HD21      ASN   8   5.608  -7.725  -1.647
   81    H    GLY   9           HN       GLY   9   9.240  -3.484   1.172
   82   1HA   GLY   9           HA2      GLY   9  10.968  -2.447  -0.781
   83   2HA   GLY   9           HA1      GLY   9  11.259  -2.288   0.947
   84    H    LYS  10           HN       LYS  10  13.115  -2.795  -1.325
   85    HA   LYS  10           HA       LYS  10  14.028  -5.480  -1.367
   86   1HB   LYS  10           HB2      LYS  10  15.659  -2.940  -1.621
   87   2HB   LYS  10           HB1      LYS  10  16.181  -4.543  -2.125
   88   1HG   LYS  10           HG2      LYS  10  13.624  -4.158  -3.278
   89   2HG   LYS  10           HG1      LYS  10  14.502  -2.656  -3.543
   90   1HD   LYS  10           HD2      LYS  10  15.531  -5.437  -4.217
   91   2HD   LYS  10           HD1      LYS  10  14.906  -4.276  -5.382
   92   1HE   LYS  10           HE2      LYS  10  17.056  -3.562  -5.562
   93   2HE   LYS  10           HE1      LYS  10  16.787  -2.782  -4.009
   94   1HZ   LYS  10           HZ3      LYS  10  17.386  -5.477  -3.560
   95   2HZ   LYS  10           HZ2      LYS  10  18.556  -4.845  -4.616
   96   3HZ   LYS  10           HZ1      LYS  10  18.281  -4.105  -3.112
   97    H    THR  11           HN       THR  11  15.383  -2.775   0.507
   98    HA   THR  11           HA       THR  11  16.573  -4.756   2.378
   99    HB   THR  11           HB       THR  11  17.607  -2.425   3.244
  100    HG1  THR  11           HG1      THR  11  17.398  -0.906   1.721
  101   1HG2  THR  11          HG22      THR  11  18.322  -4.150   0.891
  102   2HG2  THR  11          HG21      THR  11  19.169  -2.617   1.070
  103   3HG2  THR  11          HG23      THR  11  19.259  -3.826   2.346
  104    H    LEU  12           HN       LEU  12  13.689  -3.459   2.133
  105    HA   LEU  12           HA       LEU  12  13.344  -3.328   5.071
  106   1HB   LEU  12           HB2      LEU  12  13.791  -0.981   4.065
  107   2HB   LEU  12           HB1      LEU  12  12.172  -1.122   3.393
  108    HG   LEU  12           HG       LEU  12  11.588  -1.852   5.897
  109   1HD1  LEU  12          HD12      LEU  12  14.175  -1.518   6.341
  110   2HD1  LEU  12          HD11      LEU  12  13.728   0.182   6.455
  111   3HD1  LEU  12          HD13      LEU  12  13.002  -0.993   7.546
  112   1HD2  LEU  12          HD23      LEU  12  11.938   0.897   4.706
  113   2HD2  LEU  12          HD22      LEU  12  10.447   0.004   4.994
  114   3HD2  LEU  12          HD21      LEU  12  11.323   0.711   6.346
  115    H    LYS  13           HN       LYS  13  11.209  -3.709   5.756
  116    HA   LYS  13           HA       LYS  13   9.138  -4.198   3.712
  117   1HB   LYS  13           HB2      LYS  13  10.209  -6.380   5.520
  118   2HB   LYS  13           HB1      LYS  13   8.724  -6.514   4.588
  119   1HG   LYS  13           HG2      LYS  13  10.139  -5.946   2.523
  120   2HG   LYS  13           HG1      LYS  13  11.550  -6.209   3.541
  121   1HD   LYS  13           HD2      LYS  13  10.220  -8.459   4.139
  122   2HD   LYS  13           HD1      LYS  13   9.542  -8.181   2.538
  123   1HE   LYS  13           HE2      LYS  13  12.412  -8.665   3.316
  124   2HE   LYS  13           HE1      LYS  13  11.464  -9.450   2.061
  125   1HZ   LYS  13           HZ1      LYS  13  11.558  -6.722   1.488
  126   2HZ   LYS  13           HZ3      LYS  13  13.143  -7.225   1.837
  127   3HZ   LYS  13           HZ2      LYS  13  12.254  -8.004   0.617
  128    H    GLY  14           HN       GLY  14   7.081  -3.962   4.528
  129   1HA   GLY  14           HA2      GLY  14   6.601  -4.014   7.418
  130   2HA   GLY  14           HA1      GLY  14   6.526  -2.401   6.715
  131    H    GLU  15           HN       GLU  15   4.264  -2.569   7.530
  132    HA   GLU  15           HA       GLU  15   2.443  -3.074   5.383
  133   1HB   GLU  15           HB2      GLU  15   1.173  -4.942   6.618
  134   2HB   GLU  15           HB1      GLU  15   2.652  -5.399   5.781
  135   1HG   GLU  15           HG2      GLU  15   3.768  -5.838   7.732
  136   2HG   GLU  15           HG1      GLU  15   3.034  -4.474   8.570
  137    H    THR  16           HN       THR  16   0.546  -2.017   5.764
  138    HA   THR  16           HA       THR  16  -0.354  -1.498   8.512
  139    HB   THR  16           HB       THR  16   1.262   0.339   8.282
  140    HG1  THR  16           HG1      THR  16  -0.869   0.703   9.153
  141   1HG2  THR  16          HG21      THR  16   0.473   0.283   5.548
  142   2HG2  THR  16          HG23      THR  16  -0.105   1.813   6.195
  143   3HG2  THR  16          HG22      THR  16   1.605   1.404   6.292
  144    H    THR  17           HN       THR  17  -2.485  -0.582   8.590
  145    HA   THR  17           HA       THR  17  -3.984  -0.978   6.029
  146    HB   THR  17           HB       THR  17  -5.830  -1.756   7.321
  147    HG1  THR  17           HG1      THR  17  -5.636  -1.254   9.682
  148   1HG2  THR  17          HG21      THR  17  -3.399  -2.964   7.827
  149   2HG2  THR  17          HG23      THR  17  -3.905  -2.500   9.447
  150   3HG2  THR  17          HG22      THR  17  -4.932  -3.543   8.468
  151    H    THR  18           HN       THR  18  -5.064   0.697   5.161
  152    HA   THR  18           HA       THR  18  -5.420   3.167   6.826
  153    HB   THR  18           HB       THR  18  -3.657   3.204   4.861
  154    HG1  THR  18           HG1      THR  18  -4.089   5.311   4.967
  155   1HG2  THR  18          HG21      THR  18  -5.622   2.294   3.284
  156   2HG2  THR  18          HG23      THR  18  -6.098   3.990   3.287
  157   3HG2  THR  18          HG22      THR  18  -4.508   3.522   2.692
  158    H    GLU  19           HN       GLU  19  -7.307   4.376   6.474
  159    HA   GLU  19           HA       GLU  19  -9.566   2.788   5.440
  160   1HB   GLU  19           HB2      GLU  19  -9.626   5.564   6.644
  161   2HB   GLU  19           HB1      GLU  19 -10.977   4.451   6.473
  162   1HG   GLU  19           HG2      GLU  19 -10.479   3.623   8.517
  163   2HG   GLU  19           HG1      GLU  19  -8.961   3.022   7.858
  164    H    ALA  20           HN       ALA  20 -10.318   3.003   3.430
  165    HA   ALA  20           HA       ALA  20 -10.054   5.635   2.062
  166   1HB   ALA  20           HB3      ALA  20  -8.754   3.094   1.304
  167   2HB   ALA  20           HB2      ALA  20  -9.581   3.924  -0.011
  168   3HB   ALA  20           HB1      ALA  20  -8.312   4.749   0.891
  169    H    VAL  21           HN       VAL  21 -11.599   5.990   0.414
  170    HA   VAL  21           HA       VAL  21 -14.011   4.286   0.706
  171    HB   VAL  21           HB       VAL  21 -14.188   6.766   0.977
  172   1HG1  VAL  21          HG13      VAL  21 -12.439   7.186  -0.852
  173   2HG1  VAL  21          HG12      VAL  21 -13.720   6.859  -2.015
  174   3HG1  VAL  21          HG11      VAL  21 -13.865   8.216  -0.904
  175   1HG2  VAL  21          HG21      VAL  21 -16.128   5.380   0.252
  176   2HG2  VAL  21          HG23      VAL  21 -16.181   6.994  -0.451
  177   3HG2  VAL  21          HG22      VAL  21 -15.656   5.626  -1.428
  178    H    ASP  22           HN       ASP  22 -11.579   5.190  -1.603
  179    HA   ASP  22           HA       ASP  22 -12.796   3.283  -3.550
  180   1HB   ASP  22           HB2      ASP  22 -12.155   4.827  -5.403
  181   2HB   ASP  22           HB1      ASP  22 -13.383   5.515  -4.344
  182    H    ALA  23           HN       ALA  23 -11.209   2.573  -5.208
  183    HA   ALA  23           HA       ALA  23  -8.741   1.782  -3.913
  184   1HB   ALA  23           HB2      ALA  23  -9.972   1.351  -6.609
  185   2HB   ALA  23           HB1      ALA  23  -8.269   0.967  -6.373
  186   3HB   ALA  23           HB3      ALA  23  -9.496   0.163  -5.400
  187    H    ALA  24           HN       ALA  24  -9.666   4.382  -5.993
  188    HA   ALA  24           HA       ALA  24  -7.064   4.990  -7.061
  189   1HB   ALA  24           HB3      ALA  24  -9.702   6.127  -7.139
  190   2HB   ALA  24           HB2      ALA  24  -8.535   7.399  -6.787
  191   3HB   ALA  24           HB1      ALA  24  -8.352   6.411  -8.234
  192    H    THR  25           HN       THR  25  -8.884   6.629  -4.468
  193    HA   THR  25           HA       THR  25  -6.691   8.203  -3.570
  194    HB   THR  25           HB       THR  25  -9.066   8.646  -2.890
  195    HG1  THR  25           HG1      THR  25  -7.718   8.098  -0.525
  196   1HG2  THR  25          HG23      THR  25  -9.496   6.126  -2.353
  197   2HG2  THR  25          HG22      THR  25  -8.631   6.446  -0.855
  198   3HG2  THR  25          HG21      THR  25 -10.124   7.308  -1.213
  199    H    ALA  26           HN       ALA  26  -7.488   4.869  -3.050
  200    HA   ALA  26           HA       ALA  26  -5.919   4.469  -0.670
  201   1HB   ALA  26           HB2      ALA  26  -7.638   2.861  -1.649
  202   2HB   ALA  26           HB1      ALA  26  -6.412   2.413  -2.832
  203   3HB   ALA  26           HB3      ALA  26  -6.129   2.124  -1.117
  204    H    GLU  27           HN       GLU  27  -5.190   4.378  -4.115
  205    HA   GLU  27           HA       GLU  27  -2.525   3.359  -3.904
  206   1HB   GLU  27           HB2      GLU  27  -4.067   4.909  -5.938
  207   2HB   GLU  27           HB1      GLU  27  -2.316   4.873  -6.097
  208   1HG   GLU  27           HG2      GLU  27  -2.261   2.569  -6.453
  209   2HG   GLU  27           HG1      GLU  27  -3.768   2.298  -5.587
  210    H    LYS  28           HN       LYS  28  -3.806   6.654  -3.898
  211    HA   LYS  28           HA       LYS  28  -1.199   7.902  -3.653
  212   1HB   LYS  28           HB2      LYS  28  -4.031   8.870  -3.287
  213   2HB   LYS  28           HB1      LYS  28  -2.650   9.918  -2.981
  214   1HG   LYS  28           HG2      LYS  28  -1.915   9.797  -5.238
  215   2HG   LYS  28           HG1      LYS  28  -2.915   8.389  -5.575
  216   1HD   LYS  28           HD2      LYS  28  -4.451  10.723  -4.632
  217   2HD   LYS  28           HD1      LYS  28  -3.618  10.998  -6.157
  218   1HE   LYS  28           HE2      LYS  28  -4.625   8.970  -7.107
  219   2HE   LYS  28           HE1      LYS  28  -5.409   8.619  -5.571
  220   1HZ   LYS  28           HZ1      LYS  28  -5.897  11.246  -6.729
  221   2HZ   LYS  28           HZ3      LYS  28  -6.609   9.918  -7.512
  222   3HZ   LYS  28           HZ2      LYS  28  -6.946  10.218  -5.875
  223    H    VAL  29           HN       VAL  29  -3.820   7.201  -1.361
  224    HA   VAL  29           HA       VAL  29  -2.696   8.416   0.927
  225    HB   VAL  29           HB       VAL  29  -4.381   5.909   0.719
  226   1HG1  VAL  29          HG11      VAL  29  -3.570   7.639   3.073
  227   2HG1  VAL  29          HG13      VAL  29  -4.969   6.571   3.121
  228   3HG1  VAL  29          HG12      VAL  29  -3.357   5.900   2.894
  229   1HG2  VAL  29          HG21      VAL  29  -5.023   8.486   0.021
  230   2HG2  VAL  29          HG23      VAL  29  -6.192   7.300   0.595
  231   3HG2  VAL  29          HG22      VAL  29  -5.493   8.463   1.719
  232    H    PHE  30           HN       PHE  30  -2.480   4.984   0.005
  233    HA   PHE  30           HA       PHE  30  -0.555   4.322   2.007
  234   1HB   PHE  30           HB2      PHE  30  -1.514   3.050  -0.520
  235   2HB   PHE  30           HB1      PHE  30  -0.028   2.440   0.194
  236    HD1  PHE  30           HD1      PHE  30  -0.263   2.241   2.951
  237    HD2  PHE  30           HD2      PHE  30  -3.444   1.908   0.131
  238    HE1  PHE  30           HE1      PHE  30  -1.591   0.976   4.585
  239    HE2  PHE  30           HE2      PHE  30  -4.744   0.635   1.769
  240    HZ   PHE  30           HZ       PHE  30  -3.816   0.130   3.978
  241    H    LYS  31           HN       LYS  31  -0.209   5.488  -1.305
  242    HA   LYS  31           HA       LYS  31   2.612   5.083  -1.521
  243   1HB   LYS  31           HB2      LYS  31   1.246   5.618  -3.474
  244   2HB   LYS  31           HB1      LYS  31   0.867   7.199  -2.801
  245   1HG   LYS  31           HG2      LYS  31   2.911   8.068  -3.352
  246   2HG   LYS  31           HG1      LYS  31   3.760   6.587  -2.933
  247   1HD   LYS  31           HD2      LYS  31   3.954   6.951  -5.338
  248   2HD   LYS  31           HD1      LYS  31   2.918   5.556  -5.068
  249   1HE   LYS  31           HE2      LYS  31   1.902   7.024  -6.752
  250   2HE   LYS  31           HE1      LYS  31   0.918   7.041  -5.296
  251   1HZ   LYS  31           HZ2      LYS  31   2.964   9.077  -5.978
  252   2HZ   LYS  31           HZ1      LYS  31   1.291   9.259  -6.216
  253   3HZ   LYS  31           HZ3      LYS  31   1.914   9.108  -4.644
  254    H    GLN  32           HN       GLN  32   0.703   7.758  -0.238
  255    HA   GLN  32           HA       GLN  32   2.833   9.581   0.222
  256   1HB   GLN  32           HB2      GLN  32   0.647  10.432   0.535
  257   2HB   GLN  32           HB1      GLN  32   0.198   9.113   1.611
  258   1HG   GLN  32           HG2      GLN  32   1.403   9.999   3.416
  259   2HG   GLN  32           HG1      GLN  32   2.477  10.926   2.372
  260   1HE2  GLN  32          HE22      GLN  32  -1.222  12.583   2.207
  261   2HE2  GLN  32          HE21      GLN  32  -0.925  11.020   1.613
  262    OH   TYR  33           OH       TYR  33   4.889   2.890   8.487
  263    H    TYR  33           HN       TYR  33   1.733   6.775   1.990
  264    HA   TYR  33           HA       TYR  33   3.337   7.241   4.352
  265   1HB   TYR  33           HB2      TYR  33   1.369   5.733   4.346
  266   2HB   TYR  33           HB1      TYR  33   2.223   4.645   3.259
  267    HD1  TYR  33           HD1      TYR  33   4.352   3.547   4.043
  268    HD2  TYR  33           HD2      TYR  33   1.843   5.722   6.699
  269    HE1  TYR  33           HE1      TYR  33   5.450   2.479   5.951
  270    HE2  TYR  33           HE2      TYR  33   2.942   4.652   8.612
  271    HH   TYR  33           HH       TYR  33   5.677   2.446   8.167
  272    H    ALA  34           HN       ALA  34   3.691   4.768   1.826
  273    HA   ALA  34           HA       ALA  34   6.227   3.824   2.414
  274   1HB   ALA  34           HB1      ALA  34   4.564   3.974   0.033
  275   2HB   ALA  34           HB3      ALA  34   6.276   4.057  -0.367
  276   3HB   ALA  34           HB2      ALA  34   5.652   2.690   0.552
  277    H    ASN  35           HN       ASN  35   5.406   6.839   0.793
  278    HA   ASN  35           HA       ASN  35   7.963   7.606  -0.119
  279   1HB   ASN  35           HB2      ASN  35   5.872   8.855  -0.603
  280   2HB   ASN  35           HB1      ASN  35   5.838   9.410   1.069
  281   1HD2  ASN  35          HD22      ASN  35   9.048  10.726  -1.146
  282   2HD2  ASN  35          HD21      ASN  35   8.566   9.103  -1.266
  283    H    ASP  36           HN       ASP  36   6.516   7.928   3.086
  284    HA   ASP  36           HA       ASP  36   8.747   9.396   4.209
  285   1HB   ASP  36           HB2      ASP  36   6.402   7.908   5.377
  286   2HB   ASP  36           HB1      ASP  36   7.667   8.563   6.415
  287    H    ASN  37           HN       ASN  37   8.896   6.538   2.885
  288    HA   ASN  37           HA       ASN  37  10.862   5.495   4.880
  289   1HB   ASN  37           HB2      ASN  37   8.829   3.858   3.341
  290   2HB   ASN  37           HB1      ASN  37  10.108   3.190   4.351
  291   1HD2  ASN  37          HD22      ASN  37   6.707   4.523   6.063
  292   2HD2  ASN  37          HD21      ASN  37   6.907   4.455   4.379
  293    H    GLY  38           HN       GLY  38   9.897   5.934   1.571
  294   1HA   GLY  38           HA2      GLY  38  11.503   6.221  -0.211
  295   2HA   GLY  38           HA1      GLY  38  12.676   5.309   0.737
  296    H    VAL  39           HN       VAL  39   9.349   4.642  -0.339
  297    HA   VAL  39           HA       VAL  39  10.373   2.223  -1.768
  298    HB   VAL  39           HB       VAL  39   7.888   2.289  -0.034
  299   1HG1  VAL  39          HG11      VAL  39   7.814   0.709  -1.944
  300   2HG1  VAL  39          HG13      VAL  39   9.354   0.024  -1.434
  301   3HG1  VAL  39          HG12      VAL  39   7.928  -0.156  -0.416
  302   1HG2  VAL  39          HG22      VAL  39  10.738   1.630   0.520
  303   2HG2  VAL  39          HG21      VAL  39   9.485   2.194   1.620
  304   3HG2  VAL  39          HG23      VAL  39   9.544   0.499   1.148
  305    H    ASP  40           HN       ASP  40  10.097   3.265  -3.760
  306    HA   ASP  40           HA       ASP  40   7.257   3.469  -4.619
  307   1HB   ASP  40           HB2      ASP  40   9.313   5.587  -5.291
  308   2HB   ASP  40           HB1      ASP  40   7.594   5.610  -5.677
  309    H    GLY  41           HN       GLY  41   7.051   2.137  -6.292
  310   1HA   GLY  41           HA2      GLY  41   8.724   2.344  -8.636
  311   2HA   GLY  41           HA1      GLY  41   9.121   0.893  -7.719
  312    H    GLU  42           HN       GLU  42   7.448  -0.677  -7.372
  313    HA   GLU  42           HA       GLU  42   5.332  -0.594  -9.491
  314   1HB   GLU  42           HB2      GLU  42   6.253  -3.087  -8.109
  315   2HB   GLU  42           HB1      GLU  42   5.520  -2.920  -9.698
  316   1HG   GLU  42           HG2      GLU  42   7.621  -1.584 -10.351
  317   2HG   GLU  42           HG1      GLU  42   8.338  -2.193  -8.862
  318    CH2  TRP  43           CH2      TRP  43   2.066   2.522  -2.097
  319    H    TRP  43           HN       TRP  43   3.254  -0.667  -8.870
  320    HA   TRP  43           HA       TRP  43   2.683  -1.277  -5.989
  321   1HB   TRP  43           HB2      TRP  43   1.613   0.821  -7.850
  322   2HB   TRP  43           HB1      TRP  43   0.659   0.289  -6.477
  323    HD1  TRP  43           HD1      TRP  43   4.222   1.573  -7.246
  324    HE1  TRP  43           HE1      TRP  43   4.956   2.899  -5.207
  325    HE3  TRP  43           HE3      TRP  43   0.310   0.704  -4.303
  326    HZ2  TRP  43           HZ2      TRP  43   3.962   3.427  -2.466
  327    HZ3  TRP  43           HZ3      TRP  43   0.188   1.517  -2.002
  328    HH2  TRP  43           HH2      TRP  43   2.012   2.874  -1.077
  329    H    THR  44           HN       THR  44   1.159  -2.756  -5.560
  330    HA   THR  44           HA       THR  44  -0.476  -3.787  -7.855
  331    HB   THR  44           HB       THR  44  -0.330  -6.031  -6.499
  332    HG1  THR  44           HG1      THR  44   0.590  -4.897  -4.693
  333   1HG2  THR  44          HG21      THR  44   2.135  -4.806  -7.807
  334   2HG2  THR  44          HG23      THR  44   1.958  -6.517  -7.427
  335   3HG2  THR  44          HG22      THR  44   0.909  -5.769  -8.629
  336    OH   TYR  45           OH       TYR  45  -8.960  -1.437  -3.003
  337    H    TYR  45           HN       TYR  45  -2.437  -4.955  -7.155
  338    HA   TYR  45           HA       TYR  45  -3.586  -3.949  -4.589
  339   1HB   TYR  45           HB2      TYR  45  -4.173  -2.535  -6.687
  340   2HB   TYR  45           HB1      TYR  45  -5.157  -3.915  -7.178
  341    HD1  TYR  45           HD1      TYR  45  -6.592  -4.817  -4.817
  342    HD2  TYR  45           HD2      TYR  45  -5.487  -0.841  -5.825
  343    HE1  TYR  45           HE1      TYR  45  -8.360  -3.963  -3.373
  344    HE2  TYR  45           HE2      TYR  45  -7.299   0.012  -4.427
  345    HH   TYR  45           HH       TYR  45  -8.612  -1.323  -2.115
  346    H    ASP  46           HN       ASP  46  -4.493  -5.591  -3.502
  347    HA   ASP  46           HA       ASP  46  -5.139  -8.102  -4.986
  348   1HB   ASP  46           HB2      ASP  46  -3.527  -8.010  -2.944
  349   2HB   ASP  46           HB1      ASP  46  -4.997  -7.856  -1.987
  350    H    ASP  47           HN       ASP  47  -7.133  -6.877  -5.689
  351    HA   ASP  47           HA       ASP  47  -9.170  -6.159  -3.801
  352   1HB   ASP  47           HB2      ASP  47  -9.113  -5.408  -6.185
  353   2HB   ASP  47           HB1      ASP  47  -9.546  -7.045  -6.674
  354    H    ALA  48           HN       ALA  48  -7.934  -9.153  -4.529
  355    HA   ALA  48           HA       ALA  48 -10.449 -10.651  -4.331
  356   1HB   ALA  48           HB2      ALA  48  -7.542 -11.395  -4.531
  357   2HB   ALA  48           HB1      ALA  48  -8.739 -12.608  -4.087
  358   3HB   ALA  48           HB3      ALA  48  -8.859 -11.779  -5.635
  359    H    THR  49           HN       THR  49  -8.145  -9.311  -2.192
  360    HA   THR  49           HA       THR  49  -9.540 -10.608   0.095
  361    HB   THR  49           HB       THR  49  -7.073 -10.707   1.133
  362    HG1  THR  49           HG1      THR  49  -5.599 -10.534  -0.397
  363   1HG2  THR  49          HG22      THR  49  -8.307 -12.620  -0.870
  364   2HG2  THR  49          HG21      THR  49  -6.753 -12.969  -0.118
  365   3HG2  THR  49          HG23      THR  49  -8.197 -12.811   0.878
  366    H    LYS  50           HN       LYS  50  -8.995  -7.840  -1.321
  367    HA   LYS  50           HA       LYS  50  -8.802  -5.607  -0.613
  368   1HB   LYS  50           HB2      LYS  50  -9.756  -6.838   1.987
  369   2HB   LYS  50           HB1      LYS  50  -9.779  -5.119   1.604
  370   1HG   LYS  50           HG2      LYS  50 -11.295  -5.524  -0.278
  371   2HG   LYS  50           HG1      LYS  50 -11.211  -7.260  -0.006
  372   1HD   LYS  50           HD2      LYS  50 -11.902  -6.021   2.478
  373   2HD   LYS  50           HD1      LYS  50 -12.959  -5.360   1.236
  374   1HE   LYS  50           HE2      LYS  50 -13.537  -7.649   0.504
  375   2HE   LYS  50           HE1      LYS  50 -12.469  -8.317   1.732
  376   1HZ   LYS  50           HZ1      LYS  50 -14.752  -6.537   2.357
  377   2HZ   LYS  50           HZ3      LYS  50 -14.865  -8.230   2.343
  378   3HZ   LYS  50           HZ2      LYS  50 -13.827  -7.458   3.443
  379    H    THR  51           HN       THR  51  -6.421  -6.443  -0.832
  380    HA   THR  51           HA       THR  51  -4.999  -5.477   1.599
  381    HB   THR  51           HB       THR  51  -4.667  -8.205   0.304
  382    HG1  THR  51           HG1      THR  51  -4.888  -8.730   2.460
  383   1HG2  THR  51          HG21      THR  51  -2.670  -6.800   2.122
  384   2HG2  THR  51          HG23      THR  51  -2.593  -8.479   1.616
  385   3HG2  THR  51          HG22      THR  51  -2.358  -7.195   0.439
  386    H    PHE  52           HN       PHE  52  -3.729  -3.822   0.872
  387    HA   PHE  52           HA       PHE  52  -3.047  -3.639  -1.959
  388   1HB   PHE  52           HB2      PHE  52  -3.058  -1.874   0.329
  389   2HB   PHE  52           HB1      PHE  52  -1.553  -1.739  -0.570
  390    HD1  PHE  52           HD1      PHE  52  -1.600  -1.110  -3.003
  391    HD2  PHE  52           HD2      PHE  52  -5.139  -1.230  -0.681
  392    HE1  PHE  52           HE1      PHE  52  -2.806   0.143  -4.749
  393    HE2  PHE  52           HE2      PHE  52  -6.299   0.131  -2.331
  394    HZ   PHE  52           HZ       PHE  52  -5.122   0.867  -4.348
  395    H    THR  53           HN       THR  53  -0.760  -3.351  -2.654
  396    HA   THR  53           HA       THR  53   1.319  -4.346  -0.852
  397    HB   THR  53           HB       THR  53   0.495  -6.002  -3.266
  398    HG1  THR  53           HG1      THR  53  -0.830  -6.441  -1.577
  399   1HG2  THR  53          HG23      THR  53   2.983  -5.810  -1.771
  400   2HG2  THR  53          HG22      THR  53   2.219  -7.369  -1.476
  401   3HG2  THR  53          HG21      THR  53   2.604  -6.876  -3.122
  402    H    VAL  54           HN       VAL  54   3.295  -3.630  -1.453
  403    HA   VAL  54           HA       VAL  54   3.657  -2.650  -4.245
  404    HB   VAL  54           HB       VAL  54   2.977  -0.739  -2.742
  405   1HG1  VAL  54          HG11      VAL  54   4.154  -1.748  -0.739
  406   2HG1  VAL  54          HG13      VAL  54   5.670  -1.198  -1.442
  407   3HG1  VAL  54          HG12      VAL  54   4.434  -0.032  -0.979
  408   1HG2  VAL  54          HG22      VAL  54   5.754  -0.772  -3.948
  409   2HG2  VAL  54          HG21      VAL  54   4.277  -0.157  -4.665
  410   3HG2  VAL  54          HG23      VAL  54   5.016   0.688  -3.316
  411    H    THR  55           HN       THR  55   5.838  -2.641  -4.907
  412    HA   THR  55           HA       THR  55   7.828  -3.778  -3.004
  413    HB   THR  55           HB       THR  55   7.218  -5.016  -5.724
  414    HG1  THR  55           HG1      THR  55   6.082  -5.206  -3.371
  415   1HG2  THR  55          HG22      THR  55   9.436  -5.278  -3.765
  416   2HG2  THR  55          HG21      THR  55   8.676  -6.801  -4.222
  417   3HG2  THR  55          HG23      THR  55   9.385  -5.765  -5.454
  418    H    GLU  56           HN       GLU  56   9.621  -2.572  -3.134
  419    HA   GLU  56           HA       GLU  56  10.032  -0.614  -5.200
  420   1HB   GLU  56           HB2      GLU  56  11.118  -1.114  -2.694
  421   2HB   GLU  56           HB1      GLU  56  12.461  -1.429  -3.784
  422   1HG   GLU  56           HG2      GLU  56  10.763   1.096  -3.795
  423   2HG   GLU  56           HG1      GLU  56  12.379   0.964  -3.110
   
  Start of MODEL          43
 Raw file had 423 H/Q atoms
  Entry Start of MODEL   43
    1   1H    MET   1           HT1      MET   1 -13.525   2.333   3.346
    2   2H    MET   1           HT3      MET   1 -13.408   1.311   1.994
    3   3H    MET   1           HT2      MET   1 -14.829   1.329   2.924
    4    HA   MET   1           HA       MET   1 -13.751   0.336   4.770
    5   1HB   MET   1           HB2      MET   1 -13.248  -0.962   2.101
    6   2HB   MET   1           HB1      MET   1 -12.736  -1.751   3.589
    7   1HG   MET   1           HG2      MET   1 -15.012  -2.433   2.845
    8   2HG   MET   1           HG1      MET   1 -14.968  -1.757   4.452
    9   1HE   MET   1           HE1      MET   1 -17.115  -1.048   5.079
   10   2HE   MET   1           HE3      MET   1 -16.051   0.350   5.239
   11   3HE   MET   1           HE2      MET   1 -17.682   0.553   4.600
   12    H    THR   2           HN       THR   2 -11.590  -1.162   5.026
   13    HA   THR   2           HA       THR   2  -9.278   0.689   4.551
   14    HB   THR   2           HB       THR   2  -9.614  -1.120   6.975
   15    HG1  THR   2           HG1      THR   2 -10.034   1.675   6.657
   16   1HG2  THR   2          HG21      THR   2  -7.348   0.120   6.071
   17   2HG2  THR   2          HG23      THR   2  -8.083   1.431   6.988
   18   3HG2  THR   2          HG22      THR   2  -7.703  -0.095   7.782
   19    OH   TYR   3           OH       TYR   3 -11.554   0.168  -0.969
   20    H    TYR   3           HN       TYR   3  -7.756  -0.192   3.306
   21    HA   TYR   3           HA       TYR   3  -7.700  -3.153   3.004
   22   1HB   TYR   3           HB2      TYR   3  -6.062  -1.189   1.405
   23   2HB   TYR   3           HB1      TYR   3  -6.555  -2.817   0.957
   24    HD1  TYR   3           HD1      TYR   3  -7.911   0.586   1.685
   25    HD2  TYR   3           HD2      TYR   3  -8.597  -3.167  -0.190
   26    HE1  TYR   3           HE1      TYR   3  -9.940   1.479   0.635
   27    HE2  TYR   3           HE2      TYR   3 -10.619  -2.270  -1.248
   28    HH   TYR   3           HH       TYR   3 -12.053   0.643  -0.300
   29    H    LYS   4           HN       LYS   4  -5.472  -4.139   2.808
   30    HA   LYS   4           HA       LYS   4  -3.698  -2.980   4.932
   31   1HB   LYS   4           HB2      LYS   4  -4.918  -5.365   5.043
   32   2HB   LYS   4           HB1      LYS   4  -3.505  -5.840   4.120
   33   1HG   LYS   4           HG2      LYS   4  -2.234  -4.429   5.999
   34   2HG   LYS   4           HG1      LYS   4  -3.667  -4.848   6.930
   35   1HD   LYS   4           HD2      LYS   4  -3.308  -7.252   6.289
   36   2HD   LYS   4           HD1      LYS   4  -1.793  -6.776   5.528
   37   1HE   LYS   4           HE2      LYS   4  -1.695  -5.591   8.063
   38   2HE   LYS   4           HE1      LYS   4  -2.387  -7.181   8.356
   39   1HZ   LYS   4           HZ2      LYS   4  -0.352  -7.634   6.594
   40   2HZ   LYS   4           HZ1      LYS   4   0.280  -6.470   7.657
   41   3HZ   LYS   4           HZ3      LYS   4  -0.325  -7.936   8.264
   42    H    LEU   5           HN       LEU   5  -1.862  -2.147   4.133
   43    HA   LEU   5           HA       LEU   5  -0.958  -2.882   1.446
   44   1HB   LEU   5           HB2      LEU   5  -0.789  -0.549   2.023
   45   2HB   LEU   5           HB1      LEU   5   0.039  -0.909   3.528
   46    HG   LEU   5           HG       LEU   5   1.995  -1.796   2.135
   47   1HD1  LEU   5          HD12      LEU   5   0.402  -0.504  -0.102
   48   2HD1  LEU   5          HD11      LEU   5   2.056  -1.081  -0.238
   49   3HD1  LEU   5          HD13      LEU   5   0.751  -2.224   0.038
   50   1HD2  LEU   5          HD23      LEU   5   1.842   0.530   3.102
   51   2HD2  LEU   5          HD22      LEU   5   2.866   0.397   1.677
   52   3HD2  LEU   5          HD21      LEU   5   1.246   1.069   1.538
   53    H    ILE   6           HN       ILE   6   1.084  -3.753   0.962
   54    HA   ILE   6           HA       ILE   6   2.516  -5.081   3.182
   55    HB   ILE   6           HB       ILE   6   1.895  -6.286   0.478
   56   1HG1  ILE   6          HG12      ILE   6   0.937  -7.120   3.235
   57   2HG1  ILE   6          HG11      ILE   6  -0.022  -6.142   2.129
   58   1HG2  ILE   6          HG22      ILE   6   3.920  -6.851   2.459
   59   2HG2  ILE   6          HG21      ILE   6   2.809  -8.211   2.344
   60   3HG2  ILE   6          HG23      ILE   6   3.650  -7.639   0.908
   61   1HD1  ILE   6           HD3      ILE   6   1.077  -8.492   0.793
   62   2HD1  ILE   6           HD2      ILE   6   0.093  -8.940   2.184
   63   3HD1  ILE   6           HD1      ILE   6  -0.596  -7.954   0.899
   64    H    LEU   7           HN       LEU   7   4.314  -3.830   3.237
   65    HA   LEU   7           HA       LEU   7   5.527  -2.796   0.796
   66   1HB   LEU   7           HB2      LEU   7   6.347  -2.718   3.695
   67   2HB   LEU   7           HB1      LEU   7   7.309  -1.995   2.412
   68    HG   LEU   7           HG       LEU   7   4.464  -1.277   2.256
   69   1HD1  LEU   7          HD12      LEU   7   6.105  -0.414   4.663
   70   2HD1  LEU   7          HD11      LEU   7   4.545   0.263   4.203
   71   3HD1  LEU   7          HD13      LEU   7   4.660  -1.419   4.712
   72   1HD2  LEU   7          HD22      LEU   7   7.034   0.332   2.456
   73   2HD2  LEU   7          HD21      LEU   7   6.272  -0.193   0.957
   74   3HD2  LEU   7          HD23      LEU   7   5.460   0.974   1.996
   75    H    ASN   8           HN       ASN   8   6.792  -3.941  -0.495
   76    HA   ASN   8           HA       ASN   8   8.333  -6.214   0.671
   77   1HB   ASN   8           HB2      ASN   8   6.804  -5.833  -1.759
   78   2HB   ASN   8           HB1      ASN   8   8.442  -6.312  -2.148
   79   1HD2  ASN   8          HD22      ASN   8   5.970  -9.128  -1.087
   80   2HD2  ASN   8          HD21      ASN   8   5.577  -7.666  -1.841
   81    H    GLY   9           HN       GLY   9   9.240  -3.581   1.051
   82   1HA   GLY   9           HA2      GLY   9  11.037  -2.539  -0.830
   83   2HA   GLY   9           HA1      GLY   9  11.271  -2.399   0.906
   84    H    LYS  10           HN       LYS  10  13.123  -2.942  -1.411
   85    HA   LYS  10           HA       LYS  10  14.080  -5.614  -1.338
   86   1HB   LYS  10           HB2      LYS  10  15.218  -2.967  -2.092
   87   2HB   LYS  10           HB1      LYS  10  16.358  -4.280  -1.822
   88   1HG   LYS  10           HG2      LYS  10  15.229  -5.675  -3.461
   89   2HG   LYS  10           HG1      LYS  10  13.932  -4.497  -3.634
   90   1HD   LYS  10           HD2      LYS  10  15.453  -2.870  -4.595
   91   2HD   LYS  10           HD1      LYS  10  16.843  -3.893  -4.247
   92   1HE   LYS  10           HE2      LYS  10  16.411  -5.312  -6.006
   93   2HE   LYS  10           HE1      LYS  10  14.668  -5.129  -5.859
   94   1HZ   LYS  10           HZ3      LYS  10  16.454  -3.003  -6.889
   95   2HZ   LYS  10           HZ2      LYS  10  15.653  -4.123  -7.883
   96   3HZ   LYS  10           HZ1      LYS  10  14.757  -3.037  -6.934
   97    H    THR  11           HN       THR  11  14.701  -2.857   0.733
   98    HA   THR  11           HA       THR  11  16.187  -4.658   2.597
   99    HB   THR  11           HB       THR  11  17.237  -2.274   3.250
  100    HG1  THR  11           HG1      THR  11  15.673  -1.651   1.373
  101   1HG2  THR  11          HG23      THR  11  18.509  -4.258   2.280
  102   2HG2  THR  11          HG22      THR  11  18.045  -3.683   0.682
  103   3HG2  THR  11          HG21      THR  11  19.083  -2.695   1.705
  104    H    LEU  12           HN       LEU  12  13.339  -3.200   2.181
  105    HA   LEU  12           HA       LEU  12  12.975  -2.879   5.113
  106   1HB   LEU  12           HB2      LEU  12  13.515  -0.624   3.995
  107   2HB   LEU  12           HB1      LEU  12  11.929  -0.760   3.244
  108    HG   LEU  12           HG       LEU  12  11.141  -1.278   5.720
  109   1HD1  LEU  12          HD11      LEU  12  13.774  -1.027   6.280
  110   2HD1  LEU  12          HD13      LEU  12  13.293   0.657   6.449
  111   3HD1  LEU  12          HD12      LEU  12  12.522  -0.582   7.434
  112   1HD2  LEU  12          HD21      LEU  12  11.897   1.478   4.690
  113   2HD2  LEU  12          HD23      LEU  12  10.371   0.643   4.418
  114   3HD2  LEU  12          HD22      LEU  12  10.800   1.189   6.035
  115    H    LYS  13           HN       LYS  13  11.619  -4.623   5.211
  116    HA   LYS  13           HA       LYS  13   9.211  -4.610   3.459
  117   1HB   LYS  13           HB2      LYS  13  10.237  -6.780   5.304
  118   2HB   LYS  13           HB1      LYS  13   8.900  -6.931   4.174
  119   1HG   LYS  13           HG2      LYS  13  10.546  -7.740   2.788
  120   2HG   LYS  13           HG1      LYS  13  10.807  -6.029   2.476
  121   1HD   LYS  13           HD2      LYS  13  12.971  -6.697   3.030
  122   2HD   LYS  13           HD1      LYS  13  12.379  -6.204   4.611
  123   1HE   LYS  13           HE2      LYS  13  13.377  -8.364   4.918
  124   2HE   LYS  13           HE1      LYS  13  11.638  -8.625   4.949
  125   1HZ   LYS  13           HZ1      LYS  13  11.730  -9.258   2.618
  126   2HZ   LYS  13           HZ3      LYS  13  13.413  -9.032   2.609
  127   3HZ   LYS  13           HZ2      LYS  13  12.726 -10.254   3.568
  128    H    GLY  14           HN       GLY  14   7.227  -4.180   4.269
  129   1HA   GLY  14           HA2      GLY  14   6.692  -4.438   7.145
  130   2HA   GLY  14           HA1      GLY  14   6.694  -2.781   6.553
  131    H    GLU  15           HN       GLU  15   4.429  -2.851   7.293
  132    HA   GLU  15           HA       GLU  15   2.606  -3.183   5.108
  133   1HB   GLU  15           HB2      GLU  15   1.235  -5.033   6.017
  134   2HB   GLU  15           HB1      GLU  15   2.860  -5.583   5.632
  135   1HG   GLU  15           HG2      GLU  15   3.373  -4.956   8.138
  136   2HG   GLU  15           HG1      GLU  15   1.627  -5.070   8.331
  137    H    THR  16           HN       THR  16   0.841  -1.934   5.488
  138    HA   THR  16           HA       THR  16  -0.020  -1.415   8.270
  139    HB   THR  16           HB       THR  16   1.644   0.358   8.018
  140    HG1  THR  16           HG1      THR  16  -0.990   1.250   7.394
  141   1HG2  THR  16          HG21      THR  16   1.077   0.224   5.295
  142   2HG2  THR  16          HG23      THR  16   0.268   1.707   5.788
  143   3HG2  THR  16          HG22      THR  16   1.995   1.513   6.064
  144    H    THR  17           HN       THR  17  -2.116  -0.431   8.394
  145    HA   THR  17           HA       THR  17  -3.696  -0.835   5.889
  146    HB   THR  17           HB       THR  17  -5.547  -1.432   7.263
  147    HG1  THR  17           HG1      THR  17  -5.819  -0.362   9.100
  148   1HG2  THR  17          HG23      THR  17  -3.174  -2.743   7.793
  149   2HG2  THR  17          HG22      THR  17  -3.617  -2.158   9.392
  150   3HG2  THR  17          HG21      THR  17  -4.721  -3.196   8.497
  151    H    THR  18           HN       THR  18  -5.027   0.749   5.102
  152    HA   THR  18           HA       THR  18  -5.116   3.347   6.579
  153    HB   THR  18           HB       THR  18  -3.401   3.222   4.574
  154    HG1  THR  18           HG1      THR  18  -3.854   5.370   4.390
  155   1HG2  THR  18          HG23      THR  18  -5.447   2.305   3.094
  156   2HG2  THR  18          HG22      THR  18  -5.841   4.019   3.009
  157   3HG2  THR  18          HG21      THR  18  -4.290   3.441   2.411
  158    H    GLU  19           HN       GLU  19  -6.977   4.596   6.210
  159    HA   GLU  19           HA       GLU  19  -9.303   3.022   5.316
  160   1HB   GLU  19           HB2      GLU  19  -9.135   5.821   6.467
  161   2HB   GLU  19           HB1      GLU  19 -10.620   4.915   6.196
  162   1HG   GLU  19           HG2      GLU  19  -9.899   3.186   7.772
  163   2HG   GLU  19           HG1      GLU  19  -8.342   3.985   7.979
  164    H    ALA  20           HN       ALA  20 -10.092   3.138   3.314
  165    HA   ALA  20           HA       ALA  20  -9.794   5.675   1.784
  166   1HB   ALA  20           HB3      ALA  20  -8.433   3.167   1.236
  167   2HB   ALA  20           HB2      ALA  20  -9.453   3.648  -0.117
  168   3HB   ALA  20           HB1      ALA  20  -8.208   4.739   0.481
  169    H    VAL  21           HN       VAL  21 -11.591   6.203   0.663
  170    HA   VAL  21           HA       VAL  21 -13.930   4.444   0.905
  171    HB   VAL  21           HB       VAL  21 -14.219   6.848   1.245
  172   1HG1  VAL  21          HG12      VAL  21 -12.362   7.562  -0.258
  173   2HG1  VAL  21          HG11      VAL  21 -13.335   7.103  -1.652
  174   3HG1  VAL  21          HG13      VAL  21 -13.856   8.423  -0.610
  175   1HG2  VAL  21          HG21      VAL  21 -16.014   5.411   0.101
  176   2HG2  VAL  21          HG23      VAL  21 -16.148   7.149  -0.142
  177   3HG2  VAL  21          HG22      VAL  21 -15.482   6.132  -1.415
  178    H    ASP  22           HN       ASP  22 -11.564   5.235  -1.473
  179    HA   ASP  22           HA       ASP  22 -12.897   3.372  -3.363
  180   1HB   ASP  22           HB2      ASP  22 -12.479   4.932  -5.255
  181   2HB   ASP  22           HB1      ASP  22 -13.611   5.604  -4.084
  182    H    ALA  23           HN       ALA  23 -11.478   2.153  -4.540
  183    HA   ALA  23           HA       ALA  23  -8.873   1.700  -3.635
  184   1HB   ALA  23           HB2      ALA  23 -10.310   1.131  -6.186
  185   2HB   ALA  23           HB1      ALA  23  -8.564   0.912  -6.168
  186   3HB   ALA  23           HB3      ALA  23  -9.576   0.013  -5.042
  187    H    ALA  24           HN       ALA  24 -10.007   4.369  -5.386
  188    HA   ALA  24           HA       ALA  24  -7.561   5.018  -6.801
  189   1HB   ALA  24           HB1      ALA  24 -10.163   5.998  -6.782
  190   2HB   ALA  24           HB3      ALA  24  -9.217   7.314  -6.095
  191   3HB   ALA  24           HB2      ALA  24  -8.812   6.675  -7.685
  192    H    THR  25           HN       THR  25  -9.071   6.773  -4.078
  193    HA   THR  25           HA       THR  25  -6.693   8.166  -3.386
  194    HB   THR  25           HB       THR  25  -8.938   8.849  -2.518
  195    HG1  THR  25           HG1      THR  25  -6.647   8.319  -1.046
  196   1HG2  THR  25          HG21      THR  25  -9.305   6.226  -1.816
  197   2HG2  THR  25          HG23      THR  25  -8.700   6.884  -0.300
  198   3HG2  THR  25          HG22      THR  25 -10.151   7.554  -1.033
  199    H    ALA  26           HN       ALA  26  -7.503   4.884  -2.984
  200    HA   ALA  26           HA       ALA  26  -5.872   4.400  -0.625
  201   1HB   ALA  26           HB1      ALA  26  -7.724   2.877  -1.521
  202   2HB   ALA  26           HB3      ALA  26  -6.575   2.370  -2.754
  203   3HB   ALA  26           HB2      ALA  26  -6.229   2.075  -1.052
  204    H    GLU  27           HN       GLU  27  -5.398   4.344  -4.101
  205    HA   GLU  27           HA       GLU  27  -2.728   3.266  -4.055
  206   1HB   GLU  27           HB2      GLU  27  -4.297   4.895  -6.064
  207   2HB   GLU  27           HB1      GLU  27  -2.638   4.401  -6.365
  208   1HG   GLU  27           HG2      GLU  27  -3.348   2.015  -5.923
  209   2HG   GLU  27           HG1      GLU  27  -5.011   2.588  -5.854
  210    H    LYS  28           HN       LYS  28  -4.093   6.483  -3.844
  211    HA   LYS  28           HA       LYS  28  -1.447   7.773  -3.929
  212   1HB   LYS  28           HB2      LYS  28  -3.388   8.848  -5.002
  213   2HB   LYS  28           HB1      LYS  28  -4.222   8.903  -3.457
  214   1HG   LYS  28           HG2      LYS  28  -1.638  10.091  -3.091
  215   2HG   LYS  28           HG1      LYS  28  -2.356  10.795  -4.531
  216   1HD   LYS  28           HD2      LYS  28  -3.778  10.551  -1.855
  217   2HD   LYS  28           HD1      LYS  28  -2.998  12.016  -2.438
  218   1HE   LYS  28           HE2      LYS  28  -4.688  11.034  -4.529
  219   2HE   LYS  28           HE1      LYS  28  -5.628  11.057  -3.042
  220   1HZ   LYS  28           HZ2      LYS  28  -3.980  13.391  -3.534
  221   2HZ   LYS  28           HZ1      LYS  28  -5.287  13.175  -4.596
  222   3HZ   LYS  28           HZ3      LYS  28  -5.560  13.280  -2.923
  223    H    VAL  29           HN       VAL  29  -3.858   6.859  -1.556
  224    HA   VAL  29           HA       VAL  29  -2.790   8.420   0.614
  225    HB   VAL  29           HB       VAL  29  -4.536   5.965   0.493
  226   1HG1  VAL  29          HG11      VAL  29  -3.277   7.330   2.876
  227   2HG1  VAL  29          HG13      VAL  29  -4.830   6.512   3.022
  228   3HG1  VAL  29          HG12      VAL  29  -3.399   5.606   2.541
  229   1HG2  VAL  29          HG22      VAL  29  -5.115   8.581   0.076
  230   2HG2  VAL  29          HG21      VAL  29  -6.264   7.457   0.796
  231   3HG2  VAL  29          HG23      VAL  29  -5.303   8.515   1.825
  232    H    PHE  30           HN       PHE  30  -2.443   4.966  -0.193
  233    HA   PHE  30           HA       PHE  30  -0.491   4.435   1.823
  234   1HB   PHE  30           HB2      PHE  30  -1.336   3.066  -0.708
  235   2HB   PHE  30           HB1      PHE  30   0.138   2.531   0.089
  236    HD1  PHE  30           HD1      PHE  30  -0.207   2.386   2.826
  237    HD2  PHE  30           HD2      PHE  30  -3.256   1.875  -0.110
  238    HE1  PHE  30           HE1      PHE  30  -1.566   1.132   4.443
  239    HE2  PHE  30           HE2      PHE  30  -4.582   0.598   1.507
  240    HZ   PHE  30           HZ       PHE  30  -3.737   0.205   3.777
  241    H    LYS  31           HN       LYS  31  -0.187   5.411  -1.574
  242    HA   LYS  31           HA       LYS  31   2.629   5.208  -1.790
  243   1HB   LYS  31           HB2      LYS  31   1.076   5.709  -3.679
  244   2HB   LYS  31           HB1      LYS  31   0.871   7.334  -3.038
  245   1HG   LYS  31           HG2      LYS  31   2.741   7.977  -4.139
  246   2HG   LYS  31           HG1      LYS  31   3.675   6.878  -3.136
  247   1HD   LYS  31           HD2      LYS  31   4.149   6.180  -5.351
  248   2HD   LYS  31           HD1      LYS  31   2.948   5.024  -4.800
  249   1HE   LYS  31           HE2      LYS  31   1.174   6.497  -5.861
  250   2HE   LYS  31           HE1      LYS  31   2.472   7.470  -6.538
  251   1HZ   LYS  31           HZ2      LYS  31   3.267   5.095  -7.328
  252   2HZ   LYS  31           HZ1      LYS  31   1.600   4.785  -7.247
  253   3HZ   LYS  31           HZ3      LYS  31   2.182   6.038  -8.234
  254    H    GLN  32           HN       GLN  32   0.619   7.614  -0.259
  255    HA   GLN  32           HA       GLN  32   2.724   9.562   0.130
  256   1HB   GLN  32           HB2      GLN  32   0.280  10.092   0.264
  257   2HB   GLN  32           HB1      GLN  32   0.196   9.160   1.755
  258   1HG   GLN  32           HG2      GLN  32   1.784  10.656   2.842
  259   2HG   GLN  32           HG1      GLN  32   2.054  11.526   1.334
  260   1HE2  GLN  32          HE22      GLN  32  -0.540  13.287   3.469
  261   2HE2  GLN  32          HE21      GLN  32   1.020  12.711   3.812
  262    OH   TYR  33           OH       TYR  33   4.726   2.536   8.107
  263    H    TYR  33           HN       TYR  33   1.620   6.725   1.807
  264    HA   TYR  33           HA       TYR  33   3.137   7.247   4.239
  265   1HB   TYR  33           HB2      TYR  33   1.157   5.838   4.364
  266   2HB   TYR  33           HB1      TYR  33   1.830   4.734   3.169
  267    HD1  TYR  33           HD1      TYR  33   3.908   3.423   3.745
  268    HD2  TYR  33           HD2      TYR  33   1.810   5.689   6.670
  269    HE1  TYR  33           HE1      TYR  33   5.053   2.186   5.522
  270    HE2  TYR  33           HE2      TYR  33   2.955   4.450   8.449
  271    HH   TYR  33           HH       TYR  33   5.108   1.745   7.718
  272    H    ALA  34           HN       ALA  34   3.458   4.881   1.607
  273    HA   ALA  34           HA       ALA  34   5.903   3.731   2.291
  274   1HB   ALA  34           HB2      ALA  34   4.270   3.623   0.093
  275   2HB   ALA  34           HB1      ALA  34   5.696   4.417  -0.570
  276   3HB   ALA  34           HB3      ALA  34   5.843   2.839   0.199
  277    H    ASN  35           HN       ASN  35   5.287   6.896   0.943
  278    HA   ASN  35           HA       ASN  35   7.916   7.574   0.117
  279   1HB   ASN  35           HB2      ASN  35   5.942   8.975  -0.371
  280   2HB   ASN  35           HB1      ASN  35   5.806   9.378   1.338
  281   1HD2  ASN  35          HD22      ASN  35   7.734  12.217   0.316
  282   2HD2  ASN  35          HD21      ASN  35   6.151  11.676   0.605
  283    H    ASP  36           HN       ASP  36   6.325   8.103   3.252
  284    HA   ASP  36           HA       ASP  36   8.572   9.251   4.569
  285   1HB   ASP  36           HB2      ASP  36   6.140   7.760   5.526
  286   2HB   ASP  36           HB1      ASP  36   7.392   8.248   6.666
  287    H    ASN  37           HN       ASN  37   8.171   6.175   3.329
  288    HA   ASN  37           HA       ASN  37  10.148   4.984   5.233
  289   1HB   ASN  37           HB2      ASN  37   8.183   3.703   3.322
  290   2HB   ASN  37           HB1      ASN  37   9.409   2.799   4.205
  291   1HD2  ASN  37          HD22      ASN  37   6.133   4.251   6.177
  292   2HD2  ASN  37          HD21      ASN  37   6.461   4.743   4.586
  293    H    GLY  38           HN       GLY  38   9.564   5.886   1.934
  294   1HA   GLY  38           HA2      GLY  38  11.348   6.339   0.373
  295   2HA   GLY  38           HA1      GLY  38  12.406   5.298   1.321
  296    H    VAL  39           HN       VAL  39   9.354   3.941   0.866
  297    HA   VAL  39           HA       VAL  39  10.483   2.064  -1.145
  298    HB   VAL  39           HB       VAL  39   7.941   1.825   0.485
  299   1HG1  VAL  39          HG12      VAL  39   9.525  -0.076  -1.267
  300   2HG1  VAL  39          HG11      VAL  39   8.314  -0.628  -0.114
  301   3HG1  VAL  39          HG13      VAL  39   7.843   0.407  -1.458
  302   1HG2  VAL  39          HG23      VAL  39  10.744   0.748   0.946
  303   2HG2  VAL  39          HG22      VAL  39   9.878   1.887   1.971
  304   3HG2  VAL  39          HG21      VAL  39   9.323   0.220   1.842
  305    H    ASP  40           HN       ASP  40  10.091   2.644  -3.189
  306    HA   ASP  40           HA       ASP  40   7.302   3.118  -4.017
  307   1HB   ASP  40           HB2      ASP  40   9.469   5.197  -4.164
  308   2HB   ASP  40           HB1      ASP  40   8.191   5.169  -5.377
  309    H    GLY  41           HN       GLY  41   6.929   2.512  -6.129
  310   1HA   GLY  41           HA2      GLY  41   8.641   2.376  -8.294
  311   2HA   GLY  41           HA1      GLY  41   9.009   0.905  -7.396
  312    H    GLU  42           HN       GLU  42   7.646  -0.811  -7.557
  313    HA   GLU  42           HA       GLU  42   5.415  -0.546  -9.492
  314   1HB   GLU  42           HB2      GLU  42   6.216  -3.119  -8.194
  315   2HB   GLU  42           HB1      GLU  42   5.583  -2.850  -9.812
  316   1HG   GLU  42           HG2      GLU  42   7.742  -1.605 -10.333
  317   2HG   GLU  42           HG1      GLU  42   8.362  -2.185  -8.790
  318    CH2  TRP  43           CH2      TRP  43   2.102   2.623  -2.222
  319    H    TRP  43           HN       TRP  43   3.315  -0.675  -8.919
  320    HA   TRP  43           HA       TRP  43   2.709  -1.273  -6.045
  321   1HB   TRP  43           HB2      TRP  43   1.634   0.798  -7.931
  322   2HB   TRP  43           HB1      TRP  43   0.692   0.279  -6.543
  323    HD1  TRP  43           HD1      TRP  43   4.246   1.560  -7.355
  324    HE1  TRP  43           HE1      TRP  43   4.990   2.920  -5.342
  325    HE3  TRP  43           HE3      TRP  43   0.344   0.743  -4.378
  326    HZ2  TRP  43           HZ2      TRP  43   4.001   3.513  -2.616
  327    HZ3  TRP  43           HZ3      TRP  43   0.222   1.620  -2.101
  328    HH2  TRP  43           HH2      TRP  43   2.045   3.010  -1.215
  329    H    THR  44           HN       THR  44   1.150  -2.700  -5.603
  330    HA   THR  44           HA       THR  44  -0.453  -3.785  -7.891
  331    HB   THR  44           HB       THR  44  -0.316  -6.003  -6.490
  332    HG1  THR  44           HG1      THR  44   1.761  -4.322  -5.506
  333   1HG2  THR  44          HG23      THR  44   1.655  -4.753  -8.294
  334   2HG2  THR  44          HG22      THR  44   2.371  -5.939  -7.208
  335   3HG2  THR  44          HG21      THR  44   1.061  -6.412  -8.284
  336    OH   TYR  45           OH       TYR  45  -8.918  -1.404  -3.009
  337    H    TYR  45           HN       TYR  45  -2.398  -5.008  -7.109
  338    HA   TYR  45           HA       TYR  45  -3.546  -3.939  -4.579
  339   1HB   TYR  45           HB2      TYR  45  -4.120  -2.518  -6.669
  340   2HB   TYR  45           HB1      TYR  45  -5.108  -3.890  -7.173
  341    HD1  TYR  45           HD1      TYR  45  -6.578  -4.795  -4.840
  342    HD2  TYR  45           HD2      TYR  45  -5.418  -0.822  -5.799
  343    HE1  TYR  45           HE1      TYR  45  -8.346  -3.932  -3.403
  344    HE2  TYR  45           HE2      TYR  45  -7.228   0.042  -4.401
  345    HH   TYR  45           HH       TYR  45  -8.548  -1.201  -2.147
  346    H    ASP  46           HN       ASP  46  -4.498  -5.557  -3.488
  347    HA   ASP  46           HA       ASP  46  -5.134  -8.075  -4.967
  348   1HB   ASP  46           HB2      ASP  46  -3.509  -7.977  -2.937
  349   2HB   ASP  46           HB1      ASP  46  -4.975  -7.844  -1.971
  350    H    ASP  47           HN       ASP  47  -7.164  -7.038  -5.687
  351    HA   ASP  47           HA       ASP  47  -9.198  -6.272  -3.796
  352   1HB   ASP  47           HB2      ASP  47  -9.306  -5.531  -6.120
  353   2HB   ASP  47           HB1      ASP  47  -9.433  -7.200  -6.672
  354    H    ALA  48           HN       ALA  48  -7.801  -9.159  -4.082
  355    HA   ALA  48           HA       ALA  48 -10.242 -10.819  -3.989
  356   1HB   ALA  48           HB2      ALA  48  -7.870 -11.390  -5.033
  357   2HB   ALA  48           HB1      ALA  48  -7.524 -11.910  -3.387
  358   3HB   ALA  48           HB3      ALA  48  -8.849 -12.646  -4.282
  359    H    THR  49           HN       THR  49  -8.066  -9.261  -1.833
  360    HA   THR  49           HA       THR  49  -9.588 -10.356   0.460
  361    HB   THR  49           HB       THR  49  -7.490 -10.945   1.693
  362    HG1  THR  49           HG1      THR  49  -5.674 -10.987  -0.007
  363   1HG2  THR  49          HG21      THR  49  -8.596 -12.644   0.057
  364   2HG2  THR  49          HG23      THR  49  -7.319 -12.190  -1.066
  365   3HG2  THR  49          HG22      THR  49  -6.911 -12.932   0.477
  366    H    LYS  50           HN       LYS  50  -9.028  -7.740  -1.016
  367    HA   LYS  50           HA       LYS  50  -8.672  -5.484  -0.448
  368   1HB   LYS  50           HB2      LYS  50  -9.468  -6.507   2.294
  369   2HB   LYS  50           HB1      LYS  50  -9.515  -4.830   1.764
  370   1HG   LYS  50           HG2      LYS  50 -10.986  -6.877   0.131
  371   2HG   LYS  50           HG1      LYS  50 -11.697  -6.354   1.650
  372   1HD   LYS  50           HD2      LYS  50 -11.540  -3.998   0.921
  373   2HD   LYS  50           HD1      LYS  50 -10.804  -4.512  -0.593
  374   1HE   LYS  50           HE2      LYS  50 -13.301  -5.936  -0.011
  375   2HE   LYS  50           HE1      LYS  50 -13.530  -4.197  -0.149
  376   1HZ   LYS  50           HZ1      LYS  50 -11.833  -4.918  -2.202
  377   2HZ   LYS  50           HZ3      LYS  50 -13.056  -6.095  -2.185
  378   3HZ   LYS  50           HZ2      LYS  50 -13.461  -4.451  -2.325
  379    H    THR  51           HN       THR  51  -6.330  -6.668  -0.685
  380    HA   THR  51           HA       THR  51  -4.735  -5.678   1.652
  381    HB   THR  51           HB       THR  51  -3.757  -8.009   0.015
  382    HG1  THR  51           HG1      THR  51  -5.198  -8.730   2.172
  383   1HG2  THR  51          HG22      THR  51  -2.670  -6.818   2.167
  384   2HG2  THR  51          HG21      THR  51  -3.819  -7.853   3.005
  385   3HG2  THR  51          HG23      THR  51  -2.592  -8.562   1.964
  386    H    PHE  52           HN       PHE  52  -3.620  -3.907   0.889
  387    HA   PHE  52           HA       PHE  52  -2.985  -3.666  -1.948
  388   1HB   PHE  52           HB2      PHE  52  -3.008  -1.935   0.357
  389   2HB   PHE  52           HB1      PHE  52  -1.495  -1.772  -0.524
  390    HD1  PHE  52           HD1      PHE  52  -1.517  -1.124  -2.947
  391    HD2  PHE  52           HD2      PHE  52  -5.077  -1.282  -0.657
  392    HE1  PHE  52           HE1      PHE  52  -2.714   0.134  -4.692
  393    HE2  PHE  52           HE2      PHE  52  -6.224   0.099  -2.302
  394    HZ   PHE  52           HZ       PHE  52  -5.032   0.852  -4.303
  395    H    THR  53           HN       THR  53  -0.732  -3.377  -2.701
  396    HA   THR  53           HA       THR  53   1.393  -4.379  -0.944
  397    HB   THR  53           HB       THR  53   0.473  -5.996  -3.351
  398    HG1  THR  53           HG1      THR  53   0.245  -7.508  -1.604
  399   1HG2  THR  53          HG23      THR  53   3.076  -5.776  -2.037
  400   2HG2  THR  53          HG22      THR  53   2.383  -7.378  -1.804
  401   3HG2  THR  53          HG21      THR  53   2.633  -6.755  -3.432
  402    H    VAL  54           HN       VAL  54   3.366  -3.677  -1.575
  403    HA   VAL  54           HA       VAL  54   3.674  -2.606  -4.336
  404    HB   VAL  54           HB       VAL  54   3.014  -0.736  -2.771
  405   1HG1  VAL  54          HG11      VAL  54   4.217  -1.791  -0.808
  406   2HG1  VAL  54          HG13      VAL  54   5.727  -1.233  -1.521
  407   3HG1  VAL  54          HG12      VAL  54   4.506  -0.071  -1.015
  408   1HG2  VAL  54          HG23      VAL  54   5.786  -0.717  -3.995
  409   2HG2  VAL  54          HG22      VAL  54   4.297  -0.125  -4.712
  410   3HG2  VAL  54          HG21      VAL  54   5.014   0.722  -3.350
  411    H    THR  55           HN       THR  55   5.876  -2.553  -5.016
  412    HA   THR  55           HA       THR  55   7.860  -3.764  -3.159
  413    HB   THR  55           HB       THR  55   7.257  -4.918  -5.915
  414    HG1  THR  55           HG1      THR  55   6.062  -6.267  -4.772
  415   1HG2  THR  55          HG21      THR  55   9.458  -5.244  -3.954
  416   2HG2  THR  55          HG23      THR  55   8.676  -6.752  -4.421
  417   3HG2  THR  55          HG22      THR  55   9.401  -5.720  -5.646
  418    H    GLU  56           HN       GLU  56   9.649  -2.577  -3.245
  419    HA   GLU  56           HA       GLU  56  10.098  -0.541  -5.212
  420   1HB   GLU  56           HB2      GLU  56  11.189  -1.228  -2.749
  421   2HB   GLU  56           HB1      GLU  56  12.522  -1.462  -3.872
  422   1HG   GLU  56           HG2      GLU  56  11.963   0.835  -4.827
  423   2HG   GLU  56           HG1      GLU  56  10.871   1.046  -3.462
   
  Start of MODEL          44
 Raw file had 423 H/Q atoms
  Entry Start of MODEL   44
    1   1H    MET   1           HT2      MET   1 -13.292  -1.144   5.904
    2   2H    MET   1           HT1      MET   1 -14.907  -0.823   5.488
    3   3H    MET   1           HT3      MET   1 -14.018  -1.977   4.615
    4    HA   MET   1           HA       MET   1 -13.636  -0.352   3.163
    5   1HB   MET   1           HB2      MET   1 -15.325   1.022   4.690
    6   2HB   MET   1           HB1      MET   1 -13.857   1.886   5.133
    7   1HG   MET   1           HG2      MET   1 -13.381   2.090   2.648
    8   2HG   MET   1           HG1      MET   1 -14.992   1.486   2.363
    9   1HE   MET   1           HE2      MET   1 -16.923   2.623   4.058
   10   2HE   MET   1           HE1      MET   1 -15.837   3.230   5.307
   11   3HE   MET   1           HE3      MET   1 -16.912   4.341   4.458
   12    H    THR   2           HN       THR   2 -11.640  -1.648   4.544
   13    HA   THR   2           HA       THR   2  -9.496   0.400   4.428
   14    HB   THR   2           HB       THR   2  -9.802  -1.502   6.790
   15    HG1  THR   2           HG1      THR   2  -9.966   1.327   6.611
   16   1HG2  THR   2          HG21      THR   2  -7.487  -0.300   5.812
   17   2HG2  THR   2          HG23      THR   2  -8.090   0.886   6.963
   18   3HG2  THR   2          HG22      THR   2  -7.750  -0.756   7.492
   19    OH   TYR   3           OH       TYR   3 -11.564   0.440  -0.991
   20    H    TYR   3           HN       TYR   3  -7.861  -0.347   3.219
   21    HA   TYR   3           HA       TYR   3  -7.730  -3.282   2.699
   22   1HB   TYR   3           HB2      TYR   3  -6.097  -1.206   1.252
   23   2HB   TYR   3           HB1      TYR   3  -6.621  -2.785   0.683
   24    HD1  TYR   3           HD1      TYR   3  -7.883   0.589   1.641
   25    HD2  TYR   3           HD2      TYR   3  -8.700  -3.022  -0.450
   26    HE1  TYR   3           HE1      TYR   3  -9.895   1.602   0.671
   27    HE2  TYR   3           HE2      TYR   3 -10.709  -2.008  -1.422
   28    HH   TYR   3           HH       TYR   3 -12.302   0.256  -0.406
   29    H    LYS   4           HN       LYS   4  -5.573  -4.289   2.625
   30    HA   LYS   4           HA       LYS   4  -3.814  -3.152   4.763
   31   1HB   LYS   4           HB2      LYS   4  -5.011  -5.418   5.055
   32   2HB   LYS   4           HB1      LYS   4  -3.872  -6.031   3.878
   33   1HG   LYS   4           HG2      LYS   4  -2.314  -4.561   5.742
   34   2HG   LYS   4           HG1      LYS   4  -3.446  -5.497   6.703
   35   1HD   LYS   4           HD2      LYS   4  -1.747  -6.689   4.479
   36   2HD   LYS   4           HD1      LYS   4  -1.272  -6.689   6.170
   37   1HE   LYS   4           HE2      LYS   4  -2.832  -8.634   4.918
   38   2HE   LYS   4           HE1      LYS   4  -2.641  -8.424   6.652
   39   1HZ   LYS   4           HZ1      LYS   4  -4.543  -6.915   6.623
   40   2HZ   LYS   4           HZ3      LYS   4  -4.744  -7.201   4.962
   41   3HZ   LYS   4           HZ2      LYS   4  -4.951  -8.468   6.072
   42    H    LEU   5           HN       LEU   5  -1.974  -2.315   4.016
   43    HA   LEU   5           HA       LEU   5  -0.980  -3.023   1.355
   44   1HB   LEU   5           HB2      LEU   5  -0.818  -0.701   2.016
   45   2HB   LEU   5           HB1      LEU   5  -0.009  -1.123   3.517
   46    HG   LEU   5           HG       LEU   5   1.949  -1.992   2.113
   47   1HD1  LEU   5          HD12      LEU   5   0.385  -0.608  -0.088
   48   2HD1  LEU   5          HD11      LEU   5   2.045  -1.165  -0.231
   49   3HD1  LEU   5          HD13      LEU   5   0.748  -2.330  -0.014
   50   1HD2  LEU   5          HD23      LEU   5   1.797   0.313   3.161
   51   2HD2  LEU   5          HD22      LEU   5   2.871   0.190   1.772
   52   3HD2  LEU   5          HD21      LEU   5   1.273   0.903   1.588
   53    H    ILE   6           HN       ILE   6   1.030  -3.958   0.915
   54    HA   ILE   6           HA       ILE   6   2.400  -5.312   3.159
   55    HB   ILE   6           HB       ILE   6   1.553  -6.398   0.493
   56   1HG1  ILE   6          HG12      ILE   6   1.593  -7.566   3.300
   57   2HG1  ILE   6          HG11      ILE   6   0.203  -6.759   2.595
   58   1HG2  ILE   6          HG21      ILE   6   3.983  -7.121   2.132
   59   2HG2  ILE   6          HG23      ILE   6   3.166  -8.356   1.184
   60   3HG2  ILE   6          HG22      ILE   6   3.847  -6.950   0.386
   61   1HD1  ILE   6           HD2      ILE   6   0.747  -8.566   0.627
   62   2HD1  ILE   6           HD1      ILE   6   1.299  -9.465   2.035
   63   3HD1  ILE   6           HD3      ILE   6  -0.360  -8.890   1.954
   64    H    LEU   7           HN       LEU   7   4.194  -4.093   3.359
   65    HA   LEU   7           HA       LEU   7   5.485  -2.884   1.040
   66   1HB   LEU   7           HB2      LEU   7   6.132  -2.966   3.977
   67   2HB   LEU   7           HB1      LEU   7   7.206  -2.210   2.806
   68    HG   LEU   7           HG       LEU   7   4.342  -1.458   2.582
   69   1HD1  LEU   7          HD11      LEU   7   6.052  -0.835   4.995
   70   2HD1  LEU   7          HD13      LEU   7   4.795   0.277   4.464
   71   3HD1  LEU   7          HD12      LEU   7   4.371  -1.361   4.951
   72   1HD2  LEU   7          HD23      LEU   7   6.344  -0.532   1.271
   73   2HD2  LEU   7          HD22      LEU   7   5.291   0.669   2.011
   74   3HD2  LEU   7          HD21      LEU   7   6.830   0.262   2.765
   75    H    ASN   8           HN       ASN   8   6.721  -4.025  -0.301
   76    HA   ASN   8           HA       ASN   8   8.369  -6.245   0.832
   77   1HB   ASN   8           HB2      ASN   8   6.813  -5.895  -1.602
   78   2HB   ASN   8           HB1      ASN   8   8.459  -6.364  -1.969
   79   1HD2  ASN   8          HD22      ASN   8   5.999  -9.186  -0.895
   80   2HD2  ASN   8          HD21      ASN   8   5.597  -7.732  -1.662
   81    H    GLY   9           HN       GLY   9   9.151  -3.583   1.216
   82   1HA   GLY   9           HA2      GLY   9  10.897  -2.502  -0.726
   83   2HA   GLY   9           HA1      GLY   9  11.052  -2.222   1.002
   84    H    LYS  10           HN       LYS  10  13.077  -2.706  -1.123
   85    HA   LYS  10           HA       LYS  10  14.225  -5.306  -0.868
   86   1HB   LYS  10           HB2      LYS  10  14.889  -3.672  -2.609
   87   2HB   LYS  10           HB1      LYS  10  15.630  -2.668  -1.367
   88   1HG   LYS  10           HG2      LYS  10  17.501  -3.932  -1.397
   89   2HG   LYS  10           HG1      LYS  10  16.563  -5.393  -1.105
   90   1HD   LYS  10           HD2      LYS  10  16.096  -5.630  -3.484
   91   2HD   LYS  10           HD1      LYS  10  16.860  -4.083  -3.827
   92   1HE   LYS  10           HE2      LYS  10  18.989  -4.929  -3.595
   93   2HE   LYS  10           HE1      LYS  10  18.509  -6.075  -2.350
   94   1HZ   LYS  10           HZ1      LYS  10  17.897  -6.330  -5.242
   95   2HZ   LYS  10           HZ3      LYS  10  19.115  -7.176  -4.414
   96   3HZ   LYS  10           HZ2      LYS  10  17.483  -7.448  -4.031
   97    H    THR  11           HN       THR  11  15.134  -2.274   0.760
   98    HA   THR  11           HA       THR  11  16.619  -3.851   2.780
   99    HB   THR  11           HB       THR  11  17.085  -1.312   3.548
  100    HG1  THR  11           HG1      THR  11  16.067  -0.077   2.161
  101   1HG2  THR  11          HG22      THR  11  18.776  -2.919   2.498
  102   2HG2  THR  11          HG21      THR  11  18.213  -2.359   0.926
  103   3HG2  THR  11          HG23      THR  11  18.991  -1.234   2.035
  104    H    LEU  12           HN       LEU  12  13.516  -3.089   2.382
  105    HA   LEU  12           HA       LEU  12  13.035  -3.071   5.298
  106   1HB   LEU  12           HB2      LEU  12  13.187  -0.652   4.385
  107   2HB   LEU  12           HB1      LEU  12  11.637  -0.995   3.626
  108    HG   LEU  12           HG       LEU  12  11.093  -1.910   6.101
  109   1HD1  LEU  12          HD12      LEU  12  13.374  -1.340   6.922
  110   2HD1  LEU  12          HD11      LEU  12  13.084   0.348   6.511
  111   3HD1  LEU  12          HD13      LEU  12  12.130  -0.427   7.773
  112   1HD2  LEU  12          HD22      LEU  12  11.042   1.004   5.241
  113   2HD2  LEU  12          HD21      LEU  12   9.807  -0.197   4.878
  114   3HD2  LEU  12          HD23      LEU  12  10.074   0.316   6.542
  115    H    LYS  13           HN       LYS  13  11.018  -3.871   5.876
  116    HA   LYS  13           HA       LYS  13   9.062  -4.494   3.754
  117   1HB   LYS  13           HB2      LYS  13  10.405  -6.635   5.423
  118   2HB   LYS  13           HB1      LYS  13   8.993  -6.905   4.411
  119   1HG   LYS  13           HG2      LYS  13  10.385  -5.955   2.474
  120   2HG   LYS  13           HG1      LYS  13  11.779  -6.103   3.537
  121   1HD   LYS  13           HD2      LYS  13  10.797  -8.564   3.884
  122   2HD   LYS  13           HD1      LYS  13  10.104  -8.252   2.298
  123   1HE   LYS  13           HE2      LYS  13  12.183  -9.142   1.713
  124   2HE   LYS  13           HE1      LYS  13  12.539  -7.420   1.718
  125   1HZ   LYS  13           HZ2      LYS  13  13.001  -9.257   3.999
  126   2HZ   LYS  13           HZ1      LYS  13  14.195  -8.722   2.918
  127   3HZ   LYS  13           HZ3      LYS  13  13.411  -7.611   3.935
  128    H    GLY  14           HN       GLY  14   6.999  -4.452   4.535
  129   1HA   GLY  14           HA2      GLY  14   6.373  -5.065   7.303
  130   2HA   GLY  14           HA1      GLY  14   6.356  -3.330   7.004
  131    H    GLU  15           HN       GLU  15   4.102  -3.335   7.485
  132    HA   GLU  15           HA       GLU  15   2.401  -3.534   5.192
  133   1HB   GLU  15           HB2      GLU  15   0.948  -5.383   5.915
  134   2HB   GLU  15           HB1      GLU  15   2.590  -5.964   5.674
  135   1HG   GLU  15           HG2      GLU  15   2.860  -5.371   8.236
  136   2HG   GLU  15           HG1      GLU  15   1.103  -5.504   8.245
  137    H    THR  16           HN       THR  16   0.700  -2.200   5.520
  138    HA   THR  16           HA       THR  16  -0.273  -1.754   8.287
  139    HB   THR  16           HB       THR  16   1.381   0.022   8.137
  140    HG1  THR  16           HG1      THR  16  -1.007   1.222   7.244
  141   1HG2  THR  16          HG21      THR  16   0.976  -0.106   5.375
  142   2HG2  THR  16          HG23      THR  16   0.177   1.393   5.829
  143   3HG2  THR  16          HG22      THR  16   1.880   1.154   6.205
  144    H    THR  17           HN       THR  17  -2.368  -0.854   8.393
  145    HA   THR  17           HA       THR  17  -3.873  -1.064   5.819
  146    HB   THR  17           HB       THR  17  -5.737  -1.870   7.062
  147    HG1  THR  17           HG1      THR  17  -4.987  -1.493   9.563
  148   1HG2  THR  17          HG22      THR  17  -3.420  -3.240   7.391
  149   2HG2  THR  17          HG21      THR  17  -3.701  -2.762   9.063
  150   3HG2  THR  17          HG23      THR  17  -4.905  -3.720   8.206
  151    H    THR  18           HN       THR  18  -5.115   0.587   5.116
  152    HA   THR  18           HA       THR  18  -5.436   2.967   6.894
  153    HB   THR  18           HB       THR  18  -3.541   3.227   5.146
  154    HG1  THR  18           HG1      THR  18  -4.469   5.011   6.082
  155   1HG2  THR  18          HG21      THR  18  -5.361   2.232   3.357
  156   2HG2  THR  18          HG23      THR  18  -5.691   3.956   3.216
  157   3HG2  THR  18          HG22      THR  18  -4.075   3.338   2.892
  158    H    GLU  19           HN       GLU  19  -7.262   4.290   6.405
  159    HA   GLU  19           HA       GLU  19  -9.478   2.751   5.206
  160   1HB   GLU  19           HB2      GLU  19  -9.551   5.483   6.511
  161   2HB   GLU  19           HB1      GLU  19 -10.925   4.435   6.180
  162   1HG   GLU  19           HG2      GLU  19  -9.390   2.724   7.619
  163   2HG   GLU  19           HG1      GLU  19  -8.882   4.250   8.336
  164    H    ALA  20           HN       ALA  20 -10.204   3.073   3.200
  165    HA   ALA  20           HA       ALA  20  -9.756   5.714   1.901
  166   1HB   ALA  20           HB1      ALA  20  -8.367   3.279   1.251
  167   2HB   ALA  20           HB3      ALA  20  -9.382   3.755  -0.107
  168   3HB   ALA  20           HB2      ALA  20  -8.183   4.875   0.531
  169    H    VAL  21           HN       VAL  21 -11.552   6.410   0.920
  170    HA   VAL  21           HA       VAL  21 -13.940   4.775   0.889
  171    HB   VAL  21           HB       VAL  21 -13.737   7.351   1.096
  172   1HG1  VAL  21          HG12      VAL  21 -12.427   7.320  -1.175
  173   2HG1  VAL  21          HG11      VAL  21 -14.028   7.235  -1.900
  174   3HG1  VAL  21          HG13      VAL  21 -13.592   8.607  -0.888
  175   1HG2  VAL  21          HG21      VAL  21 -15.750   5.758  -0.460
  176   2HG2  VAL  21          HG23      VAL  21 -15.934   6.570   1.092
  177   3HG2  VAL  21          HG22      VAL  21 -15.928   7.508  -0.398
  178    H    ASP  22           HN       ASP  22 -11.426   5.453  -1.389
  179    HA   ASP  22           HA       ASP  22 -12.768   3.644  -3.330
  180   1HB   ASP  22           HB2      ASP  22 -11.906   5.273  -5.159
  181   2HB   ASP  22           HB1      ASP  22 -13.374   5.709  -4.290
  182    H    ALA  23           HN       ALA  23 -11.194   3.072  -5.140
  183    HA   ALA  23           HA       ALA  23  -8.751   2.105  -3.914
  184   1HB   ALA  23           HB3      ALA  23 -10.167   1.767  -6.464
  185   2HB   ALA  23           HB2      ALA  23  -8.414   1.729  -6.621
  186   3HB   ALA  23           HB1      ALA  23  -9.226   0.600  -5.541
  187    H    ALA  24           HN       ALA  24  -9.562   4.689  -6.167
  188    HA   ALA  24           HA       ALA  24  -6.976   5.401  -7.029
  189   1HB   ALA  24           HB1      ALA  24  -9.589   6.708  -6.857
  190   2HB   ALA  24           HB3      ALA  24  -8.248   7.839  -6.714
  191   3HB   ALA  24           HB2      ALA  24  -8.376   6.798  -8.129
  192    H    THR  25           HN       THR  25  -8.761   6.814  -4.285
  193    HA   THR  25           HA       THR  25  -6.471   8.254  -3.312
  194    HB   THR  25           HB       THR  25  -8.886   8.784  -2.685
  195    HG1  THR  25           HG1      THR  25  -7.911   8.627  -0.270
  196   1HG2  THR  25          HG22      THR  25  -8.974   6.129  -1.861
  197   2HG2  THR  25          HG21      THR  25  -8.673   6.988  -0.357
  198   3HG2  THR  25          HG23      THR  25 -10.090   7.377  -1.326
  199    H    ALA  26           HN       ALA  26  -7.416   4.956  -3.088
  200    HA   ALA  26           HA       ALA  26  -5.928   4.355  -0.664
  201   1HB   ALA  26           HB3      ALA  26  -7.784   2.928  -1.740
  202   2HB   ALA  26           HB2      ALA  26  -6.548   2.382  -2.867
  203   3HB   ALA  26           HB1      ALA  26  -6.369   2.065  -1.144
  204    H    GLU  27           HN       GLU  27  -5.249   4.335  -4.119
  205    HA   GLU  27           HA       GLU  27  -2.619   3.171  -3.918
  206   1HB   GLU  27           HB2      GLU  27  -3.863   4.961  -6.025
  207   2HB   GLU  27           HB1      GLU  27  -2.326   4.135  -6.209
  208   1HG   GLU  27           HG2      GLU  27  -3.458   1.957  -5.894
  209   2HG   GLU  27           HG1      GLU  27  -4.998   2.790  -5.726
  210    H    LYS  28           HN       LYS  28  -3.927   6.395  -3.727
  211    HA   LYS  28           HA       LYS  28  -1.318   7.717  -3.759
  212   1HB   LYS  28           HB2      LYS  28  -3.457   8.742  -4.604
  213   2HB   LYS  28           HB1      LYS  28  -4.013   8.823  -2.939
  214   1HG   LYS  28           HG2      LYS  28  -1.892  10.145  -2.414
  215   2HG   LYS  28           HG1      LYS  28  -1.607  10.230  -4.145
  216   1HD   LYS  28           HD2      LYS  28  -4.249  11.111  -2.944
  217   2HD   LYS  28           HD1      LYS  28  -2.880  12.208  -3.037
  218   1HE   LYS  28           HE2      LYS  28  -4.225  10.799  -5.365
  219   2HE   LYS  28           HE1      LYS  28  -4.265  12.520  -5.015
  220   1HZ   LYS  28           HZ1      LYS  28  -1.605  11.866  -5.097
  221   2HZ   LYS  28           HZ3      LYS  28  -2.296  11.015  -6.394
  222   3HZ   LYS  28           HZ2      LYS  28  -2.487  12.699  -6.286
  223    H    VAL  29           HN       VAL  29  -3.822   7.073  -1.330
  224    HA   VAL  29           HA       VAL  29  -2.596   8.323   0.879
  225    HB   VAL  29           HB       VAL  29  -4.375   5.892   0.695
  226   1HG1  VAL  29          HG12      VAL  29  -3.128   7.243   3.093
  227   2HG1  VAL  29          HG11      VAL  29  -4.676   6.412   3.225
  228   3HG1  VAL  29          HG13      VAL  29  -3.236   5.521   2.742
  229   1HG2  VAL  29          HG21      VAL  29  -5.038   8.417   0.214
  230   2HG2  VAL  29          HG23      VAL  29  -6.110   7.385   1.155
  231   3HG2  VAL  29          HG22      VAL  29  -5.046   8.527   1.972
  232    H    PHE  30           HN       PHE  30  -2.385   4.882  -0.031
  233    HA   PHE  30           HA       PHE  30  -0.406   4.233   1.923
  234   1HB   PHE  30           HB2      PHE  30  -1.318   2.965  -0.640
  235   2HB   PHE  30           HB1      PHE  30   0.125   2.351   0.154
  236    HD1  PHE  30           HD1      PHE  30  -0.236   2.141   2.878
  237    HD2  PHE  30           HD2      PHE  30  -3.304   1.868  -0.072
  238    HE1  PHE  30           HE1      PHE  30  -1.653   0.898   4.453
  239    HE2  PHE  30           HE2      PHE  30  -4.693   0.613   1.509
  240    HZ   PHE  30           HZ       PHE  30  -3.867   0.097   3.758
  241    H    LYS  31           HN       LYS  31  -0.155   5.415  -1.386
  242    HA   LYS  31           HA       LYS  31   2.669   5.088  -1.664
  243   1HB   LYS  31           HB2      LYS  31   1.237   5.581  -3.588
  244   2HB   LYS  31           HB1      LYS  31   0.836   7.154  -2.907
  245   1HG   LYS  31           HG2      LYS  31   3.024   7.987  -3.232
  246   2HG   LYS  31           HG1      LYS  31   3.713   6.375  -3.375
  247   1HD   LYS  31           HD2      LYS  31   2.483   6.056  -5.514
  248   2HD   LYS  31           HD1      LYS  31   1.845   7.690  -5.376
  249   1HE   LYS  31           HE2      LYS  31   4.086   8.633  -5.482
  250   2HE   LYS  31           HE1      LYS  31   4.806   7.029  -5.431
  251   1HZ   LYS  31           HZ2      LYS  31   2.944   7.145  -7.533
  252   2HZ   LYS  31           HZ1      LYS  31   4.005   8.464  -7.664
  253   3HZ   LYS  31           HZ3      LYS  31   4.620   6.882  -7.609
  254    H    GLN  32           HN       GLN  32   0.713   7.747  -0.410
  255    HA   GLN  32           HA       GLN  32   2.846   9.587   0.028
  256   1HB   GLN  32           HB2      GLN  32   0.327  10.020   0.196
  257   2HB   GLN  32           HB1      GLN  32   0.417   9.317   1.807
  258   1HG   GLN  32           HG2      GLN  32   2.532  11.077   1.856
  259   2HG   GLN  32           HG1      GLN  32   1.376  11.942   0.846
  260   1HE2  GLN  32          HE22      GLN  32   0.733  12.572   4.541
  261   2HE2  GLN  32          HE21      GLN  32   2.150  12.645   3.610
  262    OH   TYR  33           OH       TYR  33   4.766   3.087   8.438
  263    H    TYR  33           HN       TYR  33   1.812   6.756   1.726
  264    HA   TYR  33           HA       TYR  33   3.308   7.355   4.161
  265   1HB   TYR  33           HB2      TYR  33   1.305   5.918   4.240
  266   2HB   TYR  33           HB1      TYR  33   2.098   4.756   3.181
  267    HD1  TYR  33           HD1      TYR  33   4.176   3.583   3.979
  268    HD2  TYR  33           HD2      TYR  33   1.827   5.988   6.583
  269    HE1  TYR  33           HE1      TYR  33   5.256   2.541   5.914
  270    HE2  TYR  33           HE2      TYR  33   2.909   4.945   8.520
  271    HH   TYR  33           HH       TYR  33   5.117   3.788   8.993
  272    H    ALA  34           HN       ALA  34   3.623   4.787   1.723
  273    HA   ALA  34           HA       ALA  34   6.171   3.865   2.441
  274   1HB   ALA  34           HB1      ALA  34   4.402   3.397   0.351
  275   2HB   ALA  34           HB3      ALA  34   5.838   4.015  -0.459
  276   3HB   ALA  34           HB2      ALA  34   5.955   2.598   0.580
  277    H    ASN  35           HN       ASN  35   5.253   6.776   0.793
  278    HA   ASN  35           HA       ASN  35   7.744   7.466  -0.401
  279   1HB   ASN  35           HB2      ASN  35   5.892   8.799  -1.029
  280   2HB   ASN  35           HB1      ASN  35   5.434   9.097   0.645
  281   1HD2  ASN  35          HD22      ASN  35   8.888  11.002  -0.513
  282   2HD2  ASN  35          HD21      ASN  35   8.680   9.356  -0.873
  283    H    ASP  36           HN       ASP  36   6.441   8.165   2.819
  284    HA   ASP  36           HA       ASP  36   8.634   9.709   3.768
  285   1HB   ASP  36           HB2      ASP  36   6.404   8.181   4.994
  286   2HB   ASP  36           HB1      ASP  36   7.783   8.513   6.039
  287    H    ASN  37           HN       ASN  37   8.505   6.471   2.884
  288    HA   ASN  37           HA       ASN  37  10.861   5.776   4.595
  289   1HB   ASN  37           HB2      ASN  37   9.087   3.883   3.036
  290   2HB   ASN  37           HB1      ASN  37  10.283   3.458   4.259
  291   1HD2  ASN  37          HD22      ASN  37   6.694   5.077   5.445
  292   2HD2  ASN  37          HD21      ASN  37   7.230   5.313   3.852
  293    H    GLY  38           HN       GLY  38   9.753   6.243   1.354
  294   1HA   GLY  38           HA2      GLY  38  11.283   6.700  -0.466
  295   2HA   GLY  38           HA1      GLY  38  12.529   5.796   0.390
  296    H    VAL  39           HN       VAL  39   9.611   4.172   0.540
  297    HA   VAL  39           HA       VAL  39  10.561   2.197  -1.443
  298    HB   VAL  39           HB       VAL  39   8.256   2.139   0.522
  299   1HG1  VAL  39          HG13      VAL  39   9.285   0.129  -1.494
  300   2HG1  VAL  39          HG12      VAL  39   8.378  -0.371  -0.069
  301   3HG1  VAL  39          HG11      VAL  39   7.631   0.686  -1.263
  302   1HG2  VAL  39          HG23      VAL  39  10.940   1.940   1.024
  303   2HG2  VAL  39          HG22      VAL  39   9.701   1.141   1.988
  304   3HG2  VAL  39          HG21      VAL  39  10.532   0.256   0.712
  305    H    ASP  40           HN       ASP  40  10.128   3.232  -3.413
  306    HA   ASP  40           HA       ASP  40   7.255   3.210  -4.165
  307   1HB   ASP  40           HB2      ASP  40   9.090   5.585  -4.257
  308   2HB   ASP  40           HB1      ASP  40   7.821   5.420  -5.468
  309    H    GLY  41           HN       GLY  41   6.993   2.173  -6.036
  310   1HA   GLY  41           HA2      GLY  41   8.601   2.530  -8.362
  311   2HA   GLY  41           HA1      GLY  41   9.159   1.081  -7.527
  312    H    GLU  42           HN       GLU  42   7.652  -0.652  -7.212
  313    HA   GLU  42           HA       GLU  42   5.564  -0.725  -9.343
  314   1HB   GLU  42           HB2      GLU  42   7.127  -2.827  -7.876
  315   2HB   GLU  42           HB1      GLU  42   5.660  -3.244  -8.751
  316   1HG   GLU  42           HG2      GLU  42   7.799  -3.471 -10.107
  317   2HG   GLU  42           HG1      GLU  42   6.582  -2.424 -10.832
  318    CH2  TRP  43           CH2      TRP  43   2.143   2.505  -2.098
  319    H    TRP  43           HN       TRP  43   3.456  -0.829  -8.817
  320    HA   TRP  43           HA       TRP  43   2.757  -1.355  -5.950
  321   1HB   TRP  43           HB2      TRP  43   1.804   0.767  -7.846
  322   2HB   TRP  43           HB1      TRP  43   0.803   0.266  -6.494
  323    HD1  TRP  43           HD1      TRP  43   4.407   1.485  -7.189
  324    HE1  TRP  43           HE1      TRP  43   5.110   2.815  -5.143
  325    HE3  TRP  43           HE3      TRP  43   0.421   0.667  -4.321
  326    HZ2  TRP  43           HZ2      TRP  43   4.061   3.381  -2.433
  327    HZ3  TRP  43           HZ3      TRP  43   0.253   1.518  -2.036
  328    HH2  TRP  43           HH2      TRP  43   2.065   2.879  -1.088
  329    H    THR  44           HN       THR  44   1.262  -2.855  -5.599
  330    HA   THR  44           HA       THR  44  -0.367  -3.800  -7.936
  331    HB   THR  44           HB       THR  44  -0.302  -6.068  -6.638
  332    HG1  THR  44           HG1      THR  44   0.546  -4.899  -4.772
  333   1HG2  THR  44          HG23      THR  44   1.185  -5.383  -8.693
  334   2HG2  THR  44          HG22      THR  44   2.439  -5.109  -7.489
  335   3HG2  THR  44          HG21      THR  44   1.741  -6.713  -7.682
  336    OH   TYR  45           OH       TYR  45  -8.894  -1.273  -3.228
  337    H    TYR  45           HN       TYR  45  -2.376  -4.964  -7.243
  338    HA   TYR  45           HA       TYR  45  -3.538  -3.895  -4.708
  339   1HB   TYR  45           HB2      TYR  45  -4.051  -2.466  -6.808
  340   2HB   TYR  45           HB1      TYR  45  -5.056  -3.820  -7.331
  341    HD1  TYR  45           HD1      TYR  45  -6.616  -4.699  -5.072
  342    HD2  TYR  45           HD2      TYR  45  -5.311  -0.750  -5.926
  343    HE1  TYR  45           HE1      TYR  45  -8.383  -3.810  -3.651
  344    HE2  TYR  45           HE2      TYR  45  -7.125   0.142  -4.550
  345    HH   TYR  45           HH       TYR  45  -8.946  -0.327  -3.382
  346    H    ASP  46           HN       ASP  46  -4.606  -5.460  -3.634
  347    HA   ASP  46           HA       ASP  46  -5.372  -7.934  -5.141
  348   1HB   ASP  46           HB2      ASP  46  -3.620  -7.948  -3.185
  349   2HB   ASP  46           HB1      ASP  46  -5.048  -7.872  -2.161
  350    H    ASP  47           HN       ASP  47  -7.430  -7.096  -5.723
  351    HA   ASP  47           HA       ASP  47  -9.293  -6.146  -3.701
  352   1HB   ASP  47           HB2      ASP  47  -9.610  -5.348  -5.943
  353   2HB   ASP  47           HB1      ASP  47  -9.635  -6.987  -6.587
  354    H    ALA  48           HN       ALA  48  -8.068  -9.129  -4.273
  355    HA   ALA  48           HA       ALA  48 -10.504 -10.713  -4.054
  356   1HB   ALA  48           HB2      ALA  48  -8.265 -11.443  -5.087
  357   2HB   ALA  48           HB1      ALA  48  -7.715 -11.679  -3.432
  358   3HB   ALA  48           HB3      ALA  48  -9.078 -12.608  -4.047
  359    H    THR  49           HN       THR  49  -8.303  -9.199  -1.848
  360    HA   THR  49           HA       THR  49  -9.984 -10.151   0.404
  361    HB   THR  49           HB       THR  49  -8.044 -10.910   1.723
  362    HG1  THR  49           HG1      THR  49  -6.005 -10.758   0.646
  363   1HG2  THR  49          HG21      THR  49  -8.970 -12.542  -0.030
  364   2HG2  THR  49          HG23      THR  49  -7.683 -11.987  -1.097
  365   3HG2  THR  49          HG22      THR  49  -7.285 -12.806   0.410
  366    H    LYS  50           HN       LYS  50  -9.169  -7.593  -1.102
  367    HA   LYS  50           HA       LYS  50  -8.739  -5.354  -0.538
  368   1HB   LYS  50           HB2      LYS  50  -9.607  -6.227   2.226
  369   2HB   LYS  50           HB1      LYS  50  -9.675  -4.599   1.557
  370   1HG   LYS  50           HG2      LYS  50 -11.196  -5.555  -0.265
  371   2HG   LYS  50           HG1      LYS  50 -11.293  -7.018   0.709
  372   1HD   LYS  50           HD2      LYS  50 -12.199  -5.754   2.595
  373   2HD   LYS  50           HD1      LYS  50 -11.990  -4.241   1.723
  374   1HE   LYS  50           HE2      LYS  50 -14.325  -4.965   1.551
  375   2HE   LYS  50           HE1      LYS  50 -13.561  -5.068  -0.030
  376   1HZ   LYS  50           HZ1      LYS  50 -13.093  -7.497   1.137
  377   2HZ   LYS  50           HZ3      LYS  50 -14.695  -7.130   1.565
  378   3HZ   LYS  50           HZ2      LYS  50 -14.237  -7.158  -0.070
  379    H    THR  51           HN       THR  51  -6.464  -6.481  -0.771
  380    HA   THR  51           HA       THR  51  -4.868  -5.581   1.595
  381    HB   THR  51           HB       THR  51  -4.550  -8.226   0.091
  382    HG1  THR  51           HG1      THR  51  -4.709  -8.648   2.561
  383   1HG2  THR  51          HG23      THR  51  -2.439  -6.779   1.193
  384   2HG2  THR  51          HG22      THR  51  -2.995  -7.739   2.552
  385   3HG2  THR  51          HG21      THR  51  -2.491  -8.527   1.065
  386    H    PHE  52           HN       PHE  52  -3.678  -3.907   0.798
  387    HA   PHE  52           HA       PHE  52  -3.006  -3.741  -2.038
  388   1HB   PHE  52           HB2      PHE  52  -2.983  -1.988   0.258
  389   2HB   PHE  52           HB1      PHE  52  -1.468  -1.883  -0.625
  390    HD1  PHE  52           HD1      PHE  52  -1.454  -1.198  -3.025
  391    HD2  PHE  52           HD2      PHE  52  -5.052  -1.306  -0.788
  392    HE1  PHE  52           HE1      PHE  52  -2.599   0.108  -4.770
  393    HE2  PHE  52           HE2      PHE  52  -6.144   0.118  -2.431
  394    HZ   PHE  52           HZ       PHE  52  -4.904   0.875  -4.400
  395    H    THR  53           HN       THR  53  -0.683  -3.423  -2.696
  396    HA   THR  53           HA       THR  53   1.357  -4.522  -0.911
  397    HB   THR  53           HB       THR  53   0.469  -6.085  -3.363
  398    HG1  THR  53           HG1      THR  53   0.002  -7.572  -1.723
  399   1HG2  THR  53          HG23      THR  53   3.022  -5.972  -1.914
  400   2HG2  THR  53          HG22      THR  53   2.278  -7.567  -1.823
  401   3HG2  THR  53          HG21      THR  53   2.633  -6.849  -3.391
  402    H    VAL  54           HN       VAL  54   3.298  -3.684  -1.410
  403    HA   VAL  54           HA       VAL  54   3.711  -2.616  -4.172
  404    HB   VAL  54           HB       VAL  54   3.036  -0.785  -2.566
  405   1HG1  VAL  54          HG11      VAL  54   4.220  -1.938  -0.629
  406   2HG1  VAL  54          HG13      VAL  54   5.726  -1.314  -1.291
  407   3HG1  VAL  54          HG12      VAL  54   4.473  -0.204  -0.752
  408   1HG2  VAL  54          HG22      VAL  54   5.830  -0.763  -3.741
  409   2HG2  VAL  54          HG21      VAL  54   4.362  -0.132  -4.465
  410   3HG2  VAL  54          HG23      VAL  54   5.065   0.666  -3.066
  411    H    THR  55           HN       THR  55   5.900  -2.590  -4.820
  412    HA   THR  55           HA       THR  55   7.876  -3.805  -2.962
  413    HB   THR  55           HB       THR  55   7.277  -4.958  -5.720
  414    HG1  THR  55           HG1      THR  55   6.088  -6.316  -4.578
  415   1HG2  THR  55          HG21      THR  55   9.474  -5.287  -3.755
  416   2HG2  THR  55          HG23      THR  55   8.701  -6.794  -4.241
  417   3HG2  THR  55          HG22      THR  55   9.425  -5.744  -5.451
  418    H    GLU  56           HN       GLU  56   9.618  -2.524  -3.031
  419    HA   GLU  56           HA       GLU  56  10.053  -0.545  -5.061
  420   1HB   GLU  56           HB2      GLU  56  11.105  -1.074  -2.556
  421   2HB   GLU  56           HB1      GLU  56  12.467  -1.375  -3.628
  422   1HG   GLU  56           HG2      GLU  56  10.763   1.141  -3.587
  423   2HG   GLU  56           HG1      GLU  56  12.409   1.000  -2.970
   
  Start of MODEL          45
 Raw file had 423 H/Q atoms
  Entry Start of MODEL   45
    1   1H    MET   1           HT1      MET   1 -13.972  -0.891   5.662
    2   2H    MET   1           HT3      MET   1 -14.309   0.774   5.671
    3   3H    MET   1           HT2      MET   1 -15.371  -0.304   4.898
    4    HA   MET   1           HA       MET   1 -13.686  -0.850   3.268
    5   1HB   MET   1           HB2      MET   1 -13.920   2.156   3.496
    6   2HB   MET   1           HB1      MET   1 -13.751   1.201   2.028
    7   1HG   MET   1           HG2      MET   1 -16.000   1.341   1.932
    8   2HG   MET   1           HG1      MET   1 -15.948   0.044   3.096
    9   1HE   MET   1           HE3      MET   1 -18.385   0.567   3.308
   10   2HE   MET   1           HE2      MET   1 -17.701   0.038   4.846
   11   3HE   MET   1           HE1      MET   1 -18.861   1.368   4.807
   12    H    THR   2           HN       THR   2 -11.826  -1.600   4.513
   13    HA   THR   2           HA       THR   2  -9.621   0.406   4.425
   14    HB   THR   2           HB       THR   2  -9.888  -1.569   6.717
   15    HG1  THR   2           HG1      THR   2 -10.907   1.019   6.218
   16   1HG2  THR   2          HG21      THR   2  -7.715  -0.129   6.006
   17   2HG2  THR   2          HG23      THR   2  -8.602   1.131   6.858
   18   3HG2  THR   2          HG22      THR   2  -8.157  -0.352   7.696
   19    OH   TYR   3           OH       TYR   3 -11.591   0.261  -1.091
   20    H    TYR   3           HN       TYR   3  -7.920  -0.362   3.312
   21    HA   TYR   3           HA       TYR   3  -7.837  -3.295   2.761
   22   1HB   TYR   3           HB2      TYR   3  -6.160  -1.215   1.362
   23   2HB   TYR   3           HB1      TYR   3  -6.629  -2.811   0.789
   24    HD1  TYR   3           HD1      TYR   3  -7.972   0.564   1.615
   25    HD2  TYR   3           HD2      TYR   3  -8.693  -3.133  -0.353
   26    HE1  TYR   3           HE1      TYR   3  -9.974   1.512   0.560
   27    HE2  TYR   3           HE2      TYR   3 -10.690  -2.187  -1.409
   28    HH   TYR   3           HH       TYR   3 -12.343  -0.283  -0.846
   29    H    LYS   4           HN       LYS   4  -5.508  -4.121   2.457
   30    HA   LYS   4           HA       LYS   4  -3.838  -3.144   4.741
   31   1HB   LYS   4           HB2      LYS   4  -5.010  -5.339   5.118
   32   2HB   LYS   4           HB1      LYS   4  -4.109  -5.997   3.789
   33   1HG   LYS   4           HG2      LYS   4  -2.149  -6.103   4.972
   34   2HG   LYS   4           HG1      LYS   4  -2.475  -4.615   5.846
   35   1HD   LYS   4           HD2      LYS   4  -2.556  -6.554   7.371
   36   2HD   LYS   4           HD1      LYS   4  -4.140  -5.798   7.246
   37   1HE   LYS   4           HE2      LYS   4  -5.010  -7.534   5.934
   38   2HE   LYS   4           HE1      LYS   4  -3.423  -8.034   5.366
   39   1HZ   LYS   4           HZ1      LYS   4  -3.080  -8.540   7.892
   40   2HZ   LYS   4           HZ3      LYS   4  -4.775  -8.646   7.886
   41   3HZ   LYS   4           HZ2      LYS   4  -3.858  -9.655   6.874
   42    H    LEU   5           HN       LEU   5  -2.030  -2.256   3.969
   43    HA   LEU   5           HA       LEU   5  -1.002  -2.973   1.329
   44   1HB   LEU   5           HB2      LEU   5  -0.857  -0.651   1.999
   45   2HB   LEU   5           HB1      LEU   5  -0.046  -1.077   3.498
   46    HG   LEU   5           HG       LEU   5   1.919  -1.925   2.103
   47   1HD1  LEU   5          HD13      LEU   5   0.362  -0.565  -0.118
   48   2HD1  LEU   5          HD12      LEU   5   2.024  -1.122  -0.246
   49   3HD1  LEU   5          HD11      LEU   5   0.725  -2.284  -0.028
   50   1HD2  LEU   5          HD21      LEU   5   1.739   0.389   3.132
   51   2HD2  LEU   5          HD23      LEU   5   2.820   0.267   1.748
   52   3HD2  LEU   5          HD22      LEU   5   1.214   0.961   1.552
   53    H    ILE   6           HN       ILE   6   1.024  -3.896   0.901
   54    HA   ILE   6           HA       ILE   6   2.376  -5.244   3.165
   55    HB   ILE   6           HB       ILE   6   2.076  -6.393   0.383
   56   1HG1  ILE   6          HG12      ILE   6   0.656  -7.210   2.946
   57   2HG1  ILE   6          HG11      ILE   6  -0.092  -6.270   1.663
   58   1HG2  ILE   6          HG21      ILE   6   3.884  -6.931   2.485
   59   2HG2  ILE   6          HG23      ILE   6   2.705  -8.235   2.542
   60   3HG2  ILE   6          HG22      ILE   6   3.601  -7.923   1.059
   61   1HD1  ILE   6           HD3      ILE   6   1.241  -8.808   0.822
   62   2HD1  ILE   6           HD2      ILE   6  -0.242  -8.972   1.753
   63   3HD1  ILE   6           HD1      ILE   6  -0.243  -8.080   0.239
   64    H    LEU   7           HN       LEU   7   4.167  -4.032   3.385
   65    HA   LEU   7           HA       LEU   7   5.469  -2.802   1.087
   66   1HB   LEU   7           HB2      LEU   7   6.117  -2.926   4.024
   67   2HB   LEU   7           HB1      LEU   7   7.182  -2.143   2.861
   68    HG   LEU   7           HG       LEU   7   4.323  -1.398   2.636
   69   1HD1  LEU   7          HD13      LEU   7   6.003  -0.741   5.073
   70   2HD1  LEU   7          HD12      LEU   7   4.623   0.235   4.580
   71   3HD1  LEU   7          HD11      LEU   7   4.391  -1.449   5.040
   72   1HD2  LEU   7          HD23      LEU   7   6.206  -0.375   1.337
   73   2HD2  LEU   7          HD22      LEU   7   5.320   0.811   2.290
   74   3HD2  LEU   7          HD21      LEU   7   6.884   0.223   2.847
   75    H    ASN   8           HN       ASN   8   6.676  -3.977  -0.270
   76    HA   ASN   8           HA       ASN   8   8.318  -6.199   0.863
   77   1HB   ASN   8           HB2      ASN   8   6.821  -5.792  -1.611
   78   2HB   ASN   8           HB1      ASN   8   8.463  -6.317  -1.922
   79   1HD2  ASN   8          HD22      ASN   8   5.892  -9.071  -0.976
   80   2HD2  ASN   8          HD21      ASN   8   5.582  -7.617  -1.784
   81    H    GLY   9           HN       GLY   9   9.140  -3.560   1.302
   82   1HA   GLY   9           HA2      GLY   9  10.913  -2.469  -0.612
   83   2HA   GLY   9           HA1      GLY   9  11.076  -2.235   1.122
   84    H    LYS  10           HN       LYS  10  13.087  -2.737  -1.023
   85    HA   LYS  10           HA       LYS  10  14.153  -5.366  -0.860
   86   1HB   LYS  10           HB2      LYS  10  15.105  -2.717  -1.705
   87   2HB   LYS  10           HB1      LYS  10  16.383  -3.773  -1.118
   88   1HG   LYS  10           HG2      LYS  10  15.829  -5.481  -2.709
   89   2HG   LYS  10           HG1      LYS  10  14.314  -4.692  -3.130
   90   1HD   LYS  10           HD2      LYS  10  15.350  -3.092  -4.438
   91   2HD   LYS  10           HD1      LYS  10  16.821  -3.103  -3.471
   92   1HE   LYS  10           HE2      LYS  10  16.064  -5.541  -5.066
   93   2HE   LYS  10           HE1      LYS  10  16.853  -4.187  -5.865
   94   1HZ   LYS  10           HZ2      LYS  10  18.395  -4.469  -3.717
   95   2HZ   LYS  10           HZ1      LYS  10  17.914  -6.081  -3.950
   96   3HZ   LYS  10           HZ3      LYS  10  18.695  -5.239  -5.201
   97    H    THR  11           HN       THR  11  15.291  -2.472   0.870
   98    HA   THR  11           HA       THR  11  16.576  -4.225   2.878
   99    HB   THR  11           HB       THR  11  17.245  -1.756   3.724
  100    HG1  THR  11           HG1      THR  11  16.962  -0.321   2.108
  101   1HG2  THR  11          HG23      THR  11  18.842  -3.438   2.703
  102   2HG2  THR  11          HG22      THR  11  18.311  -2.900   1.113
  103   3HG2  THR  11          HG21      THR  11  19.159  -1.787   2.181
  104    H    LEU  12           HN       LEU  12  13.558  -3.251   2.470
  105    HA   LEU  12           HA       LEU  12  13.049  -3.196   5.383
  106   1HB   LEU  12           HB2      LEU  12  13.300  -0.810   4.696
  107   2HB   LEU  12           HB1      LEU  12  12.002  -1.033   3.533
  108    HG   LEU  12           HG       LEU  12  10.464  -1.665   5.403
  109   1HD1  LEU  12          HD13      LEU  12  13.009  -1.321   6.950
  110   2HD1  LEU  12          HD12      LEU  12  11.506  -0.830   7.720
  111   3HD1  LEU  12          HD11      LEU  12  11.715  -2.491   7.179
  112   1HD2  LEU  12          HD21      LEU  12  10.641   0.689   4.609
  113   2HD2  LEU  12          HD23      LEU  12  10.244   0.602   6.323
  114   3HD2  LEU  12          HD22      LEU  12  11.887   0.984   5.817
  115    H    LYS  13           HN       LYS  13  11.028  -3.987   5.940
  116    HA   LYS  13           HA       LYS  13   9.069  -4.520   3.796
  117   1HB   LYS  13           HB2      LYS  13  10.290  -6.721   5.476
  118   2HB   LYS  13           HB1      LYS  13   8.918  -6.925   4.397
  119   1HG   LYS  13           HG2      LYS  13  10.422  -6.001   2.539
  120   2HG   LYS  13           HG1      LYS  13  11.764  -6.201   3.660
  121   1HD   LYS  13           HD2      LYS  13  10.684  -8.635   3.930
  122   2HD   LYS  13           HD1      LYS  13  10.093  -8.283   2.311
  123   1HE   LYS  13           HE2      LYS  13  12.588  -7.518   1.892
  124   2HE   LYS  13           HE1      LYS  13  12.927  -8.552   3.275
  125   1HZ   LYS  13           HZ1      LYS  13  11.450  -9.412   0.852
  126   2HZ   LYS  13           HZ3      LYS  13  13.097  -9.710   1.138
  127   3HZ   LYS  13           HZ2      LYS  13  11.922 -10.395   2.155
  128    H    GLY  14           HN       GLY  14   7.000  -4.426   4.542
  129   1HA   GLY  14           HA2      GLY  14   6.331  -5.015   7.311
  130   2HA   GLY  14           HA1      GLY  14   6.328  -3.286   6.981
  131    H    GLU  15           HN       GLU  15   4.059  -3.323   7.463
  132    HA   GLU  15           HA       GLU  15   2.380  -3.487   5.157
  133   1HB   GLU  15           HB2      GLU  15   0.919  -5.365   5.875
  134   2HB   GLU  15           HB1      GLU  15   2.550  -5.916   5.517
  135   1HG   GLU  15           HG2      GLU  15   2.695  -5.216   8.208
  136   2HG   GLU  15           HG1      GLU  15   1.097  -5.944   8.064
  137    H    THR  16           HN       THR  16   0.678  -2.152   5.513
  138    HA   THR  16           HA       THR  16  -0.317  -1.808   8.291
  139    HB   THR  16           HB       THR  16   1.482  -0.053   7.910
  140    HG1  THR  16           HG1      THR  16   0.061   0.701   9.309
  141   1HG2  THR  16          HG21      THR  16   0.328   0.221   5.400
  142   2HG2  THR  16          HG23      THR  16  -0.394   1.552   6.294
  143   3HG2  THR  16          HG22      THR  16   1.357   1.427   6.158
  144    H    THR  17           HN       THR  17  -2.416  -0.939   8.423
  145    HA   THR  17           HA       THR  17  -3.931  -1.109   5.855
  146    HB   THR  17           HB       THR  17  -5.794  -1.909   7.111
  147    HG1  THR  17           HG1      THR  17  -6.127  -1.042   9.034
  148   1HG2  THR  17          HG22      THR  17  -3.408  -3.229   7.492
  149   2HG2  THR  17          HG21      THR  17  -3.845  -2.836   9.151
  150   3HG2  THR  17          HG23      THR  17  -4.941  -3.786   8.154
  151    H    THR  18           HN       THR  18  -5.157   0.551   5.155
  152    HA   THR  18           HA       THR  18  -5.448   2.932   6.941
  153    HB   THR  18           HB       THR  18  -3.577   3.098   5.088
  154    HG1  THR  18           HG1      THR  18  -5.620   4.741   5.973
  155   1HG2  THR  18          HG23      THR  18  -5.456   2.330   3.340
  156   2HG2  THR  18          HG22      THR  18  -5.915   4.026   3.439
  157   3HG2  THR  18          HG21      THR  18  -4.297   3.581   2.904
  158    H    GLU  19           HN       GLU  19  -7.300   4.188   6.580
  159    HA   GLU  19           HA       GLU  19  -9.522   2.696   5.364
  160   1HB   GLU  19           HB2      GLU  19  -9.304   5.210   7.005
  161   2HB   GLU  19           HB1      GLU  19 -10.809   4.794   6.195
  162   1HG   GLU  19           HG2      GLU  19 -10.811   2.591   7.331
  163   2HG   GLU  19           HG1      GLU  19  -9.308   3.013   8.146
  164    H    ALA  20           HN       ALA  20 -10.291   3.035   3.381
  165    HA   ALA  20           HA       ALA  20  -9.826   5.668   2.071
  166   1HB   ALA  20           HB1      ALA  20  -8.539   3.169   1.376
  167   2HB   ALA  20           HB3      ALA  20  -9.522   3.752   0.036
  168   3HB   ALA  20           HB2      ALA  20  -8.263   4.776   0.716
  169    H    VAL  21           HN       VAL  21 -11.368   6.202   0.495
  170    HA   VAL  21           HA       VAL  21 -13.907   4.723   0.781
  171    HB   VAL  21           HB       VAL  21 -14.202   7.061   0.958
  172   1HG1  VAL  21          HG12      VAL  21 -12.368   7.202  -1.453
  173   2HG1  VAL  21          HG11      VAL  21 -13.289   8.586  -0.873
  174   3HG1  VAL  21          HG13      VAL  21 -12.071   7.845   0.158
  175   1HG2  VAL  21          HG21      VAL  21 -15.636   5.746  -0.814
  176   2HG2  VAL  21          HG23      VAL  21 -15.740   7.503  -0.764
  177   3HG2  VAL  21          HG22      VAL  21 -14.746   6.714  -1.985
  178    H    ASP  22           HN       ASP  22 -11.419   5.298  -1.584
  179    HA   ASP  22           HA       ASP  22 -12.764   3.352  -3.389
  180   1HB   ASP  22           HB2      ASP  22 -12.245   4.792  -5.353
  181   2HB   ASP  22           HB1      ASP  22 -13.391   5.557  -4.253
  182    H    ALA  23           HN       ALA  23 -11.264   2.545  -5.080
  183    HA   ALA  23           HA       ALA  23  -8.742   1.799  -3.904
  184   1HB   ALA  23           HB2      ALA  23 -10.094   1.359  -6.532
  185   2HB   ALA  23           HB1      ALA  23  -8.364   1.050  -6.428
  186   3HB   ALA  23           HB3      ALA  23  -9.478   0.178  -5.381
  187    H    ALA  24           HN       ALA  24  -9.758   4.450  -5.836
  188    HA   ALA  24           HA       ALA  24  -7.182   5.092  -6.993
  189   1HB   ALA  24           HB3      ALA  24  -9.682   5.953  -7.492
  190   2HB   ALA  24           HB2      ALA  24  -9.135   7.269  -6.459
  191   3HB   ALA  24           HB1      ALA  24  -8.256   6.887  -7.936
  192    H    THR  25           HN       THR  25  -9.013   6.550  -4.303
  193    HA   THR  25           HA       THR  25  -6.882   8.249  -3.438
  194    HB   THR  25           HB       THR  25  -9.414   8.307  -2.748
  195    HG1  THR  25           HG1      THR  25  -7.111   8.644  -1.131
  196   1HG2  THR  25          HG23      THR  25  -9.006   5.887  -1.648
  197   2HG2  THR  25          HG22      THR  25  -8.389   6.869  -0.323
  198   3HG2  THR  25          HG21      THR  25 -10.052   7.069  -0.868
  199    H    ALA  26           HN       ALA  26  -7.450   4.874  -3.033
  200    HA   ALA  26           HA       ALA  26  -5.786   4.543  -0.671
  201   1HB   ALA  26           HB1      ALA  26  -7.540   2.900  -1.336
  202   2HB   ALA  26           HB3      ALA  26  -6.571   2.479  -2.745
  203   3HB   ALA  26           HB2      ALA  26  -5.960   2.152  -1.127
  204    H    GLU  27           HN       GLU  27  -5.296   4.449  -4.137
  205    HA   GLU  27           HA       GLU  27  -2.668   3.325  -4.137
  206   1HB   GLU  27           HB2      GLU  27  -4.301   4.946  -6.037
  207   2HB   GLU  27           HB1      GLU  27  -2.572   4.839  -6.336
  208   1HG   GLU  27           HG2      GLU  27  -2.719   2.360  -6.262
  209   2HG   GLU  27           HG1      GLU  27  -4.454   2.482  -5.987
  210    H    LYS  28           HN       LYS  28  -3.780   6.700  -4.073
  211    HA   LYS  28           HA       LYS  28  -1.050   7.726  -3.919
  212   1HB   LYS  28           HB2      LYS  28  -2.099   9.914  -3.689
  213   2HB   LYS  28           HB1      LYS  28  -2.894   9.010  -4.973
  214   1HG   LYS  28           HG2      LYS  28  -4.554   8.233  -3.161
  215   2HG   LYS  28           HG1      LYS  28  -3.879   9.512  -2.160
  216   1HD   LYS  28           HD2      LYS  28  -4.292  10.956  -4.373
  217   2HD   LYS  28           HD1      LYS  28  -5.515   9.722  -4.656
  218   1HE   LYS  28           HE2      LYS  28  -6.137  10.188  -2.132
  219   2HE   LYS  28           HE1      LYS  28  -5.322  11.718  -2.418
  220   1HZ   LYS  28           HZ3      LYS  28  -6.897  11.476  -4.590
  221   2HZ   LYS  28           HZ2      LYS  28  -7.865  10.785  -3.378
  222   3HZ   LYS  28           HZ1      LYS  28  -7.283  12.371  -3.199
  223    H    VAL  29           HN       VAL  29  -3.655   7.091  -1.634
  224    HA   VAL  29           HA       VAL  29  -2.530   8.439   0.615
  225    HB   VAL  29           HB       VAL  29  -4.358   6.051   0.388
  226   1HG1  VAL  29          HG13      VAL  29  -3.192   7.401   2.823
  227   2HG1  VAL  29          HG12      VAL  29  -4.760   6.603   2.892
  228   3HG1  VAL  29          HG11      VAL  29  -3.318   5.679   2.486
  229   1HG2  VAL  29          HG21      VAL  29  -4.894   8.628  -0.118
  230   2HG2  VAL  29          HG23      VAL  29  -6.070   7.586   0.678
  231   3HG2  VAL  29          HG22      VAL  29  -5.069   8.674   1.634
  232    H    PHE  30           HN       PHE  30  -2.487   4.933  -0.028
  233    HA   PHE  30           HA       PHE  30  -0.556   4.278   1.928
  234   1HB   PHE  30           HB2      PHE  30  -1.452   3.009  -0.631
  235   2HB   PHE  30           HB1      PHE  30   0.004   2.389   0.138
  236    HD1  PHE  30           HD1      PHE  30  -0.310   2.170   2.859
  237    HD2  PHE  30           HD2      PHE  30  -3.430   1.913  -0.034
  238    HE1  PHE  30           HE1      PHE  30  -1.700   0.916   4.454
  239    HE2  PHE  30           HE2      PHE  30  -4.795   0.651   1.564
  240    HZ   PHE  30           HZ       PHE  30  -3.927   0.126   3.798
  241    H    LYS  31           HN       LYS  31  -0.169   5.476  -1.351
  242    HA   LYS  31           HA       LYS  31   2.649   5.050  -1.569
  243   1HB   LYS  31           HB2      LYS  31   1.229   5.626  -3.500
  244   2HB   LYS  31           HB1      LYS  31   0.949   7.223  -2.813
  245   1HG   LYS  31           HG2      LYS  31   3.287   7.800  -3.003
  246   2HG   LYS  31           HG1      LYS  31   3.713   6.148  -3.437
  247   1HD   LYS  31           HD2      LYS  31   2.849   6.344  -5.588
  248   2HD   LYS  31           HD1      LYS  31   1.688   7.581  -5.120
  249   1HE   LYS  31           HE2      LYS  31   3.254   9.294  -5.247
  250   2HE   LYS  31           HE1      LYS  31   4.605   8.226  -4.894
  251   1HZ   LYS  31           HZ3      LYS  31   3.418   7.403  -7.292
  252   2HZ   LYS  31           HZ2      LYS  31   3.688   9.077  -7.382
  253   3HZ   LYS  31           HZ1      LYS  31   4.978   8.026  -7.043
  254    H    GLN  32           HN       GLN  32   0.742   7.690  -0.228
  255    HA   GLN  32           HA       GLN  32   2.865   9.523   0.238
  256   1HB   GLN  32           HB2      GLN  32   0.462  10.086   0.508
  257   2HB   GLN  32           HB1      GLN  32   0.399   9.063   1.939
  258   1HG   GLN  32           HG2      GLN  32   2.051  10.464   3.068
  259   2HG   GLN  32           HG1      GLN  32   2.273  11.432   1.613
  260   1HE2  GLN  32          HE22      GLN  32  -0.584  13.421   2.177
  261   2HE2  GLN  32          HE21      GLN  32   0.722  13.066   1.153
  262    OH   TYR  33           OH       TYR  33   5.076   2.733   8.362
  263    H    TYR  33           HN       TYR  33   1.840   6.651   1.921
  264    HA   TYR  33           HA       TYR  33   3.413   7.111   4.311
  265   1HB   TYR  33           HB2      TYR  33   1.483   5.552   4.264
  266   2HB   TYR  33           HB1      TYR  33   2.374   4.509   3.162
  267    HD1  TYR  33           HD1      TYR  33   4.469   3.392   3.926
  268    HD2  TYR  33           HD2      TYR  33   2.012   5.576   6.622
  269    HE1  TYR  33           HE1      TYR  33   5.595   2.321   5.818
  270    HE2  TYR  33           HE2      TYR  33   3.138   4.502   8.518
  271    HH   TYR  33           HH       TYR  33   5.775   2.175   8.014
  272    H    ALA  34           HN       ALA  34   3.840   4.699   1.734
  273    HA   ALA  34           HA       ALA  34   6.408   3.836   2.318
  274   1HB   ALA  34           HB3      ALA  34   4.894   4.181  -0.226
  275   2HB   ALA  34           HB2      ALA  34   6.619   3.850  -0.350
  276   3HB   ALA  34           HB1      ALA  34   5.563   2.717   0.489
  277    H    ASN  35           HN       ASN  35   5.455   6.875   0.859
  278    HA   ASN  35           HA       ASN  35   7.967   7.754  -0.109
  279   1HB   ASN  35           HB2      ASN  35   5.857   8.969  -0.520
  280   2HB   ASN  35           HB1      ASN  35   5.784   9.417   1.182
  281   1HD2  ASN  35          HD22      ASN  35   9.234  10.976  -0.123
  282   2HD2  ASN  35          HD21      ASN  35   9.020   9.325   0.209
  283    H    ASP  36           HN       ASP  36   6.585   7.913   3.137
  284    HA   ASP  36           HA       ASP  36   8.681   9.461   4.321
  285   1HB   ASP  36           HB2      ASP  36   6.526   7.659   5.327
  286   2HB   ASP  36           HB1      ASP  36   7.846   8.042   6.430
  287    H    ASN  37           HN       ASN  37   8.936   6.582   2.820
  288    HA   ASN  37           HA       ASN  37  11.274   5.756   4.501
  289   1HB   ASN  37           HB2      ASN  37   9.263   3.992   3.082
  290   2HB   ASN  37           HB1      ASN  37  10.762   3.402   3.794
  291   1HD2  ASN  37          HD22      ASN  37   7.620   4.395   6.198
  292   2HD2  ASN  37          HD21      ASN  37   7.569   4.718   4.532
  293    H    GLY  38           HN       GLY  38   9.878   6.161   1.331
  294   1HA   GLY  38           HA2      GLY  38  11.235   6.823  -0.572
  295   2HA   GLY  38           HA1      GLY  38  12.617   6.030   0.175
  296    H    VAL  39           HN       VAL  39   9.597   4.369   0.197
  297    HA   VAL  39           HA       VAL  39  10.729   2.374  -1.687
  298    HB   VAL  39           HB       VAL  39   8.312   2.235   0.134
  299   1HG1  VAL  39          HG13      VAL  39   9.509   0.376  -1.895
  300   2HG1  VAL  39          HG12      VAL  39   8.820  -0.315  -0.430
  301   3HG1  VAL  39          HG11      VAL  39   7.815   0.654  -1.503
  302   1HG2  VAL  39          HG21      VAL  39  10.787   2.299   1.038
  303   2HG2  VAL  39          HG23      VAL  39   9.674   1.080   1.653
  304   3HG2  VAL  39          HG22      VAL  39  10.855   0.652   0.419
  305    H    ASP  40           HN       ASP  40  10.355   3.741  -3.560
  306    HA   ASP  40           HA       ASP  40   7.489   3.705  -4.443
  307   1HB   ASP  40           HB2      ASP  40   9.473   5.672  -5.537
  308   2HB   ASP  40           HB1      ASP  40   7.719   5.804  -5.436
  309    H    GLY  41           HN       GLY  41   7.190   2.303  -6.044
  310   1HA   GLY  41           HA2      GLY  41   8.913   2.270  -8.381
  311   2HA   GLY  41           HA1      GLY  41   9.120   0.823  -7.398
  312    H    GLU  42           HN       GLU  42   7.605  -0.765  -7.497
  313    HA   GLU  42           HA       GLU  42   5.408  -0.370  -9.470
  314   1HB   GLU  42           HB2      GLU  42   6.480  -2.907  -8.228
  315   2HB   GLU  42           HB1      GLU  42   5.299  -2.819  -9.527
  316   1HG   GLU  42           HG2      GLU  42   8.072  -1.603  -9.730
  317   2HG   GLU  42           HG1      GLU  42   7.690  -3.228 -10.294
  318    CH2  TRP  43           CH2      TRP  43   2.120   2.491  -2.090
  319    H    TRP  43           HN       TRP  43   3.271  -0.749  -8.939
  320    HA   TRP  43           HA       TRP  43   2.690  -1.252  -6.044
  321   1HB   TRP  43           HB2      TRP  43   1.675   0.893  -7.877
  322   2HB   TRP  43           HB1      TRP  43   0.698   0.359  -6.519
  323    HD1  TRP  43           HD1      TRP  43   4.276   1.624  -7.254
  324    HE1  TRP  43           HE1      TRP  43   5.024   2.888  -5.183
  325    HE3  TRP  43           HE3      TRP  43   0.355   0.716  -4.328
  326    HZ2  TRP  43           HZ2      TRP  43   4.027   3.379  -2.439
  327    HZ3  TRP  43           HZ3      TRP  43   0.231   1.499  -2.019
  328    HH2  TRP  43           HH2      TRP  43   2.062   2.836  -1.068
  329    H    THR  44           HN       THR  44   1.184  -2.741  -5.641
  330    HA   THR  44           HA       THR  44  -0.481  -3.710  -7.942
  331    HB   THR  44           HB       THR  44  -0.370  -5.966  -6.601
  332    HG1  THR  44           HG1      THR  44   1.832  -4.432  -5.644
  333   1HG2  THR  44          HG21      THR  44   1.966  -4.690  -8.054
  334   2HG2  THR  44          HG23      THR  44   2.064  -6.335  -7.431
  335   3HG2  THR  44          HG22      THR  44   0.870  -5.928  -8.660
  336    OH   TYR  45           OH       TYR  45  -8.967  -1.364  -3.102
  337    H    TYR  45           HN       TYR  45  -2.428  -4.959  -7.173
  338    HA   TYR  45           HA       TYR  45  -3.583  -3.894  -4.640
  339   1HB   TYR  45           HB2      TYR  45  -4.150  -2.479  -6.736
  340   2HB   TYR  45           HB1      TYR  45  -5.135  -3.852  -7.240
  341    HD1  TYR  45           HD1      TYR  45  -6.639  -4.752  -4.949
  342    HD2  TYR  45           HD2      TYR  45  -5.434  -0.780  -5.852
  343    HE1  TYR  45           HE1      TYR  45  -8.406  -3.891  -3.512
  344    HE2  TYR  45           HE2      TYR  45  -7.253   0.078  -4.466
  345    HH   TYR  45           HH       TYR  45  -9.801  -1.593  -3.520
  346    H    ASP  46           HN       ASP  46  -4.605  -5.486  -3.554
  347    HA   ASP  46           HA       ASP  46  -5.301  -7.988  -5.048
  348   1HB   ASP  46           HB2      ASP  46  -3.568  -7.947  -3.084
  349   2HB   ASP  46           HB1      ASP  46  -4.999  -7.869  -2.062
  350    H    ASP  47           HN       ASP  47  -7.371  -7.140  -5.657
  351    HA   ASP  47           HA       ASP  47  -9.276  -6.266  -3.645
  352   1HB   ASP  47           HB2      ASP  47  -9.293  -5.689  -6.143
  353   2HB   ASP  47           HB1      ASP  47  -9.966  -7.297  -6.397
  354    H    ALA  48           HN       ALA  48  -7.946  -9.175  -4.037
  355    HA   ALA  48           HA       ALA  48 -10.351 -10.846  -3.929
  356   1HB   ALA  48           HB3      ALA  48  -8.202 -11.626  -4.944
  357   2HB   ALA  48           HB2      ALA  48  -7.477 -11.597  -3.339
  358   3HB   ALA  48           HB1      ALA  48  -8.802 -12.704  -3.687
  359    H    THR  49           HN       THR  49  -8.193  -9.311  -1.677
  360    HA   THR  49           HA       THR  49  -9.926 -10.256   0.540
  361    HB   THR  49           HB       THR  49  -7.595 -10.568   1.833
  362    HG1  THR  49           HG1      THR  49  -7.154 -10.804  -0.961
  363   1HG2  THR  49          HG23      THR  49  -8.624 -12.577  -0.213
  364   2HG2  THR  49          HG22      THR  49  -7.562 -12.955   1.140
  365   3HG2  THR  49          HG21      THR  49  -9.218 -12.435   1.438
  366    H    LYS  50           HN       LYS  50  -9.102  -7.709  -0.973
  367    HA   LYS  50           HA       LYS  50  -8.775  -5.455  -0.422
  368   1HB   LYS  50           HB2      LYS  50  -9.497  -6.252   2.399
  369   2HB   LYS  50           HB1      LYS  50  -9.764  -4.700   1.609
  370   1HG   LYS  50           HG2      LYS  50 -11.138  -6.208  -0.109
  371   2HG   LYS  50           HG1      LYS  50 -11.260  -7.277   1.284
  372   1HD   LYS  50           HD2      LYS  50 -11.945  -5.108   2.580
  373   2HD   LYS  50           HD1      LYS  50 -12.280  -4.458   0.979
  374   1HE   LYS  50           HE2      LYS  50 -13.517  -6.844   0.736
  375   2HE   LYS  50           HE1      LYS  50 -13.674  -6.628   2.475
  376   1HZ   LYS  50           HZ1      LYS  50 -14.369  -4.434   0.641
  377   2HZ   LYS  50           HZ3      LYS  50 -15.475  -5.690   0.928
  378   3HZ   LYS  50           HZ2      LYS  50 -14.925  -4.731   2.219
  379    H    THR  51           HN       THR  51  -6.461  -6.482  -0.696
  380    HA   THR  51           HA       THR  51  -4.866  -5.517   1.635
  381    HB   THR  51           HB       THR  51  -4.569  -8.194   0.208
  382    HG1  THR  51           HG1      THR  51  -5.485  -8.737   2.029
  383   1HG2  THR  51          HG23      THR  51  -2.297  -7.068   0.590
  384   2HG2  THR  51          HG22      THR  51  -2.707  -6.993   2.291
  385   3HG2  THR  51          HG21      THR  51  -2.538  -8.548   1.501
  386    H    PHE  52           HN       PHE  52  -3.703  -3.832   0.829
  387    HA   PHE  52           HA       PHE  52  -3.092  -3.646  -2.016
  388   1HB   PHE  52           HB2      PHE  52  -3.063  -1.900   0.279
  389   2HB   PHE  52           HB1      PHE  52  -1.556  -1.769  -0.614
  390    HD1  PHE  52           HD1      PHE  52  -1.590  -1.119  -3.040
  391    HD2  PHE  52           HD2      PHE  52  -5.140  -1.216  -0.719
  392    HE1  PHE  52           HE1      PHE  52  -2.773   0.176  -4.770
  393    HE2  PHE  52           HE2      PHE  52  -6.274   0.185  -2.361
  394    HZ   PHE  52           HZ       PHE  52  -5.078   0.929  -4.366
  395    H    THR  53           HN       THR  53  -0.764  -3.255  -2.703
  396    HA   THR  53           HA       THR  53   1.307  -4.355  -0.956
  397    HB   THR  53           HB       THR  53   0.429  -5.899  -3.422
  398    HG1  THR  53           HG1      THR  53   0.037  -7.426  -1.759
  399   1HG2  THR  53          HG21      THR  53   2.945  -5.838  -1.850
  400   2HG2  THR  53          HG23      THR  53   2.215  -7.436  -1.987
  401   3HG2  THR  53          HG22      THR  53   2.650  -6.540  -3.439
  402    H    VAL  54           HN       VAL  54   3.302  -3.656  -1.535
  403    HA   VAL  54           HA       VAL  54   3.645  -2.481  -4.259
  404    HB   VAL  54           HB       VAL  54   3.068  -0.686  -2.556
  405   1HG1  VAL  54          HG11      VAL  54   4.363  -1.928  -0.732
  406   2HG1  VAL  54          HG13      VAL  54   5.824  -1.271  -1.460
  407   3HG1  VAL  54          HG12      VAL  54   4.602  -0.188  -0.803
  408   1HG2  VAL  54          HG23      VAL  54   5.796  -0.686  -3.882
  409   2HG2  VAL  54          HG22      VAL  54   4.299  -0.026  -4.521
  410   3HG2  VAL  54          HG21      VAL  54   5.081   0.744  -3.150
  411    H    THR  55           HN       THR  55   5.825  -2.504  -4.971
  412    HA   THR  55           HA       THR  55   7.778  -3.892  -3.199
  413    HB   THR  55           HB       THR  55   7.400  -4.765  -6.081
  414    HG1  THR  55           HG1      THR  55   6.267  -5.831  -3.699
  415   1HG2  THR  55          HG22      THR  55   9.204  -5.489  -3.977
  416   2HG2  THR  55          HG21      THR  55   8.037  -6.801  -4.134
  417   3HG2  THR  55          HG23      THR  55   8.992  -6.300  -5.520
  418    H    GLU  56           HN       GLU  56   9.557  -2.653  -3.167
  419    HA   GLU  56           HA       GLU  56  10.067  -0.536  -5.017
  420   1HB   GLU  56           HB2      GLU  56  11.093  -1.249  -2.590
  421   2HB   GLU  56           HB1      GLU  56  12.421  -1.688  -3.655
  422   1HG   GLU  56           HG2      GLU  56  11.041   1.019  -3.571
  423   2HG   GLU  56           HG1      GLU  56  12.641   0.661  -2.927
   
  Start of MODEL          46
 Raw file had 423 H/Q atoms
  Entry Start of MODEL   46
    1   1H    MET   1           HT1      MET   1 -13.225  -2.136   5.211
    2   2H    MET   1           HT3      MET   1 -14.015  -1.055   6.256
    3   3H    MET   1           HT2      MET   1 -14.881  -1.818   5.011
    4    HA   MET   1           HA       MET   1 -13.793  -0.599   3.344
    5   1HB   MET   1           HB2      MET   1 -15.563   0.656   4.533
    6   2HB   MET   1           HB1      MET   1 -14.367   1.252   5.678
    7   1HG   MET   1           HG2      MET   1 -13.588   2.798   4.241
    8   2HG   MET   1           HG1      MET   1 -13.564   1.678   2.907
    9   1HE   MET   1           HE1      MET   1 -15.629   3.884   5.146
   10   2HE   MET   1           HE3      MET   1 -17.099   4.249   4.244
   11   3HE   MET   1           HE2      MET   1 -16.858   2.640   4.925
   12    H    THR   2           HN       THR   2 -11.666  -1.803   4.682
   13    HA   THR   2           HA       THR   2  -9.638   0.352   4.450
   14    HB   THR   2           HB       THR   2  -9.734  -1.531   6.846
   15    HG1  THR   2           HG1      THR   2 -10.768   0.102   7.769
   16   1HG2  THR   2          HG21      THR   2  -7.544  -0.212   5.802
   17   2HG2  THR   2          HG23      THR   2  -8.213   1.006   6.882
   18   3HG2  THR   2          HG22      THR   2  -7.752  -0.571   7.512
   19    OH   TYR   3           OH       TYR   3 -11.713   0.333  -0.853
   20    H    TYR   3           HN       TYR   3  -7.888  -0.330   3.333
   21    HA   TYR   3           HA       TYR   3  -7.698  -3.258   2.759
   22   1HB   TYR   3           HB2      TYR   3  -6.151  -1.136   1.291
   23   2HB   TYR   3           HB1      TYR   3  -6.643  -2.727   0.730
   24    HD1  TYR   3           HD1      TYR   3  -8.040   0.580   1.781
   25    HD2  TYR   3           HD2      TYR   3  -8.675  -2.989  -0.427
   26    HE1  TYR   3           HE1      TYR   3 -10.105   1.520   0.849
   27    HE2  TYR   3           HE2      TYR   3 -10.729  -2.048  -1.373
   28    HH   TYR   3           HH       TYR   3 -11.687   0.216  -1.806
   29    H    LYS   4           HN       LYS   4  -5.586  -4.254   2.750
   30    HA   LYS   4           HA       LYS   4  -3.811  -3.068   4.844
   31   1HB   LYS   4           HB2      LYS   4  -4.965  -5.489   4.862
   32   2HB   LYS   4           HB1      LYS   4  -3.533  -5.899   3.933
   33   1HG   LYS   4           HG2      LYS   4  -2.312  -4.523   5.872
   34   2HG   LYS   4           HG1      LYS   4  -3.743  -5.003   6.778
   35   1HD   LYS   4           HD2      LYS   4  -1.880  -6.875   5.282
   36   2HD   LYS   4           HD1      LYS   4  -1.968  -6.692   7.030
   37   1HE   LYS   4           HE2      LYS   4  -3.415  -8.471   6.826
   38   2HE   LYS   4           HE1      LYS   4  -4.573  -7.182   6.524
   39   1HZ   LYS   4           HZ3      LYS   4  -3.262  -7.815   4.125
   40   2HZ   LYS   4           HZ2      LYS   4  -3.837  -9.252   4.824
   41   3HZ   LYS   4           HZ1      LYS   4  -4.908  -7.973   4.509
   42    H    LEU   5           HN       LEU   5  -1.859  -2.336   4.230
   43    HA   LEU   5           HA       LEU   5  -0.964  -2.898   1.471
   44   1HB   LEU   5           HB2      LEU   5  -0.813  -0.587   2.162
   45   2HB   LEU   5           HB1      LEU   5   0.011  -1.016   3.651
   46    HG   LEU   5           HG       LEU   5   1.978  -1.819   2.244
   47   1HD1  LEU   5          HD12      LEU   5   0.352  -0.511   0.040
   48   2HD1  LEU   5          HD11      LEU   5   2.036  -0.991  -0.112
   49   3HD1  LEU   5          HD13      LEU   5   0.792  -2.212   0.122
   50   1HD2  LEU   5          HD23      LEU   5   1.751   0.496   3.271
   51   2HD2  LEU   5          HD22      LEU   5   2.842   0.383   1.896
   52   3HD2  LEU   5          HD21      LEU   5   1.231   1.050   1.686
   53    H    ILE   6           HN       ILE   6   1.137  -3.737   1.013
   54    HA   ILE   6           HA       ILE   6   2.554  -5.054   3.239
   55    HB   ILE   6           HB       ILE   6   2.081  -6.386   0.573
   56   1HG1  ILE   6          HG12      ILE   6   0.622  -6.705   3.215
   57   2HG1  ILE   6          HG11      ILE   6  -0.076  -6.186   1.686
   58   1HG2  ILE   6          HG21      ILE   6   3.985  -6.863   2.502
   59   2HG2  ILE   6          HG23      ILE   6   2.697  -7.958   2.990
   60   3HG2  ILE   6          HG22      ILE   6   3.385  -8.073   1.374
   61   1HD1  ILE   6           HD2      ILE   6   1.108  -8.571   0.979
   62   2HD1  ILE   6           HD1      ILE   6   0.572  -8.907   2.623
   63   3HD1  ILE   6           HD3      ILE   6  -0.587  -8.389   1.406
   64    H    LEU   7           HN       LEU   7   4.316  -3.755   3.238
   65    HA   LEU   7           HA       LEU   7   5.540  -2.854   0.749
   66   1HB   LEU   7           HB2      LEU   7   6.415  -2.619   3.629
   67   2HB   LEU   7           HB1      LEU   7   7.258  -1.869   2.277
   68    HG   LEU   7           HG       LEU   7   4.370  -1.354   2.243
   69   1HD1  LEU   7          HD11      LEU   7   6.055  -0.359   4.566
   70   2HD1  LEU   7          HD13      LEU   7   4.460   0.259   4.148
   71   3HD1  LEU   7          HD12      LEU   7   4.644  -1.409   4.679
   72   1HD2  LEU   7          HD23      LEU   7   6.136  -0.206   0.870
   73   2HD2  LEU   7          HD22      LEU   7   5.157   0.918   1.808
   74   3HD2  LEU   7          HD21      LEU   7   6.778   0.495   2.353
   75    H    ASN   8           HN       ASN   8   6.811  -4.084  -0.455
   76    HA   ASN   8           HA       ASN   8   8.358  -6.262   0.869
   77   1HB   ASN   8           HB2      ASN   8   6.930  -5.999  -1.641
   78   2HB   ASN   8           HB1      ASN   8   8.589  -6.478  -1.936
   79   1HD2  ASN   8          HD22      ASN   8   6.099  -9.275  -0.874
   80   2HD2  ASN   8          HD21      ASN   8   5.732  -7.853  -1.713
   81    H    GLY   9           HN       GLY   9   9.210  -3.605   1.182
   82   1HA   GLY   9           HA2      GLY   9  11.062  -2.597  -0.659
   83   2HA   GLY   9           HA1      GLY   9  11.226  -2.397   1.078
   84    H    LYS  10           HN       LYS  10  13.142  -3.018  -1.191
   85    HA   LYS  10           HA       LYS  10  14.144  -5.661  -0.952
   86   1HB   LYS  10           HB2      LYS  10  14.875  -4.030  -2.682
   87   2HB   LYS  10           HB1      LYS  10  15.733  -3.128  -1.439
   88   1HG   LYS  10           HG2      LYS  10  17.151  -5.064  -0.957
   89   2HG   LYS  10           HG1      LYS  10  16.242  -6.047  -2.100
   90   1HD   LYS  10           HD2      LYS  10  17.238  -5.076  -3.927
   91   2HD   LYS  10           HD1      LYS  10  17.329  -3.493  -3.163
   92   1HE   LYS  10           HE2      LYS  10  19.559  -4.735  -3.537
   93   2HE   LYS  10           HE1      LYS  10  19.275  -4.076  -1.931
   94   1HZ   LYS  10           HZ1      LYS  10  18.411  -6.817  -2.497
   95   2HZ   LYS  10           HZ3      LYS  10  20.065  -6.521  -2.252
   96   3HZ   LYS  10           HZ2      LYS  10  18.943  -6.128  -1.038
   97    H    THR  11           HN       THR  11  14.752  -2.765   0.950
   98    HA   THR  11           HA       THR  11  16.244  -4.440   2.925
   99    HB   THR  11           HB       THR  11  17.137  -1.980   3.529
  100    HG1  THR  11           HG1      THR  11  17.233  -0.875   1.478
  101   1HG2  THR  11          HG21      THR  11  18.531  -3.919   2.616
  102   2HG2  THR  11          HG23      THR  11  18.077  -3.380   1.002
  103   3HG2  THR  11          HG22      THR  11  19.034  -2.332   2.044
  104    H    LEU  12           HN       LEU  12  13.328  -3.099   2.415
  105    HA   LEU  12           HA       LEU  12  12.888  -2.782   5.340
  106   1HB   LEU  12           HB2      LEU  12  13.352  -0.514   4.222
  107   2HB   LEU  12           HB1      LEU  12  11.796  -0.724   3.426
  108    HG   LEU  12           HG       LEU  12  10.965  -1.264   5.889
  109   1HD1  LEU  12          HD11      LEU  12  13.561  -0.884   6.519
  110   2HD1  LEU  12          HD13      LEU  12  13.007   0.782   6.641
  111   3HD1  LEU  12          HD12      LEU  12  12.262  -0.468   7.630
  112   1HD2  LEU  12          HD21      LEU  12  11.611   1.526   4.874
  113   2HD2  LEU  12          HD23      LEU  12  10.149   0.607   4.527
  114   3HD2  LEU  12          HD22      LEU  12  10.468   1.170   6.166
  115    H    LYS  13           HN       LYS  13  11.599  -4.574   5.442
  116    HA   LYS  13           HA       LYS  13   9.217  -4.674   3.652
  117   1HB   LYS  13           HB2      LYS  13  10.384  -6.793   5.467
  118   2HB   LYS  13           HB1      LYS  13   9.004  -7.015   4.401
  119   1HG   LYS  13           HG2      LYS  13  10.335  -7.277   2.585
  120   2HG   LYS  13           HG1      LYS  13  11.303  -5.868   3.003
  121   1HD   LYS  13           HD2      LYS  13  12.568  -7.201   4.644
  122   2HD   LYS  13           HD1      LYS  13  11.578  -8.610   4.280
  123   1HE   LYS  13           HE2      LYS  13  12.328  -8.333   1.845
  124   2HE   LYS  13           HE1      LYS  13  13.519  -7.185   2.444
  125   1HZ   LYS  13           HZ1      LYS  13  13.873  -9.266   4.096
  126   2HZ   LYS  13           HZ3      LYS  13  13.462 -10.058   2.651
  127   3HZ   LYS  13           HZ2      LYS  13  14.780  -8.988   2.688
  128    H    GLY  14           HN       GLY  14   7.357  -3.920   4.460
  129   1HA   GLY  14           HA2      GLY  14   6.722  -4.432   7.307
  130   2HA   GLY  14           HA1      GLY  14   6.740  -2.750   6.788
  131    H    GLU  15           HN       GLU  15   4.478  -2.770   7.439
  132    HA   GLU  15           HA       GLU  15   2.703  -3.100   5.206
  133   1HB   GLU  15           HB2      GLU  15   1.223  -4.802   6.611
  134   2HB   GLU  15           HB1      GLU  15   2.489  -5.388   5.544
  135   1HG   GLU  15           HG2      GLU  15   2.438  -6.329   7.960
  136   2HG   GLU  15           HG1      GLU  15   3.991  -5.779   7.344
  137    H    THR  16           HN       THR  16   0.537  -2.350   5.722
  138    HA   THR  16           HA       THR  16  -0.203  -1.521   8.376
  139    HB   THR  16           HB       THR  16   1.678   0.168   7.745
  140    HG1  THR  16           HG1      THR  16  -0.665   0.283   8.969
  141   1HG2  THR  16          HG21      THR  16   0.341   0.491   5.406
  142   2HG2  THR  16          HG23      THR  16  -0.507   1.680   6.387
  143   3HG2  THR  16          HG22      THR  16   1.234   1.806   6.160
  144    H    THR  17           HN       THR  17  -2.299  -0.638   8.447
  145    HA   THR  17           HA       THR  17  -3.798  -0.963   5.884
  146    HB   THR  17           HB       THR  17  -5.682  -1.628   7.183
  147    HG1  THR  17           HG1      THR  17  -5.752   0.077   8.585
  148   1HG2  THR  17          HG22      THR  17  -3.295  -2.930   7.725
  149   2HG2  THR  17          HG21      THR  17  -3.817  -2.439   9.331
  150   3HG2  THR  17          HG23      THR  17  -4.862  -3.447   8.335
  151    H    THR  18           HN       THR  18  -5.178   0.608   5.146
  152    HA   THR  18           HA       THR  18  -5.299   3.165   6.687
  153    HB   THR  18           HB       THR  18  -3.587   3.119   4.678
  154    HG1  THR  18           HG1      THR  18  -5.725   4.938   5.130
  155   1HG2  THR  18          HG22      THR  18  -5.603   2.206   3.173
  156   2HG2  THR  18          HG21      THR  18  -6.055   3.907   3.147
  157   3HG2  THR  18          HG23      THR  18  -4.488   3.403   2.523
  158    H    GLU  19           HN       GLU  19  -7.197   4.339   6.442
  159    HA   GLU  19           HA       GLU  19  -9.498   2.774   5.495
  160   1HB   GLU  19           HB2      GLU  19  -9.159   5.373   6.974
  161   2HB   GLU  19           HB1      GLU  19 -10.724   4.922   6.307
  162   1HG   GLU  19           HG2      GLU  19 -10.955   3.090   7.734
  163   2HG   GLU  19           HG1      GLU  19  -9.215   2.898   7.935
  164    H    ALA  20           HN       ALA  20 -10.179   2.878   3.457
  165    HA   ALA  20           HA       ALA  20 -10.072   5.497   2.041
  166   1HB   ALA  20           HB2      ALA  20  -8.506   3.119   1.409
  167   2HB   ALA  20           HB1      ALA  20  -9.498   3.638   0.050
  168   3HB   ALA  20           HB3      ALA  20  -8.352   4.754   0.780
  169    H    VAL  21           HN       VAL  21 -11.842   5.892   0.804
  170    HA   VAL  21           HA       VAL  21 -14.036   3.938   0.942
  171    HB   VAL  21           HB       VAL  21 -14.662   6.215   1.340
  172   1HG1  VAL  21          HG12      VAL  21 -12.829   6.679  -0.946
  173   2HG1  VAL  21          HG11      VAL  21 -14.258   7.707  -0.909
  174   3HG1  VAL  21          HG13      VAL  21 -13.148   7.692   0.458
  175   1HG2  VAL  21          HG23      VAL  21 -16.084   4.743  -0.258
  176   2HG2  VAL  21          HG22      VAL  21 -16.411   6.473  -0.245
  177   3HG2  VAL  21          HG21      VAL  21 -15.453   5.769  -1.543
  178    H    ASP  22           HN       ASP  22 -11.673   5.001  -1.329
  179    HA   ASP  22           HA       ASP  22 -12.812   3.119  -3.333
  180   1HB   ASP  22           HB2      ASP  22 -12.609   4.695  -5.137
  181   2HB   ASP  22           HB1      ASP  22 -13.512   5.503  -3.858
  182    H    ALA  23           HN       ALA  23 -11.197   2.680  -5.098
  183    HA   ALA  23           HA       ALA  23  -8.660   1.986  -3.891
  184   1HB   ALA  23           HB1      ALA  23  -9.829   1.750  -6.651
  185   2HB   ALA  23           HB3      ALA  23  -8.127   1.393  -6.375
  186   3HB   ALA  23           HB2      ALA  23  -9.368   0.470  -5.534
  187    H    ALA  24           HN       ALA  24  -9.773   4.562  -5.991
  188    HA   ALA  24           HA       ALA  24  -7.269   5.522  -6.917
  189   1HB   ALA  24           HB2      ALA  24  -9.877   6.312  -7.209
  190   2HB   ALA  24           HB1      ALA  24  -9.224   7.611  -6.216
  191   3HB   ALA  24           HB3      ALA  24  -8.489   7.238  -7.772
  192    H    THR  25           HN       THR  25  -9.147   6.739  -4.141
  193    HA   THR  25           HA       THR  25  -7.031   8.396  -3.161
  194    HB   THR  25           HB       THR  25  -9.498   8.565  -2.484
  195    HG1  THR  25           HG1      THR  25  -8.711   9.550  -0.748
  196   1HG2  THR  25          HG22      THR  25  -9.192   5.927  -1.689
  197   2HG2  THR  25          HG21      THR  25  -8.931   6.801  -0.183
  198   3HG2  THR  25          HG23      THR  25 -10.435   7.008  -1.072
  199    H    ALA  26           HN       ALA  26  -7.627   5.005  -2.920
  200    HA   ALA  26           HA       ALA  26  -5.972   4.562  -0.572
  201   1HB   ALA  26           HB2      ALA  26  -7.755   2.980  -1.376
  202   2HB   ALA  26           HB1      ALA  26  -6.704   2.571  -2.728
  203   3HB   ALA  26           HB3      ALA  26  -6.198   2.211  -1.079
  204    H    GLU  27           HN       GLU  27  -5.466   4.532  -4.051
  205    HA   GLU  27           HA       GLU  27  -2.838   3.425  -4.050
  206   1HB   GLU  27           HB2      GLU  27  -4.322   5.235  -5.948
  207   2HB   GLU  27           HB1      GLU  27  -2.666   4.743  -6.259
  208   1HG   GLU  27           HG2      GLU  27  -3.376   2.350  -6.055
  209   2HG   GLU  27           HG1      GLU  27  -5.040   2.895  -5.865
  210    H    LYS  28           HN       LYS  28  -3.934   6.818  -3.974
  211    HA   LYS  28           HA       LYS  28  -1.179   7.780  -3.795
  212   1HB   LYS  28           HB2      LYS  28  -2.243  10.018  -3.498
  213   2HB   LYS  28           HB1      LYS  28  -2.803   9.172  -4.933
  214   1HG   LYS  28           HG2      LYS  28  -4.930   9.134  -4.168
  215   2HG   LYS  28           HG1      LYS  28  -4.423   8.480  -2.617
  216   1HD   LYS  28           HD2      LYS  28  -3.780  10.745  -1.864
  217   2HD   LYS  28           HD1      LYS  28  -4.264  11.403  -3.422
  218   1HE   LYS  28           HE2      LYS  28  -6.574  10.693  -3.046
  219   2HE   LYS  28           HE1      LYS  28  -6.116   9.916  -1.535
  220   1HZ   LYS  28           HZ3      LYS  28  -5.836  12.814  -2.098
  221   2HZ   LYS  28           HZ2      LYS  28  -7.106  12.113  -1.214
  222   3HZ   LYS  28           HZ1      LYS  28  -5.516  12.035  -0.623
  223    H    VAL  29           HN       VAL  29  -3.690   6.940  -1.548
  224    HA   VAL  29           HA       VAL  29  -2.653   8.414   0.704
  225    HB   VAL  29           HB       VAL  29  -4.466   6.030   0.422
  226   1HG1  VAL  29          HG13      VAL  29  -3.188   7.159   2.910
  227   2HG1  VAL  29          HG12      VAL  29  -4.781   6.414   2.981
  228   3HG1  VAL  29          HG11      VAL  29  -3.391   5.472   2.452
  229   1HG2  VAL  29          HG21      VAL  29  -5.008   8.625   0.120
  230   2HG2  VAL  29          HG23      VAL  29  -6.152   7.551   0.920
  231   3HG2  VAL  29          HG22      VAL  29  -5.086   8.573   1.879
  232    H    PHE  30           HN       PHE  30  -2.434   4.938  -0.077
  233    HA   PHE  30           HA       PHE  30  -0.486   4.358   1.921
  234   1HB   PHE  30           HB2      PHE  30  -1.342   3.020  -0.625
  235   2HB   PHE  30           HB1      PHE  30   0.098   2.442   0.199
  236    HD1  PHE  30           HD1      PHE  30  -0.310   2.294   2.932
  237    HD2  PHE  30           HD2      PHE  30  -3.309   1.888  -0.072
  238    HE1  PHE  30           HE1      PHE  30  -1.739   1.061   4.506
  239    HE2  PHE  30           HE2      PHE  30  -4.702   0.638   1.509
  240    HZ   PHE  30           HZ       PHE  30  -3.914   0.192   3.787
  241    H    LYS  31           HN       LYS  31  -0.160   5.303  -1.479
  242    HA   LYS  31           HA       LYS  31   2.657   5.070  -1.699
  243   1HB   LYS  31           HB2      LYS  31   1.079   5.576  -3.584
  244   2HB   LYS  31           HB1      LYS  31   0.930   7.215  -2.956
  245   1HG   LYS  31           HG2      LYS  31   3.390   7.512  -3.182
  246   2HG   LYS  31           HG1      LYS  31   3.515   5.889  -3.850
  247   1HD   LYS  31           HD2      LYS  31   1.582   7.813  -5.114
  248   2HD   LYS  31           HD1      LYS  31   3.297   8.001  -5.455
  249   1HE   LYS  31           HE2      LYS  31   3.436   5.985  -6.584
  250   2HE   LYS  31           HE1      LYS  31   2.153   5.244  -5.638
  251   1HZ   LYS  31           HZ2      LYS  31   0.595   6.787  -6.806
  252   2HZ   LYS  31           HZ1      LYS  31   1.876   7.193  -7.846
  253   3HZ   LYS  31           HZ3      LYS  31   1.305   5.594  -7.786
  254    H    GLN  32           HN       GLN  32   0.650   7.503  -0.214
  255    HA   GLN  32           HA       GLN  32   2.686   9.493   0.151
  256   1HB   GLN  32           HB2      GLN  32   0.138   9.740   0.441
  257   2HB   GLN  32           HB1      GLN  32   0.360   9.015   2.028
  258   1HG   GLN  32           HG2      GLN  32   1.888  11.469   1.086
  259   2HG   GLN  32           HG1      GLN  32   0.403  11.551   2.028
  260   1HE2  GLN  32          HE22      GLN  32   2.045   9.919   4.901
  261   2HE2  GLN  32          HE21      GLN  32   0.641   9.692   3.975
  262    OH   TYR  33           OH       TYR  33   5.325   2.710   8.155
  263    H    TYR  33           HN       TYR  33   1.726   6.634   1.924
  264    HA   TYR  33           HA       TYR  33   3.328   7.172   4.270
  265   1HB   TYR  33           HB2      TYR  33   1.464   5.576   4.344
  266   2HB   TYR  33           HB1      TYR  33   2.281   4.552   3.165
  267    HD1  TYR  33           HD1      TYR  33   4.480   3.487   3.778
  268    HD2  TYR  33           HD2      TYR  33   2.096   5.511   6.660
  269    HE1  TYR  33           HE1      TYR  33   5.730   2.393   5.578
  270    HE2  TYR  33           HE2      TYR  33   3.346   4.414   8.463
  271    HH   TYR  33           HH       TYR  33   5.355   1.770   7.966
  272    H    ALA  34           HN       ALA  34   3.788   4.822   1.638
  273    HA   ALA  34           HA       ALA  34   6.391   3.998   2.236
  274   1HB   ALA  34           HB1      ALA  34   4.913   4.348  -0.355
  275   2HB   ALA  34           HB3      ALA  34   6.604   3.862  -0.373
  276   3HB   ALA  34           HB2      ALA  34   5.411   2.860   0.444
  277    H    ASN  35           HN       ASN  35   5.304   7.006   0.860
  278    HA   ASN  35           HA       ASN  35   7.768   7.963  -0.196
  279   1HB   ASN  35           HB2      ASN  35   5.358   8.975  -0.311
  280   2HB   ASN  35           HB1      ASN  35   5.816   9.789   1.182
  281   1HD2  ASN  35          HD22      ASN  35   7.407  10.998  -2.361
  282   2HD2  ASN  35          HD21      ASN  35   6.368   9.659  -2.280
  283    H    ASP  36           HN       ASP  36   6.446   8.000   3.065
  284    HA   ASP  36           HA       ASP  36   8.725   9.526   4.112
  285   1HB   ASP  36           HB2      ASP  36   6.231   8.333   5.280
  286   2HB   ASP  36           HB1      ASP  36   7.553   8.790   6.351
  287    H    ASN  37           HN       ASN  37   9.004   6.818   2.808
  288    HA   ASN  37           HA       ASN  37  10.676   5.617   4.961
  289   1HB   ASN  37           HB2      ASN  37   8.544   4.222   3.344
  290   2HB   ASN  37           HB1      ASN  37   9.867   3.334   4.097
  291   1HD2  ASN  37          HD22      ASN  37   6.884   4.895   6.406
  292   2HD2  ASN  37          HD21      ASN  37   6.980   5.270   4.754
  293    H    GLY  38           HN       GLY  38   9.925   5.966   1.559
  294   1HA   GLY  38           HA2      GLY  38  11.661   6.248  -0.108
  295   2HA   GLY  38           HA1      GLY  38  12.770   5.369   0.941
  296    H    VAL  39           HN       VAL  39   9.564   4.711  -0.475
  297    HA   VAL  39           HA       VAL  39  10.710   2.289  -1.769
  298    HB   VAL  39           HB       VAL  39   8.313   2.320   0.080
  299   1HG1  VAL  39          HG12      VAL  39   9.243   0.364  -2.014
  300   2HG1  VAL  39          HG11      VAL  39   8.416  -0.222  -0.574
  301   3HG1  VAL  39          HG13      VAL  39   7.606   0.904  -1.658
  302   1HG2  VAL  39          HG22      VAL  39  10.946   0.802   0.101
  303   2HG2  VAL  39          HG21      VAL  39  10.501   2.106   1.196
  304   3HG2  VAL  39          HG23      VAL  39   9.640   0.571   1.260
  305    H    ASP  40           HN       ASP  40  10.427   3.213  -3.798
  306    HA   ASP  40           HA       ASP  40   7.584   3.438  -4.678
  307   1HB   ASP  40           HB2      ASP  40   9.775   5.469  -4.989
  308   2HB   ASP  40           HB1      ASP  40   8.503   5.360  -6.203
  309    H    GLY  41           HN       GLY  41   7.310   1.932  -6.192
  310   1HA   GLY  41           HA2      GLY  41   8.998   1.857  -8.551
  311   2HA   GLY  41           HA1      GLY  41   9.263   0.454  -7.520
  312    H    GLU  42           HN       GLU  42   7.801  -1.185  -7.554
  313    HA   GLU  42           HA       GLU  42   5.598  -0.946  -9.532
  314   1HB   GLU  42           HB2      GLU  42   6.696  -3.369  -8.100
  315   2HB   GLU  42           HB1      GLU  42   5.512  -3.397  -9.401
  316   1HG   GLU  42           HG2      GLU  42   7.109  -2.500 -10.976
  317   2HG   GLU  42           HG1      GLU  42   8.268  -2.162  -9.693
  318    CH2  TRP  43           CH2      TRP  43   2.413   2.420  -2.313
  319    H    TRP  43           HN       TRP  43   3.480  -1.104  -8.979
  320    HA   TRP  43           HA       TRP  43   2.853  -1.519  -6.077
  321   1HB   TRP  43           HB2      TRP  43   1.896   0.563  -8.016
  322   2HB   TRP  43           HB1      TRP  43   0.915   0.123  -6.629
  323    HD1  TRP  43           HD1      TRP  43   4.524   1.246  -7.440
  324    HE1  TRP  43           HE1      TRP  43   5.315   2.597  -5.437
  325    HE3  TRP  43           HE3      TRP  43   0.589   0.606  -4.466
  326    HZ2  TRP  43           HZ2      TRP  43   4.340   3.247  -2.708
  327    HZ3  TRP  43           HZ3      TRP  43   0.499   1.489  -2.192
  328    HH2  TRP  43           HH2      TRP  43   2.374   2.798  -1.304
  329    H    THR  44           HN       THR  44   1.302  -2.959  -5.635
  330    HA   THR  44           HA       THR  44  -0.395  -3.934  -7.908
  331    HB   THR  44           HB       THR  44  -0.279  -6.192  -6.574
  332    HG1  THR  44           HG1      THR  44   0.809  -4.801  -4.873
  333   1HG2  THR  44          HG23      THR  44   1.706  -4.929  -8.373
  334   2HG2  THR  44          HG22      THR  44   2.368  -6.219  -7.373
  335   3HG2  THR  44          HG21      THR  44   1.013  -6.547  -8.450
  336    OH   TYR  45           OH       TYR  45  -8.943  -1.196  -3.207
  337    H    TYR  45           HN       TYR  45  -2.479  -4.584  -7.426
  338    HA   TYR  45           HA       TYR  45  -3.538  -3.757  -4.742
  339   1HB   TYR  45           HB2      TYR  45  -4.085  -2.288  -6.799
  340   2HB   TYR  45           HB1      TYR  45  -5.080  -3.636  -7.352
  341    HD1  TYR  45           HD1      TYR  45  -6.614  -4.575  -5.070
  342    HD2  TYR  45           HD2      TYR  45  -5.382  -0.597  -5.918
  343    HE1  TYR  45           HE1      TYR  45  -8.390  -3.721  -3.640
  344    HE2  TYR  45           HE2      TYR  45  -7.207   0.255  -4.535
  345    HH   TYR  45           HH       TYR  45  -9.280  -1.923  -2.680
  346    H    ASP  46           HN       ASP  46  -4.559  -5.356  -3.674
  347    HA   ASP  46           HA       ASP  46  -5.308  -7.819  -5.202
  348   1HB   ASP  46           HB2      ASP  46  -3.587  -7.817  -3.222
  349   2HB   ASP  46           HB1      ASP  46  -5.027  -7.749  -2.214
  350    H    ASP  47           HN       ASP  47  -7.378  -7.053  -5.812
  351    HA   ASP  47           HA       ASP  47  -9.276  -6.104  -3.822
  352   1HB   ASP  47           HB2      ASP  47  -9.645  -5.344  -6.049
  353   2HB   ASP  47           HB1      ASP  47  -9.540  -6.978  -6.702
  354    H    ALA  48           HN       ALA  48  -8.026  -9.104  -4.497
  355    HA   ALA  48           HA       ALA  48 -10.349 -10.777  -4.261
  356   1HB   ALA  48           HB2      ALA  48  -7.806 -11.291  -4.903
  357   2HB   ALA  48           HB1      ALA  48  -7.725 -11.715  -3.195
  358   3HB   ALA  48           HB3      ALA  48  -8.863 -12.542  -4.255
  359    H    THR  49           HN       THR  49  -8.257  -9.213  -1.926
  360    HA   THR  49           HA       THR  49 -10.189  -9.965   0.202
  361    HB   THR  49           HB       THR  49  -8.215 -10.541   1.730
  362    HG1  THR  49           HG1      THR  49  -6.269 -10.732   0.687
  363   1HG2  THR  49          HG22      THR  49  -9.566 -12.235   0.113
  364   2HG2  THR  49          HG21      THR  49  -7.985 -12.338  -0.656
  365   3HG2  THR  49          HG23      THR  49  -8.167 -12.771   1.040
  366    H    LYS  50           HN       LYS  50  -9.234  -7.511  -1.324
  367    HA   LYS  50           HA       LYS  50  -8.808  -5.260  -0.842
  368   1HB   LYS  50           HB2      LYS  50 -10.132  -6.268   1.663
  369   2HB   LYS  50           HB1      LYS  50  -9.558  -4.607   1.569
  370   1HG   LYS  50           HG2      LYS  50 -11.945  -4.828   0.869
  371   2HG   LYS  50           HG1      LYS  50 -10.923  -4.212  -0.424
  372   1HD   LYS  50           HD2      LYS  50 -10.895  -6.305  -1.551
  373   2HD   LYS  50           HD1      LYS  50 -11.477  -7.169  -0.132
  374   1HE   LYS  50           HE2      LYS  50 -13.658  -6.634  -0.546
  375   2HE   LYS  50           HE1      LYS  50 -13.258  -5.003  -1.071
  376   1HZ   LYS  50           HZ1      LYS  50 -12.240  -6.337  -3.081
  377   2HZ   LYS  50           HZ3      LYS  50 -13.418  -7.470  -2.619
  378   3HZ   LYS  50           HZ2      LYS  50 -13.878  -5.890  -3.039
  379    H    THR  51           HN       THR  51  -6.532  -6.298  -0.969
  380    HA   THR  51           HA       THR  51  -5.035  -5.386   1.452
  381    HB   THR  51           HB       THR  51  -4.894  -8.095   0.097
  382    HG1  THR  51           HG1      THR  51  -4.586  -7.309   2.792
  383   1HG2  THR  51          HG21      THR  51  -2.659  -6.537   1.325
  384   2HG2  THR  51          HG23      THR  51  -2.859  -8.192   1.871
  385   3HG2  THR  51          HG22      THR  51  -2.580  -7.852   0.167
  386    H    PHE  52           HN       PHE  52  -3.749  -3.745   0.734
  387    HA   PHE  52           HA       PHE  52  -3.035  -3.537  -2.088
  388   1HB   PHE  52           HB2      PHE  52  -3.050  -1.811   0.231
  389   2HB   PHE  52           HB1      PHE  52  -1.533  -1.679  -0.648
  390    HD1  PHE  52           HD1      PHE  52  -1.541  -0.991  -3.061
  391    HD2  PHE  52           HD2      PHE  52  -5.122  -1.125  -0.789
  392    HE1  PHE  52           HE1      PHE  52  -2.706   0.336  -4.784
  393    HE2  PHE  52           HE2      PHE  52  -6.235   0.296  -2.425
  394    HZ   PHE  52           HZ       PHE  52  -5.015   1.070  -4.403
  395    H    THR  53           HN       THR  53  -0.733  -3.276  -2.752
  396    HA   THR  53           HA       THR  53   1.300  -4.347  -0.934
  397    HB   THR  53           HB       THR  53   0.440  -5.925  -3.388
  398    HG1  THR  53           HG1      THR  53  -0.754  -6.682  -1.793
  399   1HG2  THR  53          HG23      THR  53   2.892  -5.952  -1.666
  400   2HG2  THR  53          HG22      THR  53   2.172  -7.511  -2.054
  401   3HG2  THR  53          HG21      THR  53   2.718  -6.447  -3.346
  402    H    VAL  54           HN       VAL  54   3.402  -3.948  -1.641
  403    HA   VAL  54           HA       VAL  54   3.784  -2.778  -4.330
  404    HB   VAL  54           HB       VAL  54   3.121  -0.877  -2.828
  405   1HG1  VAL  54          HG13      VAL  54   4.100  -1.898  -0.768
  406   2HG1  VAL  54          HG12      VAL  54   5.706  -1.521  -1.384
  407   3HG1  VAL  54          HG11      VAL  54   4.578  -0.224  -1.009
  408   1HG2  VAL  54          HG22      VAL  54   5.956  -0.949  -3.893
  409   2HG2  VAL  54          HG21      VAL  54   4.533  -0.270  -4.662
  410   3HG2  VAL  54          HG23      VAL  54   5.227   0.508  -3.250
  411    H    THR  55           HN       THR  55   6.001  -2.766  -4.944
  412    HA   THR  55           HA       THR  55   7.925  -4.005  -3.048
  413    HB   THR  55           HB       THR  55   7.335  -5.191  -5.793
  414    HG1  THR  55           HG1      THR  55   7.086  -6.569  -3.407
  415   1HG2  THR  55          HG21      THR  55   9.525  -5.501  -3.838
  416   2HG2  THR  55          HG23      THR  55   8.698  -7.014  -4.200
  417   3HG2  THR  55          HG22      THR  55   9.432  -6.079  -5.496
  418    H    GLU  56           HN       GLU  56   9.616  -2.656  -3.083
  419    HA   GLU  56           HA       GLU  56  10.163  -0.764  -5.135
  420   1HB   GLU  56           HB2      GLU  56  11.199  -1.345  -2.621
  421   2HB   GLU  56           HB1      GLU  56  12.554  -1.639  -3.702
  422   1HG   GLU  56           HG2      GLU  56  10.867   0.889  -3.638
  423   2HG   GLU  56           HG1      GLU  56  12.497   0.730  -2.988
   
  Start of MODEL          47
 Raw file had 423 H/Q atoms
  Entry Start of MODEL   47
    1   1H    MET   1           HT3      MET   1 -12.930   1.476   2.076
    2   2H    MET   1           HT2      MET   1 -13.646   0.146   1.298
    3   3H    MET   1           HT1      MET   1 -14.555   1.087   2.381
    4    HA   MET   1           HA       MET   1 -13.746   0.077   4.188
    5   1HB   MET   1           HB2      MET   1 -13.001  -1.890   2.009
    6   2HB   MET   1           HB1      MET   1 -13.013  -2.285   3.724
    7   1HG   MET   1           HG2      MET   1 -15.122  -2.939   2.678
    8   2HG   MET   1           HG1      MET   1 -15.373  -1.695   3.873
    9   1HE   MET   1           HE3      MET   1 -17.769  -1.433   3.106
   10   2HE   MET   1           HE2      MET   1 -16.946   0.041   3.620
   11   3HE   MET   1           HE1      MET   1 -18.016   0.070   2.219
   12    H    THR   2           HN       THR   2 -11.790  -1.192   5.150
   13    HA   THR   2           HA       THR   2  -9.401   0.461   4.566
   14    HB   THR   2           HB       THR   2  -9.756  -1.505   6.857
   15    HG1  THR   2           HG1      THR   2 -11.122  -0.065   7.590
   16   1HG2  THR   2          HG21      THR   2  -7.533  -0.070   6.103
   17   2HG2  THR   2          HG23      THR   2  -8.359   1.096   7.131
   18   3HG2  THR   2          HG22      THR   2  -7.905  -0.478   7.775
   19    OH   TYR   3           OH       TYR   3 -11.473   0.381  -1.026
   20    H    TYR   3           HN       TYR   3  -7.861  -0.318   3.276
   21    HA   TYR   3           HA       TYR   3  -7.740  -3.255   2.826
   22   1HB   TYR   3           HB2      TYR   3  -6.052  -1.223   1.375
   23   2HB   TYR   3           HB1      TYR   3  -6.572  -2.810   0.828
   24    HD1  TYR   3           HD1      TYR   3  -7.870   0.581   1.709
   25    HD2  TYR   3           HD2      TYR   3  -8.603  -3.053  -0.365
   26    HE1  TYR   3           HE1      TYR   3  -9.861   1.570   0.673
   27    HE2  TYR   3           HE2      TYR   3 -10.587  -2.063  -1.407
   28    HH   TYR   3           HH       TYR   3 -12.243  -0.102  -0.721
   29    H    LYS   4           HN       LYS   4  -5.391  -4.058   2.489
   30    HA   LYS   4           HA       LYS   4  -3.733  -3.067   4.777
   31   1HB   LYS   4           HB2      LYS   4  -4.819  -5.303   5.131
   32   2HB   LYS   4           HB1      LYS   4  -3.919  -5.905   3.757
   33   1HG   LYS   4           HG2      LYS   4  -1.821  -5.586   4.837
   34   2HG   LYS   4           HG1      LYS   4  -2.528  -4.573   6.087
   35   1HD   LYS   4           HD2      LYS   4  -3.463  -6.385   7.219
   36   2HD   LYS   4           HD1      LYS   4  -3.534  -7.382   5.770
   37   1HE   LYS   4           HE2      LYS   4  -1.093  -7.632   5.788
   38   2HE   LYS   4           HE1      LYS   4  -0.971  -6.559   7.176
   39   1HZ   LYS   4           HZ2      LYS   4  -2.395  -9.160   7.140
   40   2HZ   LYS   4           HZ1      LYS   4  -0.862  -8.884   7.815
   41   3HZ   LYS   4           HZ3      LYS   4  -2.232  -8.132   8.480
   42    H    LEU   5           HN       LEU   5  -1.945  -2.117   4.014
   43    HA   LEU   5           HA       LEU   5  -0.937  -2.791   1.358
   44   1HB   LEU   5           HB2      LEU   5  -0.816  -0.476   2.016
   45   2HB   LEU   5           HB1      LEU   5  -0.004  -0.875   3.522
   46    HG   LEU   5           HG       LEU   5   1.981  -1.687   2.150
   47   1HD1  LEU   5          HD12      LEU   5   0.363  -0.451  -0.101
   48   2HD1  LEU   5          HD11      LEU   5   2.055  -0.909  -0.224
   49   3HD1  LEU   5          HD13      LEU   5   0.831  -2.142   0.026
   50   1HD2  LEU   5          HD21      LEU   5   1.725   0.652   3.116
   51   2HD2  LEU   5          HD23      LEU   5   2.829   0.515   1.751
   52   3HD2  LEU   5          HD22      LEU   5   1.209   1.165   1.513
   53    H    ILE   6           HN       ILE   6   1.091  -3.691   0.910
   54    HA   ILE   6           HA       ILE   6   2.495  -5.008   3.150
   55    HB   ILE   6           HB       ILE   6   1.599  -6.167   0.531
   56   1HG1  ILE   6          HG12      ILE   6   1.665  -7.249   3.371
   57   2HG1  ILE   6          HG11      ILE   6   0.272  -6.452   2.658
   58   1HG2  ILE   6          HG23      ILE   6   4.054  -6.835   2.147
   59   2HG2  ILE   6          HG22      ILE   6   3.211  -8.114   1.287
   60   3HG2  ILE   6          HG21      ILE   6   3.874  -6.753   0.399
   61   1HD1  ILE   6           HD1      ILE   6   0.787  -8.324   0.739
   62   2HD1  ILE   6           HD3      ILE   6   1.333  -9.183   2.174
   63   3HD1  ILE   6           HD2      ILE   6  -0.318  -8.590   2.080
   64    H    LEU   7           HN       LEU   7   4.271  -3.761   3.273
   65    HA   LEU   7           HA       LEU   7   5.543  -2.666   0.887
   66   1HB   LEU   7           HB2      LEU   7   6.178  -2.610   3.826
   67   2HB   LEU   7           HB1      LEU   7   7.313  -1.982   2.637
   68    HG   LEU   7           HG       LEU   7   4.492  -1.103   2.319
   69   1HD1  LEU   7          HD13      LEU   7   6.248  -0.283   4.654
   70   2HD1  LEU   7          HD12      LEU   7   4.891   0.684   4.089
   71   3HD1  LEU   7          HD11      LEU   7   4.614  -0.934   4.723
   72   1HD2  LEU   7          HD22      LEU   7   6.645  -0.399   1.024
   73   2HD2  LEU   7          HD21      LEU   7   5.528   0.868   1.521
   74   3HD2  LEU   7          HD23      LEU   7   6.998   0.577   2.446
   75    H    ASN   8           HN       ASN   8   6.672  -3.969  -0.417
   76    HA   ASN   8           HA       ASN   8   8.320  -6.126   0.824
   77   1HB   ASN   8           HB2      ASN   8   6.736  -5.890  -1.607
   78   2HB   ASN   8           HB1      ASN   8   8.363  -6.425  -1.963
   79   1HD2  ASN   8          HD22      ASN   8   5.869  -9.126  -0.722
   80   2HD2  ASN   8          HD21      ASN   8   5.510  -7.733  -1.611
   81    H    GLY   9           HN       GLY   9   9.222  -3.527   1.108
   82   1HA   GLY   9           HA2      GLY   9  10.951  -2.589  -0.940
   83   2HA   GLY   9           HA1      GLY   9  11.134  -2.209   0.764
   84    H    LYS  10           HN       LYS  10  13.095  -2.921  -1.382
   85    HA   LYS  10           HA       LYS  10  14.146  -5.544  -0.814
   86   1HB   LYS  10           HB2      LYS  10  14.804  -3.330  -2.510
   87   2HB   LYS  10           HB1      LYS  10  16.255  -3.830  -1.646
   88   1HG   LYS  10           HG2      LYS  10  15.900  -6.158  -2.355
   89   2HG   LYS  10           HG1      LYS  10  14.407  -5.699  -3.167
   90   1HD   LYS  10           HD2      LYS  10  15.647  -4.232  -4.688
   91   2HD   LYS  10           HD1      LYS  10  17.147  -4.579  -3.837
   92   1HE   LYS  10           HE2      LYS  10  16.784  -7.026  -4.386
   93   2HE   LYS  10           HE1      LYS  10  15.444  -6.530  -5.412
   94   1HZ   LYS  10           HZ1      LYS  10  17.140  -5.001  -6.500
   95   2HZ   LYS  10           HZ3      LYS  10  18.317  -5.954  -5.731
   96   3HZ   LYS  10           HZ2      LYS  10  17.243  -6.661  -6.840
   97    H    THR  11           HN       THR  11  14.880  -2.313   0.401
   98    HA   THR  11           HA       THR  11  16.809  -3.469   2.331
   99    HB   THR  11           HB       THR  11  16.934  -0.839   2.876
  100    HG1  THR  11           HG1      THR  11  15.048  -0.756   1.338
  101   1HG2  THR  11          HG23      THR  11  18.058  -2.399   0.557
  102   2HG2  THR  11          HG22      THR  11  18.322  -0.659   0.614
  103   3HG2  THR  11          HG21      THR  11  18.917  -1.684   1.917
  104    H    LEU  12           HN       LEU  12  13.564  -3.026   2.181
  105    HA   LEU  12           HA       LEU  12  13.308  -3.183   5.096
  106   1HB   LEU  12           HB2      LEU  12  13.513  -0.686   4.452
  107   2HB   LEU  12           HB1      LEU  12  11.896  -0.871   3.782
  108    HG   LEU  12           HG       LEU  12  11.558  -2.067   6.209
  109   1HD1  LEU  12          HD12      LEU  12  13.964  -1.381   6.749
  110   2HD1  LEU  12          HD11      LEU  12  13.397   0.285   6.735
  111   3HD1  LEU  12          HD13      LEU  12  12.748  -0.854   7.909
  112   1HD2  LEU  12          HD23      LEU  12  11.362   0.901   5.582
  113   2HD2  LEU  12          HD22      LEU  12  10.131  -0.309   5.229
  114   3HD2  LEU  12          HD21      LEU  12  10.524   0.088   6.900
  115    H    LYS  13           HN       LYS  13  11.256  -3.875   5.767
  116    HA   LYS  13           HA       LYS  13   9.208  -4.310   3.663
  117   1HB   LYS  13           HB2      LYS  13  10.217  -6.522   5.469
  118   2HB   LYS  13           HB1      LYS  13   8.946  -6.667   4.264
  119   1HG   LYS  13           HG2      LYS  13  10.611  -6.001   2.505
  120   2HG   LYS  13           HG1      LYS  13  11.866  -6.027   3.739
  121   1HD   LYS  13           HD2      LYS  13  11.233  -8.422   4.229
  122   2HD   LYS  13           HD1      LYS  13  10.151  -8.366   2.842
  123   1HE   LYS  13           HE2      LYS  13  11.899  -8.856   1.502
  124   2HE   LYS  13           HE1      LYS  13  12.644  -7.330   1.959
  125   1HZ   LYS  13           HZ2      LYS  13  13.245  -8.786   4.079
  126   2HZ   LYS  13           HZ1      LYS  13  13.184 -10.021   2.914
  127   3HZ   LYS  13           HZ3      LYS  13  14.238  -8.706   2.704
  128    H    GLY  14           HN       GLY  14   7.178  -3.989   4.421
  129   1HA   GLY  14           HA2      GLY  14   6.591  -4.351   7.281
  130   2HA   GLY  14           HA1      GLY  14   6.509  -2.687   6.715
  131    H    GLU  15           HN       GLU  15   4.241  -2.919   7.417
  132    HA   GLU  15           HA       GLU  15   2.482  -3.306   5.191
  133   1HB   GLU  15           HB2      GLU  15   1.227  -5.258   5.970
  134   2HB   GLU  15           HB1      GLU  15   2.910  -5.703   5.728
  135   1HG   GLU  15           HG2      GLU  15   3.137  -5.005   8.276
  136   2HG   GLU  15           HG1      GLU  15   1.404  -5.323   8.297
  137    H    THR  16           HN       THR  16   0.796  -1.987   5.555
  138    HA   THR  16           HA       THR  16  -0.213  -1.654   8.324
  139    HB   THR  16           HB       THR  16   1.361   0.174   8.269
  140    HG1  THR  16           HG1      THR  16  -1.195   1.028   7.342
  141   1HG2  THR  16          HG21      THR  16   0.357   0.445   5.439
  142   2HG2  THR  16          HG23      THR  16   0.918   1.883   6.287
  143   3HG2  THR  16          HG22      THR  16   2.014   0.530   6.027
  144    H    THR  17           HN       THR  17  -2.346  -0.925   8.438
  145    HA   THR  17           HA       THR  17  -3.810  -1.023   5.839
  146    HB   THR  17           HB       THR  17  -5.781  -1.722   7.129
  147    HG1  THR  17           HG1      THR  17  -4.488  -1.876   9.512
  148   1HG2  THR  17          HG21      THR  17  -3.193  -3.132   7.803
  149   2HG2  THR  17          HG23      THR  17  -4.672  -3.609   8.620
  150   3HG2  THR  17          HG22      THR  17  -4.558  -3.729   6.870
  151    H    THR  18           HN       THR  18  -5.102   0.616   5.204
  152    HA   THR  18           HA       THR  18  -5.485   2.902   7.093
  153    HB   THR  18           HB       THR  18  -3.574   3.216   5.298
  154    HG1  THR  18           HG1      THR  18  -4.441   5.405   5.119
  155   1HG2  THR  18          HG23      THR  18  -5.365   2.492   3.460
  156   2HG2  THR  18          HG22      THR  18  -5.919   4.151   3.656
  157   3HG2  THR  18          HG21      THR  18  -4.269   3.831   3.131
  158    H    GLU  19           HN       GLU  19  -7.357   4.133   6.733
  159    HA   GLU  19           HA       GLU  19  -9.508   2.642   5.403
  160   1HB   GLU  19           HB2      GLU  19  -9.551   4.030   7.661
  161   2HB   GLU  19           HB1      GLU  19  -9.923   5.361   6.571
  162   1HG   GLU  19           HG2      GLU  19 -11.436   2.732   6.745
  163   2HG   GLU  19           HG1      GLU  19 -12.007   4.293   7.327
  164    H    ALA  20           HN       ALA  20 -10.276   3.050   3.432
  165    HA   ALA  20           HA       ALA  20  -9.792   5.720   2.210
  166   1HB   ALA  20           HB1      ALA  20  -8.468   3.268   1.479
  167   2HB   ALA  20           HB3      ALA  20  -9.471   3.822   0.141
  168   3HB   ALA  20           HB2      ALA  20  -8.239   4.881   0.816
  169    H    VAL  21           HN       VAL  21 -11.420   6.406   0.884
  170    HA   VAL  21           HA       VAL  21 -13.959   5.033   1.077
  171    HB   VAL  21           HB       VAL  21 -13.508   7.570   0.854
  172   1HG1  VAL  21          HG11      VAL  21 -12.146   7.083  -1.313
  173   2HG1  VAL  21          HG13      VAL  21 -13.719   6.955  -2.094
  174   3HG1  VAL  21          HG12      VAL  21 -13.239   8.462  -1.320
  175   1HG2  VAL  21          HG23      VAL  21 -15.648   5.913  -0.407
  176   2HG2  VAL  21          HG22      VAL  21 -15.772   7.114   0.875
  177   3HG2  VAL  21          HG21      VAL  21 -15.631   7.629  -0.802
  178    H    ASP  22           HN       ASP  22 -11.445   5.229  -1.350
  179    HA   ASP  22           HA       ASP  22 -12.793   3.056  -2.839
  180   1HB   ASP  22           HB2      ASP  22 -12.738   4.189  -4.956
  181   2HB   ASP  22           HB1      ASP  22 -13.526   5.278  -3.817
  182    H    ALA  23           HN       ALA  23 -11.277   2.552  -4.858
  183    HA   ALA  23           HA       ALA  23  -8.727   1.776  -3.704
  184   1HB   ALA  23           HB2      ALA  23 -10.121   1.394  -6.316
  185   2HB   ALA  23           HB1      ALA  23  -8.376   1.159  -6.276
  186   3HB   ALA  23           HB3      ALA  23  -9.420   0.193  -5.236
  187    H    ALA  24           HN       ALA  24  -9.785   4.184  -6.052
  188    HA   ALA  24           HA       ALA  24  -7.259   5.034  -6.992
  189   1HB   ALA  24           HB1      ALA  24  -9.777   5.798  -7.523
  190   2HB   ALA  24           HB3      ALA  24  -9.310   7.126  -6.464
  191   3HB   ALA  24           HB2      ALA  24  -8.389   6.803  -7.929
  192    H    THR  25           HN       THR  25  -9.159   6.435  -4.316
  193    HA   THR  25           HA       THR  25  -7.121   8.220  -3.441
  194    HB   THR  25           HB       THR  25  -9.699   7.941  -2.706
  195    HG1  THR  25           HG1      THR  25  -8.869   9.712  -1.897
  196   1HG2  THR  25          HG22      THR  25  -8.983   5.796  -1.365
  197   2HG2  THR  25          HG21      THR  25  -8.203   6.941  -0.276
  198   3HG2  THR  25          HG23      THR  25  -9.941   7.010  -0.526
  199    H    ALA  26           HN       ALA  26  -7.616   4.821  -2.869
  200    HA   ALA  26           HA       ALA  26  -5.822   4.604  -0.612
  201   1HB   ALA  26           HB1      ALA  26  -6.700   2.509  -2.615
  202   2HB   ALA  26           HB3      ALA  26  -5.881   2.175  -1.094
  203   3HB   ALA  26           HB2      ALA  26  -7.498   2.873  -1.089
  204    H    GLU  27           HN       GLU  27  -5.425   4.383  -4.098
  205    HA   GLU  27           HA       GLU  27  -2.783   3.327  -4.143
  206   1HB   GLU  27           HB2      GLU  27  -4.312   5.093  -6.052
  207   2HB   GLU  27           HB1      GLU  27  -2.686   4.529  -6.398
  208   1HG   GLU  27           HG2      GLU  27  -3.480   2.170  -6.051
  209   2HG   GLU  27           HG1      GLU  27  -5.115   2.793  -5.859
  210    H    LYS  28           HN       LYS  28  -3.934   6.688  -4.042
  211    HA   LYS  28           HA       LYS  28  -1.182   7.706  -3.998
  212   1HB   LYS  28           HB2      LYS  28  -2.644   9.872  -3.334
  213   2HB   LYS  28           HB1      LYS  28  -2.441   9.330  -4.994
  214   1HG   LYS  28           HG2      LYS  28  -4.541   8.119  -4.925
  215   2HG   LYS  28           HG1      LYS  28  -4.713   8.422  -3.201
  216   1HD   LYS  28           HD2      LYS  28  -4.387  10.776  -5.030
  217   2HD   LYS  28           HD1      LYS  28  -5.947   9.962  -4.995
  218   1HE   LYS  28           HE2      LYS  28  -4.651  10.610  -2.373
  219   2HE   LYS  28           HE1      LYS  28  -5.372  11.932  -3.281
  220   1HZ   LYS  28           HZ2      LYS  28  -7.336  10.227  -3.463
  221   2HZ   LYS  28           HZ1      LYS  28  -6.647   9.617  -2.036
  222   3HZ   LYS  28           HZ3      LYS  28  -7.161  11.234  -2.107
  223    H    VAL  29           HN       VAL  29  -3.791   7.203  -1.674
  224    HA   VAL  29           HA       VAL  29  -2.617   8.593   0.517
  225    HB   VAL  29           HB       VAL  29  -4.448   6.190   0.425
  226   1HG1  VAL  29          HG13      VAL  29  -3.277   7.719   2.752
  227   2HG1  VAL  29          HG12      VAL  29  -4.847   6.932   2.888
  228   3HG1  VAL  29          HG11      VAL  29  -3.409   5.975   2.545
  229   1HG2  VAL  29          HG23      VAL  29  -4.976   8.758  -0.231
  230   2HG2  VAL  29          HG22      VAL  29  -6.164   7.726   0.558
  231   3HG2  VAL  29          HG21      VAL  29  -5.214   8.858   1.511
  232    H    PHE  30           HN       PHE  30  -2.576   5.076  -0.085
  233    HA   PHE  30           HA       PHE  30  -0.644   4.440   1.882
  234   1HB   PHE  30           HB2      PHE  30  -1.570   3.145  -0.649
  235   2HB   PHE  30           HB1      PHE  30  -0.089   2.541   0.082
  236    HD1  PHE  30           HD1      PHE  30  -0.341   2.344   2.821
  237    HD2  PHE  30           HD2      PHE  30  -3.512   2.011  -0.009
  238    HE1  PHE  30           HE1      PHE  30  -1.676   1.077   4.453
  239    HE2  PHE  30           HE2      PHE  30  -4.820   0.729   1.622
  240    HZ   PHE  30           HZ       PHE  30  -3.900   0.229   3.840
  241    H    LYS  31           HN       LYS  31  -0.241   5.455  -1.478
  242    HA   LYS  31           HA       LYS  31   2.559   5.077  -1.695
  243   1HB   LYS  31           HB2      LYS  31   1.134   5.668  -3.614
  244   2HB   LYS  31           HB1      LYS  31   0.862   7.265  -2.921
  245   1HG   LYS  31           HG2      LYS  31   3.156   7.880  -3.180
  246   2HG   LYS  31           HG1      LYS  31   3.646   6.217  -3.478
  247   1HD   LYS  31           HD2      LYS  31   3.061   6.314  -5.679
  248   2HD   LYS  31           HD1      LYS  31   1.588   7.215  -5.341
  249   1HE   LYS  31           HE2      LYS  31   4.337   8.471  -5.166
  250   2HE   LYS  31           HE1      LYS  31   3.390   8.480  -6.648
  251   1HZ   LYS  31           HZ2      LYS  31   1.595   9.572  -5.408
  252   2HZ   LYS  31           HZ1      LYS  31   2.597   9.643  -4.038
  253   3HZ   LYS  31           HZ3      LYS  31   3.019  10.496  -5.444
  254    H    GLN  32           HN       GLN  32   0.701   7.763  -0.359
  255    HA   GLN  32           HA       GLN  32   2.890   9.530   0.106
  256   1HB   GLN  32           HB2      GLN  32   0.529  10.226   0.311
  257   2HB   GLN  32           HB1      GLN  32   0.348   9.194   1.725
  258   1HG   GLN  32           HG2      GLN  32   1.654  10.576   3.070
  259   2HG   GLN  32           HG1      GLN  32   2.574  11.208   1.706
  260   1HE2  GLN  32          HE22      GLN  32   0.579  14.110   1.944
  261   2HE2  GLN  32          HE21      GLN  32   2.137  13.445   2.050
  262    OH   TYR  33           OH       TYR  33   4.721   2.732   8.322
  263    H    TYR  33           HN       TYR  33   1.696   6.746   1.842
  264    HA   TYR  33           HA       TYR  33   3.289   7.201   4.227
  265   1HB   TYR  33           HB2      TYR  33   1.255   5.806   4.296
  266   2HB   TYR  33           HB1      TYR  33   2.002   4.664   3.186
  267    HD1  TYR  33           HD1      TYR  33   4.090   3.442   3.899
  268    HD2  TYR  33           HD2      TYR  33   1.790   5.744   6.636
  269    HE1  TYR  33           HE1      TYR  33   5.179   2.301   5.770
  270    HE2  TYR  33           HE2      TYR  33   2.878   4.600   8.512
  271    HH   TYR  33           HH       TYR  33   4.045   2.495   8.962
  272    H    ALA  34           HN       ALA  34   3.518   4.731   1.680
  273    HA   ALA  34           HA       ALA  34   6.012   3.656   2.320
  274   1HB   ALA  34           HB2      ALA  34   4.324   3.150   0.349
  275   2HB   ALA  34           HB1      ALA  34   5.399   4.208  -0.561
  276   3HB   ALA  34           HB3      ALA  34   6.029   2.742   0.183
  277    H    ASN  35           HN       ASN  35   5.277   6.733   0.861
  278    HA   ASN  35           HA       ASN  35   7.931   7.319  -0.099
  279   1HB   ASN  35           HB2      ASN  35   5.590   8.496  -0.537
  280   2HB   ASN  35           HB1      ASN  35   6.105   9.504   0.813
  281   1HD2  ASN  35          HD22      ASN  35   7.855   9.937  -2.815
  282   2HD2  ASN  35          HD21      ASN  35   6.609   8.813  -2.556
  283    H    ASP  36           HN       ASP  36   6.298   7.744   2.971
  284    HA   ASP  36           HA       ASP  36   8.408   9.378   4.135
  285   1HB   ASP  36           HB2      ASP  36   6.173   7.820   5.463
  286   2HB   ASP  36           HB1      ASP  36   7.182   9.033   6.248
  287    H    ASN  37           HN       ASN  37   8.830   6.525   3.002
  288    HA   ASN  37           HA       ASN  37  10.559   5.635   5.264
  289   1HB   ASN  37           HB2      ASN  37   8.549   3.965   3.754
  290   2HB   ASN  37           HB1      ASN  37   9.905   3.240   4.611
  291   1HD2  ASN  37          HD22      ASN  37   6.718   4.647   6.689
  292   2HD2  ASN  37          HD21      ASN  37   6.788   4.756   4.996
  293    H    GLY  38           HN       GLY  38   9.885   5.737   1.842
  294   1HA   GLY  38           HA2      GLY  38  11.708   6.009   0.242
  295   2HA   GLY  38           HA1      GLY  38  12.752   5.098   1.328
  296    H    VAL  39           HN       VAL  39   9.519   4.442  -0.010
  297    HA   VAL  39           HA       VAL  39  10.636   2.056  -1.401
  298    HB   VAL  39           HB       VAL  39   8.238   2.016   0.453
  299   1HG1  VAL  39          HG13      VAL  39   9.155   0.261  -1.738
  300   2HG1  VAL  39          HG12      VAL  39   8.834  -0.585  -0.228
  301   3HG1  VAL  39          HG11      VAL  39   7.568   0.376  -0.987
  302   1HG2  VAL  39          HG22      VAL  39  10.954   0.658   0.600
  303   2HG2  VAL  39          HG21      VAL  39  10.410   1.978   1.630
  304   3HG2  VAL  39          HG23      VAL  39   9.630   0.404   1.734
  305    H    ASP  40           HN       ASP  40  10.251   2.818  -3.437
  306    HA   ASP  40           HA       ASP  40   7.410   3.014  -4.236
  307   1HB   ASP  40           HB2      ASP  40   9.418   5.249  -4.541
  308   2HB   ASP  40           HB1      ASP  40   7.979   5.138  -5.553
  309    H    GLY  41           HN       GLY  41   7.063   2.208  -6.243
  310   1HA   GLY  41           HA2      GLY  41   8.799   2.267  -8.455
  311   2HA   GLY  41           HA1      GLY  41   9.188   0.792  -7.574
  312    H    GLU  42           HN       GLU  42   7.627  -0.853  -7.417
  313    HA   GLU  42           HA       GLU  42   5.499  -0.682  -9.506
  314   1HB   GLU  42           HB2      GLU  42   6.579  -3.128  -8.118
  315   2HB   GLU  42           HB1      GLU  42   5.563  -3.094  -9.551
  316   1HG   GLU  42           HG2      GLU  42   7.726  -3.380 -10.454
  317   2HG   GLU  42           HG1      GLU  42   7.481  -1.641 -10.581
  318    CH2  TRP  43           CH2      TRP  43   2.173   2.515  -2.144
  319    H    TRP  43           HN       TRP  43   3.433  -0.611  -8.899
  320    HA   TRP  43           HA       TRP  43   2.769  -1.295  -6.058
  321   1HB   TRP  43           HB2      TRP  43   1.800   0.858  -7.906
  322   2HB   TRP  43           HB1      TRP  43   0.809   0.338  -6.556
  323    HD1  TRP  43           HD1      TRP  43   4.428   1.512  -7.246
  324    HE1  TRP  43           HE1      TRP  43   5.137   2.844  -5.197
  325    HE3  TRP  43           HE3      TRP  43   0.435   0.722  -4.385
  326    HZ2  TRP  43           HZ2      TRP  43   4.088   3.395  -2.472
  327    HZ3  TRP  43           HZ3      TRP  43   0.278   1.536  -2.089
  328    HH2  TRP  43           HH2      TRP  43   2.103   2.865  -1.125
  329    H    THR  44           HN       THR  44   1.145  -2.696  -5.671
  330    HA   THR  44           HA       THR  44  -0.486  -3.604  -8.021
  331    HB   THR  44           HB       THR  44  -0.307  -5.922  -7.188
  332    HG1  THR  44           HG1      THR  44   0.191  -4.572  -4.996
  333   1HG2  THR  44          HG21      THR  44   1.680  -4.892  -8.520
  334   2HG2  THR  44          HG23      THR  44   2.471  -4.728  -6.955
  335   3HG2  THR  44          HG22      THR  44   2.030  -6.324  -7.556
  336    OH   TYR  45           OH       TYR  45  -8.919  -1.301  -3.104
  337    H    TYR  45           HN       TYR  45  -2.434  -4.907  -7.252
  338    HA   TYR  45           HA       TYR  45  -3.568  -3.868  -4.695
  339   1HB   TYR  45           HB2      TYR  45  -4.143  -2.437  -6.782
  340   2HB   TYR  45           HB1      TYR  45  -5.143  -3.801  -7.280
  341    HD1  TYR  45           HD1      TYR  45  -6.622  -4.699  -4.969
  342    HD2  TYR  45           HD2      TYR  45  -5.408  -0.735  -5.885
  343    HE1  TYR  45           HE1      TYR  45  -8.369  -3.830  -3.512
  344    HE2  TYR  45           HE2      TYR  45  -7.206   0.133  -4.477
  345    HH   TYR  45           HH       TYR  45  -9.688  -1.863  -3.223
  346    H    ASP  46           HN       ASP  46  -4.593  -5.466  -3.620
  347    HA   ASP  46           HA       ASP  46  -5.340  -7.943  -5.135
  348   1HB   ASP  46           HB2      ASP  46  -3.540  -8.020  -3.278
  349   2HB   ASP  46           HB1      ASP  46  -4.887  -7.820  -2.161
  350    H    ASP  47           HN       ASP  47  -7.377  -6.725  -5.604
  351    HA   ASP  47           HA       ASP  47  -9.206  -6.022  -3.505
  352   1HB   ASP  47           HB2      ASP  47  -9.377  -5.245  -5.885
  353   2HB   ASP  47           HB1      ASP  47  -9.901  -6.868  -6.329
  354    H    ALA  48           HN       ALA  48  -7.967  -8.944  -4.053
  355    HA   ALA  48           HA       ALA  48 -10.357 -10.603  -3.997
  356   1HB   ALA  48           HB2      ALA  48  -7.904 -11.186  -4.756
  357   2HB   ALA  48           HB1      ALA  48  -7.681 -11.573  -3.052
  358   3HB   ALA  48           HB3      ALA  48  -8.901 -12.422  -3.995
  359    H    THR  49           HN       THR  49  -8.095  -9.338  -1.612
  360    HA   THR  49           HA       THR  49 -10.032 -10.115   0.522
  361    HB   THR  49           HB       THR  49  -7.861 -10.591   1.947
  362    HG1  THR  49           HG1      THR  49  -6.433 -11.522   0.070
  363   1HG2  THR  49          HG22      THR  49  -9.240 -12.289  -0.065
  364   2HG2  THR  49          HG21      THR  49  -7.634 -12.845   0.397
  365   3HG2  THR  49          HG23      THR  49  -8.882 -12.640   1.622
  366    H    LYS  50           HN       LYS  50  -9.083  -7.612  -0.957
  367    HA   LYS  50           HA       LYS  50  -8.704  -5.368  -0.407
  368   1HB   LYS  50           HB2      LYS  50  -9.501  -6.167   2.398
  369   2HB   LYS  50           HB1      LYS  50  -9.631  -4.575   1.662
  370   1HG   LYS  50           HG2      LYS  50 -11.029  -6.134  -0.127
  371   2HG   LYS  50           HG1      LYS  50 -11.415  -6.911   1.405
  372   1HD   LYS  50           HD2      LYS  50 -12.025  -4.662   2.337
  373   2HD   LYS  50           HD1      LYS  50 -11.755  -3.967   0.742
  374   1HE   LYS  50           HE2      LYS  50 -13.877  -4.515   0.206
  375   2HE   LYS  50           HE1      LYS  50 -13.424  -6.209   0.328
  376   1HZ   LYS  50           HZ1      LYS  50 -14.049  -4.733   2.781
  377   2HZ   LYS  50           HZ3      LYS  50 -15.326  -5.240   1.783
  378   3HZ   LYS  50           HZ2      LYS  50 -14.248  -6.382   2.430
  379    H    THR  51           HN       THR  51  -6.430  -6.340  -0.709
  380    HA   THR  51           HA       THR  51  -4.805  -5.479   1.640
  381    HB   THR  51           HB       THR  51  -4.478  -8.112   0.124
  382    HG1  THR  51           HG1      THR  51  -5.015  -8.884   2.163
  383   1HG2  THR  51          HG22      THR  51  -2.388  -6.630   1.242
  384   2HG2  THR  51          HG21      THR  51  -2.912  -7.649   2.574
  385   3HG2  THR  51          HG23      THR  51  -2.400  -8.374   1.057
  386    H    PHE  52           HN       PHE  52  -3.650  -3.775   0.817
  387    HA   PHE  52           HA       PHE  52  -3.021  -3.620  -2.031
  388   1HB   PHE  52           HB2      PHE  52  -2.989  -1.848   0.254
  389   2HB   PHE  52           HB1      PHE  52  -1.488  -1.729  -0.652
  390    HD1  PHE  52           HD1      PHE  52  -1.533  -1.092  -3.077
  391    HD2  PHE  52           HD2      PHE  52  -5.073  -1.170  -0.741
  392    HE1  PHE  52           HE1      PHE  52  -2.721   0.196  -4.809
  393    HE2  PHE  52           HE2      PHE  52  -6.210   0.228  -2.386
  394    HZ   PHE  52           HZ       PHE  52  -5.019   0.956  -4.402
  395    H    THR  53           HN       THR  53  -0.755  -3.442  -2.797
  396    HA   THR  53           HA       THR  53   1.332  -4.392  -0.974
  397    HB   THR  53           HB       THR  53   0.405  -6.132  -3.286
  398    HG1  THR  53           HG1      THR  53  -0.639  -6.967  -1.651
  399   1HG2  THR  53          HG23      THR  53   2.991  -5.891  -1.931
  400   2HG2  THR  53          HG22      THR  53   2.259  -7.468  -1.655
  401   3HG2  THR  53          HG21      THR  53   2.559  -6.914  -3.299
  402    H    VAL  54           HN       VAL  54   3.249  -3.599  -1.531
  403    HA   VAL  54           HA       VAL  54   3.661  -2.691  -4.352
  404    HB   VAL  54           HB       VAL  54   3.057  -0.770  -2.831
  405   1HG1  VAL  54          HG12      VAL  54   4.211  -1.881  -0.842
  406   2HG1  VAL  54          HG11      VAL  54   5.731  -1.323  -1.533
  407   3HG1  VAL  54          HG13      VAL  54   4.508  -0.159  -1.038
  408   1HG2  VAL  54          HG21      VAL  54   5.860  -0.881  -3.984
  409   2HG2  VAL  54          HG23      VAL  54   4.415  -0.260  -4.758
  410   3HG2  VAL  54          HG22      VAL  54   5.119   0.596  -3.397
  411    H    THR  55           HN       THR  55   5.857  -2.747  -5.011
  412    HA   THR  55           HA       THR  55   7.807  -3.919  -3.101
  413    HB   THR  55           HB       THR  55   7.153  -5.219  -5.779
  414    HG1  THR  55           HG1      THR  55   6.126  -5.334  -3.312
  415   1HG2  THR  55          HG21      THR  55   9.371  -5.472  -3.825
  416   2HG2  THR  55          HG23      THR  55   8.563  -6.990  -4.208
  417   3HG2  THR  55          HG22      THR  55   9.290  -6.032  -5.490
  418    H    GLU  56           HN       GLU  56   9.516  -2.603  -3.224
  419    HA   GLU  56           HA       GLU  56  10.045  -0.813  -5.379
  420   1HB   GLU  56           HB2      GLU  56  11.113  -1.287  -2.845
  421   2HB   GLU  56           HB1      GLU  56  12.455  -1.585  -3.940
  422   1HG   GLU  56           HG2      GLU  56  11.921   0.614  -5.064
  423   2HG   GLU  56           HG1      GLU  56  10.733   0.913  -3.798
   
  Start of MODEL          48
 Raw file had 423 H/Q atoms
  Entry Start of MODEL   48
    1   1H    MET   1           HT3      MET   1 -13.364   1.624   3.876
    2   2H    MET   1           HT2      MET   1 -14.724   0.911   3.152
    3   3H    MET   1           HT1      MET   1 -14.486   0.772   4.827
    4    HA   MET   1           HA       MET   1 -13.532  -1.174   4.427
    5   1HB   MET   1           HB2      MET   1 -13.465  -0.213   1.566
    6   2HB   MET   1           HB1      MET   1 -12.748  -1.746   2.049
    7   1HG   MET   1           HG2      MET   1 -15.043  -2.084   1.289
    8   2HG   MET   1           HG1      MET   1 -14.882  -2.481   2.979
    9   1HE   MET   1           HE3      MET   1 -17.434  -2.704   2.344
   10   2HE   MET   1           HE2      MET   1 -17.163  -2.360   4.053
   11   3HE   MET   1           HE1      MET   1 -18.455  -1.535   3.181
   12    H    THR   2           HN       THR   2 -11.626  -1.430   5.363
   13    HA   THR   2           HA       THR   2  -9.385   0.371   4.606
   14    HB   THR   2           HB       THR   2  -9.350  -1.583   6.924
   15    HG1  THR   2           HG1      THR   2 -11.175  -0.457   7.296
   16   1HG2  THR   2          HG23      THR   2  -7.379   0.033   6.106
   17   2HG2  THR   2          HG22      THR   2  -8.360   1.255   6.908
   18   3HG2  THR   2          HG21      THR   2  -7.746  -0.120   7.821
   19    OH   TYR   3           OH       TYR   3 -11.635   0.353  -0.754
   20    H    TYR   3           HN       TYR   3  -7.794  -0.350   3.330
   21    HA   TYR   3           HA       TYR   3  -7.618  -3.274   2.808
   22   1HB   TYR   3           HB2      TYR   3  -6.065  -1.164   1.329
   23   2HB   TYR   3           HB1      TYR   3  -6.567  -2.750   0.767
   24    HD1  TYR   3           HD1      TYR   3  -7.900   0.584   1.795
   25    HD2  TYR   3           HD2      TYR   3  -8.649  -3.017  -0.330
   26    HE1  TYR   3           HE1      TYR   3  -9.968   1.544   0.888
   27    HE2  TYR   3           HE2      TYR   3 -10.707  -2.056  -1.246
   28    HH   TYR   3           HH       TYR   3 -11.997  -0.268  -1.391
   29    H    LYS   4           HN       LYS   4  -5.537  -4.316   2.784
   30    HA   LYS   4           HA       LYS   4  -3.705  -3.153   4.839
   31   1HB   LYS   4           HB2      LYS   4  -4.900  -5.542   4.911
   32   2HB   LYS   4           HB1      LYS   4  -3.516  -5.994   3.934
   33   1HG   LYS   4           HG2      LYS   4  -2.230  -4.597   5.864
   34   2HG   LYS   4           HG1      LYS   4  -3.615  -5.157   6.792
   35   1HD   LYS   4           HD2      LYS   4  -1.778  -6.942   5.153
   36   2HD   LYS   4           HD1      LYS   4  -1.723  -6.767   6.902
   37   1HE   LYS   4           HE2      LYS   4  -4.078  -7.809   5.292
   38   2HE   LYS   4           HE1      LYS   4  -3.015  -8.768   6.312
   39   1HZ   LYS   4           HZ1      LYS   4  -4.007  -6.612   7.804
   40   2HZ   LYS   4           HZ3      LYS   4  -5.313  -7.391   7.050
   41   3HZ   LYS   4           HZ2      LYS   4  -4.258  -8.274   8.044
   42    H    LEU   5           HN       LEU   5  -1.882  -2.277   4.050
   43    HA   LEU   5           HA       LEU   5  -0.951  -3.001   1.366
   44   1HB   LEU   5           HB2      LEU   5  -0.822  -0.657   1.905
   45   2HB   LEU   5           HB1      LEU   5  -0.022  -0.982   3.436
   46    HG   LEU   5           HG       LEU   5   1.986  -1.846   2.119
   47   1HD1  LEU   5          HD11      LEU   5   0.766  -2.341  -0.005
   48   2HD1  LEU   5          HD13      LEU   5   0.482  -0.618  -0.215
   49   3HD1  LEU   5          HD12      LEU   5   2.121  -1.253  -0.264
   50   1HD2  LEU   5          HD22      LEU   5   1.736   0.510   3.006
   51   2HD2  LEU   5          HD21      LEU   5   2.820   0.352   1.628
   52   3HD2  LEU   5          HD23      LEU   5   1.194   0.977   1.399
   53    H    ILE   6           HN       ILE   6   1.119  -3.853   0.920
   54    HA   ILE   6           HA       ILE   6   2.532  -5.131   3.185
   55    HB   ILE   6           HB       ILE   6   2.144  -6.360   0.446
   56   1HG1  ILE   6          HG12      ILE   6   0.718  -6.795   3.086
   57   2HG1  ILE   6          HG11      ILE   6  -0.002  -6.368   1.538
   58   1HG2  ILE   6          HG22      ILE   6   4.211  -6.944   1.895
   59   2HG2  ILE   6          HG21      ILE   6   3.068  -7.701   2.996
   60   3HG2  ILE   6          HG23      ILE   6   3.221  -8.288   1.344
   61   1HD1  ILE   6           HD1      ILE   6   0.993  -8.596   0.671
   62   2HD1  ILE   6           HD3      ILE   6   1.223  -9.007   2.368
   63   3HD1  ILE   6           HD2      ILE   6  -0.395  -8.706   1.747
   64    H    LEU   7           HN       LEU   7   4.282  -3.833   3.319
   65    HA   LEU   7           HA       LEU   7   5.560  -2.736   0.942
   66   1HB   LEU   7           HB2      LEU   7   6.146  -2.618   3.884
   67   2HB   LEU   7           HB1      LEU   7   7.276  -1.967   2.703
   68    HG   LEU   7           HG       LEU   7   4.449  -1.183   2.298
   69   1HD1  LEU   7          HD13      LEU   7   6.063  -0.261   4.697
   70   2HD1  LEU   7          HD12      LEU   7   4.634   0.575   4.095
   71   3HD1  LEU   7          HD11      LEU   7   4.495  -1.063   4.727
   72   1HD2  LEU   7          HD23      LEU   7   6.353  -0.303   0.964
   73   2HD2  LEU   7          HD22      LEU   7   5.533   0.985   1.839
   74   3HD2  LEU   7          HD21      LEU   7   7.066   0.355   2.434
   75    H    ASN   8           HN       ASN   8   6.713  -4.039  -0.336
   76    HA   ASN   8           HA       ASN   8   8.394  -6.145   0.938
   77   1HB   ASN   8           HB2      ASN   8   6.921  -5.889  -1.577
   78   2HB   ASN   8           HB1      ASN   8   8.564  -6.444  -1.830
   79   1HD2  ASN   8          HD22      ASN   8   5.923  -9.077  -0.661
   80   2HD2  ASN   8          HD21      ASN   8   5.603  -7.654  -1.516
   81    H    GLY   9           HN       GLY   9   9.302  -3.584   1.344
   82   1HA   GLY   9           HA2      GLY   9  11.064  -2.614  -0.687
   83   2HA   GLY   9           HA1      GLY   9  11.177  -2.206   1.013
   84    H    LYS  10           HN       LYS  10  13.133  -3.072  -1.173
   85    HA   LYS  10           HA       LYS  10  14.206  -5.621  -0.320
   86   1HB   LYS  10           HB2      LYS  10  15.037  -3.431  -2.150
   87   2HB   LYS  10           HB1      LYS  10  16.324  -4.451  -1.517
   88   1HG   LYS  10           HG2      LYS  10  15.427  -6.402  -2.479
   89   2HG   LYS  10           HG1      LYS  10  13.819  -5.700  -2.634
   90   1HD   LYS  10           HD2      LYS  10  14.600  -4.194  -4.393
   91   2HD   LYS  10           HD1      LYS  10  16.254  -4.761  -4.185
   92   1HE   LYS  10           HE2      LYS  10  15.874  -6.541  -5.524
   93   2HE   LYS  10           HE1      LYS  10  14.467  -7.008  -4.576
   94   1HZ   LYS  10           HZ1      LYS  10  13.375  -5.040  -5.845
   95   2HZ   LYS  10           HZ3      LYS  10  14.621  -5.315  -6.965
   96   3HZ   LYS  10           HZ2      LYS  10  13.528  -6.559  -6.588
   97    H    THR  11           HN       THR  11  14.447  -2.380   0.770
   98    HA   THR  11           HA       THR  11  16.689  -3.106   2.601
   99    HB   THR  11           HB       THR  11  16.581  -0.430   2.858
  100    HG1  THR  11           HG1      THR  11  15.896   0.334   0.768
  101   1HG2  THR  11          HG21      THR  11  18.484  -1.783   1.814
  102   2HG2  THR  11          HG23      THR  11  17.609  -1.689   0.290
  103   3HG2  THR  11          HG22      THR  11  18.205  -0.220   1.055
  104    H    LEU  12           HN       LEU  12  13.359  -2.686   2.456
  105    HA   LEU  12           HA       LEU  12  13.145  -2.833   5.368
  106   1HB   LEU  12           HB2      LEU  12  13.513  -0.354   4.793
  107   2HB   LEU  12           HB1      LEU  12  11.892  -0.400   4.110
  108    HG   LEU  12           HG       LEU  12  11.481  -1.640   6.518
  109   1HD1  LEU  12          HD12      LEU  12  13.842  -1.153   7.180
  110   2HD1  LEU  12          HD11      LEU  12  13.519   0.566   6.978
  111   3HD1  LEU  12          HD13      LEU  12  12.679  -0.346   8.228
  112   1HD2  LEU  12          HD22      LEU  12  11.350   1.285   5.738
  113   2HD2  LEU  12          HD21      LEU  12  10.041   0.107   5.724
  114   3HD2  LEU  12          HD23      LEU  12  10.689   0.685   7.256
  115    H    LYS  13           HN       LYS  13  11.569  -4.264   5.647
  116    HA   LYS  13           HA       LYS  13   9.278  -4.279   3.727
  117   1HB   LYS  13           HB2      LYS  13  10.235  -6.449   5.608
  118   2HB   LYS  13           HB1      LYS  13   8.910  -6.599   4.461
  119   1HG   LYS  13           HG2      LYS  13  10.398  -6.326   2.584
  120   2HG   LYS  13           HG1      LYS  13  11.731  -5.857   3.634
  121   1HD   LYS  13           HD2      LYS  13  10.571  -8.446   4.374
  122   2HD   LYS  13           HD1      LYS  13  11.219  -8.436   2.738
  123   1HE   LYS  13           HE2      LYS  13  12.749  -7.408   5.146
  124   2HE   LYS  13           HE1      LYS  13  12.905  -9.047   4.531
  125   1HZ   LYS  13           HZ2      LYS  13  13.560  -8.110   2.381
  126   2HZ   LYS  13           HZ1      LYS  13  13.491  -6.548   3.046
  127   3HZ   LYS  13           HZ3      LYS  13  14.626  -7.670   3.627
  128    H    GLY  14           HN       GLY  14   7.233  -3.939   4.455
  129   1HA   GLY  14           HA2      GLY  14   6.709  -4.000   7.367
  130   2HA   GLY  14           HA1      GLY  14   6.496  -2.449   6.565
  131    H    GLU  15           HN       GLU  15   4.277  -2.799   7.432
  132    HA   GLU  15           HA       GLU  15   2.462  -3.537   5.353
  133   1HB   GLU  15           HB2      GLU  15   1.404  -5.504   6.408
  134   2HB   GLU  15           HB1      GLU  15   3.086  -5.839   6.019
  135   1HG   GLU  15           HG2      GLU  15   3.343  -4.800   8.538
  136   2HG   GLU  15           HG1      GLU  15   1.778  -5.597   8.664
  137    H    THR  16           HN       THR  16   0.821  -2.169   5.692
  138    HA   THR  16           HA       THR  16  -0.176  -1.769   8.467
  139    HB   THR  16           HB       THR  16   1.303   0.133   8.288
  140    HG1  THR  16           HG1      THR  16  -0.274   1.588   8.565
  141   1HG2  THR  16          HG23      THR  16   0.736  -0.108   5.471
  142   2HG2  THR  16          HG22      THR  16   0.237   1.493   6.002
  143   3HG2  THR  16          HG21      THR  16   1.898   0.964   6.246
  144    H    THR  17           HN       THR  17  -2.211  -0.292   8.353
  145    HA   THR  17           HA       THR  17  -3.766  -0.964   5.881
  146    HB   THR  17           HB       THR  17  -5.613  -1.749   7.172
  147    HG1  THR  17           HG1      THR  17  -5.542  -1.224   9.479
  148   1HG2  THR  17          HG22      THR  17  -3.235  -3.011   7.628
  149   2HG2  THR  17          HG21      THR  17  -3.610  -2.472   9.260
  150   3HG2  THR  17          HG23      THR  17  -4.736  -3.515   8.395
  151    H    THR  18           HN       THR  18  -4.931   0.672   5.044
  152    HA   THR  18           HA       THR  18  -5.292   3.138   6.710
  153    HB   THR  18           HB       THR  18  -3.505   3.215   4.770
  154    HG1  THR  18           HG1      THR  18  -5.627   5.087   4.712
  155   1HG2  THR  18          HG23      THR  18  -5.438   2.294   3.159
  156   2HG2  THR  18          HG22      THR  18  -5.929   3.984   3.165
  157   3HG2  THR  18          HG21      THR  18  -4.326   3.535   2.592
  158    H    GLU  19           HN       GLU  19  -7.215   4.268   6.423
  159    HA   GLU  19           HA       GLU  19  -9.417   2.662   5.307
  160   1HB   GLU  19           HB2      GLU  19  -9.748   3.757   7.468
  161   2HB   GLU  19           HB1      GLU  19  -9.404   5.327   6.749
  162   1HG   GLU  19           HG2      GLU  19 -11.493   3.817   5.324
  163   2HG   GLU  19           HG1      GLU  19 -11.925   4.223   6.982
  164    H    ALA  20           HN       ALA  20 -10.211   2.936   3.320
  165    HA   ALA  20           HA       ALA  20  -9.968   5.606   2.022
  166   1HB   ALA  20           HB1      ALA  20  -8.451   3.269   1.316
  167   2HB   ALA  20           HB3      ALA  20  -9.544   3.673  -0.004
  168   3HB   ALA  20           HB2      ALA  20  -8.401   4.871   0.589
  169    H    VAL  21           HN       VAL  21 -11.717   6.160   0.826
  170    HA   VAL  21           HA       VAL  21 -14.069   4.442   0.974
  171    HB   VAL  21           HB       VAL  21 -14.029   7.002   1.109
  172   1HG1  VAL  21          HG11      VAL  21 -12.587   7.015  -1.085
  173   2HG1  VAL  21          HG13      VAL  21 -14.141   6.863  -1.900
  174   3HG1  VAL  21          HG12      VAL  21 -13.820   8.255  -0.871
  175   1HG2  VAL  21          HG23      VAL  21 -15.884   5.632  -0.871
  176   2HG2  VAL  21          HG22      VAL  21 -16.112   5.700   0.873
  177   3HG2  VAL  21          HG21      VAL  21 -16.203   7.174  -0.084
  178    H    ASP  22           HN       ASP  22 -11.609   5.135  -1.356
  179    HA   ASP  22           HA       ASP  22 -12.865   3.176  -3.203
  180   1HB   ASP  22           HB2      ASP  22 -12.690   4.590  -5.116
  181   2HB   ASP  22           HB1      ASP  22 -13.450   5.580  -3.872
  182    H    ALA  23           HN       ALA  23 -11.310   2.455  -4.892
  183    HA   ALA  23           HA       ALA  23  -8.779   1.784  -3.697
  184   1HB   ALA  23           HB2      ALA  23 -10.119   1.315  -6.309
  185   2HB   ALA  23           HB1      ALA  23  -8.365   1.172  -6.285
  186   3HB   ALA  23           HB3      ALA  23  -9.345   0.166  -5.223
  187    H    ALA  24           HN       ALA  24  -9.835   4.318  -5.844
  188    HA   ALA  24           HA       ALA  24  -7.282   5.112  -6.853
  189   1HB   ALA  24           HB2      ALA  24  -9.880   5.948  -7.218
  190   2HB   ALA  24           HB1      ALA  24  -9.168   7.308  -6.354
  191   3HB   ALA  24           HB3      ALA  24  -8.461   6.760  -7.871
  192    H    THR  25           HN       THR  25  -9.184   6.684  -4.278
  193    HA   THR  25           HA       THR  25  -7.094   8.348  -3.343
  194    HB   THR  25           HB       THR  25  -9.684   8.216  -2.669
  195    HG1  THR  25           HG1      THR  25  -8.909   9.860  -1.586
  196   1HG2  THR  25          HG23      THR  25  -9.124   5.988  -1.371
  197   2HG2  THR  25          HG22      THR  25  -8.354   7.067  -0.212
  198   3HG2  THR  25          HG21      THR  25 -10.074   7.220  -0.547
  199    H    ALA  26           HN       ALA  26  -7.680   4.965  -2.852
  200    HA   ALA  26           HA       ALA  26  -6.014   4.639  -0.514
  201   1HB   ALA  26           HB2      ALA  26  -7.704   2.958  -1.266
  202   2HB   ALA  26           HB1      ALA  26  -6.675   2.590  -2.646
  203   3HB   ALA  26           HB3      ALA  26  -6.111   2.254  -1.011
  204    H    GLU  27           HN       GLU  27  -5.445   4.269  -3.989
  205    HA   GLU  27           HA       GLU  27  -2.805   3.327  -3.941
  206   1HB   GLU  27           HB2      GLU  27  -4.247   5.181  -5.833
  207   2HB   GLU  27           HB1      GLU  27  -2.589   4.681  -6.120
  208   1HG   GLU  27           HG2      GLU  27  -3.332   2.285  -5.963
  209   2HG   GLU  27           HG1      GLU  27  -4.993   2.855  -5.830
  210    H    LYS  28           HN       LYS  28  -3.928   6.697  -3.880
  211    HA   LYS  28           HA       LYS  28  -1.240   7.768  -3.633
  212   1HB   LYS  28           HB2      LYS  28  -3.941   9.033  -3.117
  213   2HB   LYS  28           HB1      LYS  28  -2.416   9.910  -3.148
  214   1HG   LYS  28           HG2      LYS  28  -2.511  10.031  -5.400
  215   2HG   LYS  28           HG1      LYS  28  -2.560   8.275  -5.503
  216   1HD   LYS  28           HD2      LYS  28  -4.560   9.165  -6.568
  217   2HD   LYS  28           HD1      LYS  28  -5.036   8.373  -5.070
  218   1HE   LYS  28           HE2      LYS  28  -5.987  10.309  -4.403
  219   2HE   LYS  28           HE1      LYS  28  -4.392  11.050  -4.384
  220   1HZ   LYS  28           HZ3      LYS  28  -6.110  10.848  -6.792
  221   2HZ   LYS  28           HZ2      LYS  28  -6.007  12.222  -5.797
  222   3HZ   LYS  28           HZ1      LYS  28  -4.642  11.689  -6.655
  223    H    VAL  29           HN       VAL  29  -3.905   7.258  -1.337
  224    HA   VAL  29           HA       VAL  29  -2.769   8.409   0.951
  225    HB   VAL  29           HB       VAL  29  -4.450   5.909   0.679
  226   1HG1  VAL  29          HG11      VAL  29  -3.462   7.403   3.117
  227   2HG1  VAL  29          HG13      VAL  29  -4.931   6.433   3.160
  228   3HG1  VAL  29          HG12      VAL  29  -3.385   5.673   2.798
  229   1HG2  VAL  29          HG23      VAL  29  -5.107   8.511   0.196
  230   2HG2  VAL  29          HG22      VAL  29  -6.253   7.319   0.796
  231   3HG2  VAL  29          HG21      VAL  29  -5.451   8.410   1.920
  232    H    PHE  30           HN       PHE  30  -2.425   5.028  -0.114
  233    HA   PHE  30           HA       PHE  30  -0.476   4.372   1.894
  234   1HB   PHE  30           HB2      PHE  30  -1.407   3.113  -0.657
  235   2HB   PHE  30           HB1      PHE  30   0.090   2.534   0.060
  236    HD1  PHE  30           HD1      PHE  30  -0.151   2.271   2.800
  237    HD2  PHE  30           HD2      PHE  30  -3.324   1.935  -0.028
  238    HE1  PHE  30           HE1      PHE  30  -1.455   0.945   4.408
  239    HE2  PHE  30           HE2      PHE  30  -4.602   0.603   1.582
  240    HZ   PHE  30           HZ       PHE  30  -3.669   0.080   3.786
  241    H    LYS  31           HN       LYS  31  -0.118   5.141  -1.570
  242    HA   LYS  31           HA       LYS  31   2.659   5.011  -1.789
  243   1HB   LYS  31           HB2      LYS  31   1.023   5.599  -3.625
  244   2HB   LYS  31           HB1      LYS  31   0.987   7.237  -2.979
  245   1HG   LYS  31           HG2      LYS  31   3.697   6.764  -3.144
  246   2HG   LYS  31           HG1      LYS  31   3.097   5.870  -4.534
  247   1HD   LYS  31           HD2      LYS  31   3.449   8.056  -5.378
  248   2HD   LYS  31           HD1      LYS  31   1.719   7.999  -5.068
  249   1HE   LYS  31           HE2      LYS  31   2.683   8.814  -2.626
  250   2HE   LYS  31           HE1      LYS  31   3.819   9.586  -3.725
  251   1HZ   LYS  31           HZ3      LYS  31   0.931   9.754  -4.246
  252   2HZ   LYS  31           HZ2      LYS  31   1.646  10.783  -3.101
  253   3HZ   LYS  31           HZ1      LYS  31   2.172  10.814  -4.715
  254    H    GLN  32           HN       GLN  32   0.704   7.589  -0.388
  255    HA   GLN  32           HA       GLN  32   2.829   9.449   0.046
  256   1HB   GLN  32           HB2      GLN  32   0.452  10.063   0.280
  257   2HB   GLN  32           HB1      GLN  32   0.316   9.009   1.683
  258   1HG   GLN  32           HG2      GLN  32   1.220  10.580   3.041
  259   2HG   GLN  32           HG1      GLN  32   2.581  10.821   1.949
  260   1HE2  GLN  32          HE22      GLN  32  -0.123  13.691   2.149
  261   2HE2  GLN  32          HE21      GLN  32   0.183  12.538   3.355
  262    OH   TYR  33           OH       TYR  33   4.977   2.688   8.217
  263    H    TYR  33           HN       TYR  33   1.679   6.673   1.856
  264    HA   TYR  33           HA       TYR  33   3.332   7.163   4.185
  265   1HB   TYR  33           HB2      TYR  33   1.339   5.738   4.329
  266   2HB   TYR  33           HB1      TYR  33   2.053   4.606   3.183
  267    HD1  TYR  33           HD1      TYR  33   4.157   3.379   3.819
  268    HD2  TYR  33           HD2      TYR  33   1.984   5.699   6.643
  269    HE1  TYR  33           HE1      TYR  33   5.327   2.246   5.648
  270    HE2  TYR  33           HE2      TYR  33   3.152   4.564   8.476
  271    HH   TYR  33           HH       TYR  33   5.219   3.349   8.870
  272    H    ALA  34           HN       ALA  34   3.569   4.705   1.621
  273    HA   ALA  34           HA       ALA  34   6.060   3.624   2.216
  274   1HB   ALA  34           HB2      ALA  34   4.332   3.510   0.053
  275   2HB   ALA  34           HB1      ALA  34   5.800   4.187  -0.646
  276   3HB   ALA  34           HB3      ALA  34   5.855   2.638   0.190
  277    H    ASN  35           HN       ASN  35   5.371   6.663   0.562
  278    HA   ASN  35           HA       ASN  35   7.993   7.340  -0.252
  279   1HB   ASN  35           HB2      ASN  35   5.802   8.585  -0.730
  280   2HB   ASN  35           HB1      ASN  35   6.018   9.346   0.843
  281   1HD2  ASN  35          HD22      ASN  35   9.435  10.285  -0.868
  282   2HD2  ASN  35          HD21      ASN  35   9.111   8.865   0.003
  283    H    ASP  36           HN       ASP  36   6.416   7.675   2.877
  284    HA   ASP  36           HA       ASP  36   8.520   9.213   4.111
  285   1HB   ASP  36           HB2      ASP  36   6.414   7.407   5.331
  286   2HB   ASP  36           HB1      ASP  36   7.443   8.505   6.248
  287    H    ASN  37           HN       ASN  37   8.799   6.324   2.767
  288    HA   ASN  37           HA       ASN  37  10.815   5.390   4.776
  289   1HB   ASN  37           HB2      ASN  37   8.693   3.835   3.328
  290   2HB   ASN  37           HB1      ASN  37  10.192   3.041   3.802
  291   1HD2  ASN  37          HD22      ASN  37   7.728   4.475   6.775
  292   2HD2  ASN  37          HD21      ASN  37   7.719   5.234   5.257
  293    H    GLY  38           HN       GLY  38   9.918   5.882   1.462
  294   1HA   GLY  38           HA2      GLY  38  11.613   6.374  -0.218
  295   2HA   GLY  38           HA1      GLY  38  12.745   5.364   0.675
  296    H    VAL  39           HN       VAL  39   9.745   3.897   0.576
  297    HA   VAL  39           HA       VAL  39  10.714   1.931  -1.389
  298    HB   VAL  39           HB       VAL  39   8.104   1.962   0.149
  299   1HG1  VAL  39          HG12      VAL  39   9.644  -0.158  -1.383
  300   2HG1  VAL  39          HG11      VAL  39   8.345  -0.545  -0.260
  301   3HG1  VAL  39          HG13      VAL  39   8.008   0.414  -1.698
  302   1HG2  VAL  39          HG21      VAL  39  10.793   0.709   0.812
  303   2HG2  VAL  39          HG23      VAL  39  10.027   2.032   1.686
  304   3HG2  VAL  39          HG22      VAL  39   9.304   0.426   1.706
  305    H    ASP  40           HN       ASP  40  10.509   2.646  -3.453
  306    HA   ASP  40           HA       ASP  40   7.750   3.209  -4.393
  307   1HB   ASP  40           HB2      ASP  40  10.095   4.988  -5.109
  308   2HB   ASP  40           HB1      ASP  40   8.416   5.205  -5.596
  309    H    GLY  41           HN       GLY  41   7.340   2.078  -6.182
  310   1HA   GLY  41           HA2      GLY  41   9.113   1.805  -8.400
  311   2HA   GLY  41           HA1      GLY  41   9.237   0.354  -7.408
  312    H    GLU  42           HN       GLU  42   7.698  -1.184  -7.610
  313    HA   GLU  42           HA       GLU  42   5.496  -0.647  -9.538
  314   1HB   GLU  42           HB2      GLU  42   6.095  -3.329  -8.350
  315   2HB   GLU  42           HB1      GLU  42   5.428  -2.950  -9.932
  316   1HG   GLU  42           HG2      GLU  42   7.711  -1.808 -10.399
  317   2HG   GLU  42           HG1      GLU  42   8.290  -2.703  -8.996
  318    CH2  TRP  43           CH2      TRP  43   2.336   2.427  -2.191
  319    H    TRP  43           HN       TRP  43   3.350  -0.887  -8.988
  320    HA   TRP  43           HA       TRP  43   2.775  -1.399  -6.090
  321   1HB   TRP  43           HB2      TRP  43   1.778   0.742  -7.942
  322   2HB   TRP  43           HB1      TRP  43   0.814   0.247  -6.561
  323    HD1  TRP  43           HD1      TRP  43   4.402   1.430  -7.372
  324    HE1  TRP  43           HE1      TRP  43   5.200   2.728  -5.339
  325    HE3  TRP  43           HE3      TRP  43   0.512   0.641  -4.374
  326    HZ2  TRP  43           HZ2      TRP  43   4.247   3.289  -2.585
  327    HZ3  TRP  43           HZ3      TRP  43   0.435   1.464  -2.073
  328    HH2  TRP  43           HH2      TRP  43   2.300   2.785  -1.173
  329    H    THR  44           HN       THR  44   1.217  -2.831  -5.653
  330    HA   THR  44           HA       THR  44  -0.457  -3.812  -7.941
  331    HB   THR  44           HB       THR  44  -0.417  -6.037  -6.551
  332    HG1  THR  44           HG1      THR  44   0.542  -4.814  -4.772
  333   1HG2  THR  44          HG23      THR  44   2.199  -5.011  -7.723
  334   2HG2  THR  44          HG22      THR  44   1.750  -6.700  -7.509
  335   3HG2  THR  44          HG21      THR  44   0.900  -5.706  -8.688
  336    OH   TYR  45           OH       TYR  45  -8.844  -1.009  -3.142
  337    H    TYR  45           HN       TYR  45  -2.478  -4.889  -7.233
  338    HA   TYR  45           HA       TYR  45  -3.601  -3.818  -4.685
  339   1HB   TYR  45           HB2      TYR  45  -4.062  -2.327  -6.759
  340   2HB   TYR  45           HB1      TYR  45  -5.120  -3.633  -7.300
  341    HD1  TYR  45           HD1      TYR  45  -6.683  -4.493  -5.018
  342    HD2  TYR  45           HD2      TYR  45  -5.271  -0.579  -5.867
  343    HE1  TYR  45           HE1      TYR  45  -8.412  -3.556  -3.580
  344    HE2  TYR  45           HE2      TYR  45  -7.049   0.356  -4.479
  345    HH   TYR  45           HH       TYR  45  -9.605  -0.836  -3.703
  346    H    ASP  46           HN       ASP  46  -4.696  -5.380  -3.648
  347    HA   ASP  46           HA       ASP  46  -5.585  -7.775  -5.218
  348   1HB   ASP  46           HB2      ASP  46  -3.750  -8.010  -3.413
  349   2HB   ASP  46           HB1      ASP  46  -5.053  -7.758  -2.256
  350    H    ASP  47           HN       ASP  47  -7.569  -6.473  -5.615
  351    HA   ASP  47           HA       ASP  47  -9.304  -5.717  -3.447
  352   1HB   ASP  47           HB2      ASP  47  -9.505  -4.828  -5.768
  353   2HB   ASP  47           HB1      ASP  47 -10.059  -6.414  -6.298
  354    H    ALA  48           HN       ALA  48  -8.453  -8.736  -4.707
  355    HA   ALA  48           HA       ALA  48 -10.917 -10.165  -4.336
  356   1HB   ALA  48           HB1      ALA  48  -8.466 -10.804  -5.352
  357   2HB   ALA  48           HB3      ALA  48  -8.419 -11.647  -3.807
  358   3HB   ALA  48           HB2      ALA  48  -9.706 -11.990  -4.958
  359    H    THR  49           HN       THR  49  -8.437  -9.089  -2.158
  360    HA   THR  49           HA       THR  49 -10.014 -10.208   0.116
  361    HB   THR  49           HB       THR  49  -7.870 -10.872   1.247
  362    HG1  THR  49           HG1      THR  49  -6.006 -10.573   0.069
  363   1HG2  THR  49          HG22      THR  49  -9.077 -12.238  -0.880
  364   2HG2  THR  49          HG21      THR  49  -7.383 -12.152  -1.352
  365   3HG2  THR  49          HG23      THR  49  -7.836 -12.900   0.177
  366    H    LYS  50           HN       LYS  50  -9.160  -7.520  -1.298
  367    HA   LYS  50           HA       LYS  50  -8.796  -5.317  -0.593
  368   1HB   LYS  50           HB2      LYS  50  -9.677  -6.336   2.115
  369   2HB   LYS  50           HB1      LYS  50  -9.774  -4.683   1.517
  370   1HG   LYS  50           HG2      LYS  50 -11.312  -5.472  -0.294
  371   2HG   LYS  50           HG1      LYS  50 -11.277  -7.081   0.417
  372   1HD   LYS  50           HD2      LYS  50 -12.112  -6.087   2.570
  373   2HD   LYS  50           HD1      LYS  50 -12.276  -4.541   1.745
  374   1HE   LYS  50           HE2      LYS  50 -13.829  -7.083   1.322
  375   2HE   LYS  50           HE1      LYS  50 -14.427  -5.439   1.505
  376   1HZ   LYS  50           HZ1      LYS  50 -13.262  -4.986  -0.679
  377   2HZ   LYS  50           HZ3      LYS  50 -13.150  -6.671  -0.853
  378   3HZ   LYS  50           HZ2      LYS  50 -14.674  -5.928  -0.740
  379    H    THR  51           HN       THR  51  -6.502  -6.277  -0.891
  380    HA   THR  51           HA       THR  51  -4.944  -5.500   1.527
  381    HB   THR  51           HB       THR  51  -4.631  -8.133   0.004
  382    HG1  THR  51           HG1      THR  51  -5.053  -8.850   2.158
  383   1HG2  THR  51          HG21      THR  51  -2.522  -6.685   1.166
  384   2HG2  THR  51          HG23      THR  51  -3.067  -7.745   2.455
  385   3HG2  THR  51          HG22      THR  51  -2.553  -8.421   0.916
  386    H    PHE  52           HN       PHE  52  -3.695  -3.836   0.790
  387    HA   PHE  52           HA       PHE  52  -3.013  -3.612  -2.038
  388   1HB   PHE  52           HB2      PHE  52  -2.995  -1.906   0.286
  389   2HB   PHE  52           HB1      PHE  52  -1.467  -1.800  -0.572
  390    HD1  PHE  52           HD1      PHE  52  -1.437  -1.134  -3.001
  391    HD2  PHE  52           HD2      PHE  52  -5.018  -1.128  -0.732
  392    HE1  PHE  52           HE1      PHE  52  -2.548   0.224  -4.731
  393    HE2  PHE  52           HE2      PHE  52  -6.074   0.341  -2.366
  394    HZ   PHE  52           HZ       PHE  52  -4.825   1.056  -4.349
  395    H    THR  53           HN       THR  53  -0.704  -3.352  -2.720
  396    HA   THR  53           HA       THR  53   1.349  -4.428  -0.941
  397    HB   THR  53           HB       THR  53   0.453  -6.044  -3.356
  398    HG1  THR  53           HG1      THR  53   0.449  -7.472  -1.266
  399   1HG2  THR  53          HG22      THR  53   2.945  -5.981  -1.750
  400   2HG2  THR  53          HG21      THR  53   2.178  -7.565  -1.823
  401   3HG2  THR  53          HG23      THR  53   2.653  -6.748  -3.309
  402    H    VAL  54           HN       VAL  54   3.334  -3.719  -1.530
  403    HA   VAL  54           HA       VAL  54   3.695  -2.691  -4.312
  404    HB   VAL  54           HB       VAL  54   3.139  -0.802  -2.727
  405   1HG1  VAL  54          HG12      VAL  54   4.308  -1.929  -0.788
  406   2HG1  VAL  54          HG11      VAL  54   5.836  -1.439  -1.512
  407   3HG1  VAL  54          HG13      VAL  54   4.677  -0.222  -0.985
  408   1HG2  VAL  54          HG22      VAL  54   5.892  -0.917  -3.987
  409   2HG2  VAL  54          HG21      VAL  54   4.427  -0.234  -4.672
  410   3HG2  VAL  54          HG23      VAL  54   5.212   0.554  -3.313
  411    H    THR  55           HN       THR  55   5.863  -2.764  -5.026
  412    HA   THR  55           HA       THR  55   7.812  -4.106  -3.217
  413    HB   THR  55           HB       THR  55   7.440  -5.064  -6.069
  414    HG1  THR  55           HG1      THR  55   5.535  -5.080  -4.522
  415   1HG2  THR  55          HG23      THR  55   9.224  -5.743  -3.959
  416   2HG2  THR  55          HG22      THR  55   8.014  -7.022  -4.002
  417   3HG2  THR  55          HG21      THR  55   8.956  -6.652  -5.438
  418    H    GLU  56           HN       GLU  56   9.563  -2.822  -3.211
  419    HA   GLU  56           HA       GLU  56  10.086  -0.769  -5.109
  420   1HB   GLU  56           HB2      GLU  56  11.157  -1.498  -2.699
  421   2HB   GLU  56           HB1      GLU  56  12.465  -1.906  -3.796
  422   1HG   GLU  56           HG2      GLU  56  12.082   0.433  -4.829
  423   2HG   GLU  56           HG1      GLU  56  11.129   0.777  -3.388
   
  Start of MODEL          49
 Raw file had 423 H/Q atoms
  Entry Start of MODEL   49
    1   1H    MET   1           HT3      MET   1 -13.489  -0.268   5.972
    2   2H    MET   1           HT2      MET   1 -14.919   0.474   5.431
    3   3H    MET   1           HT1      MET   1 -14.608  -1.151   5.051
    4    HA   MET   1           HA       MET   1 -13.554  -0.582   3.216
    5   1HB   MET   1           HB2      MET   1 -13.993   2.292   4.071
    6   2HB   MET   1           HB1      MET   1 -13.659   1.730   2.438
    7   1HG   MET   1           HG2      MET   1 -15.896   1.654   2.204
    8   2HG   MET   1           HG1      MET   1 -15.777   0.159   3.092
    9   1HE   MET   1           HE3      MET   1 -16.769   3.759   2.922
   10   2HE   MET   1           HE2      MET   1 -18.109   2.664   2.582
   11   3HE   MET   1           HE1      MET   1 -18.188   3.752   3.968
   12    H    THR   2           HN       THR   2 -11.699  -1.448   4.615
   13    HA   THR   2           HA       THR   2  -9.483   0.535   4.462
   14    HB   THR   2           HB       THR   2  -9.827  -1.313   6.856
   15    HG1  THR   2           HG1      THR   2 -11.361   0.132   7.218
   16   1HG2  THR   2          HG21      THR   2  -7.586   0.036   6.007
   17   2HG2  THR   2          HG23      THR   2  -8.379   1.274   6.975
   18   3HG2  THR   2          HG22      THR   2  -7.950  -0.270   7.703
   19    OH   TYR   3           OH       TYR   3 -11.639  -0.057  -1.111
   20    H    TYR   3           HN       TYR   3  -7.881  -0.307   3.271
   21    HA   TYR   3           HA       TYR   3  -7.797  -3.265   2.920
   22   1HB   TYR   3           HB2      TYR   3  -6.159  -1.253   1.379
   23   2HB   TYR   3           HB1      TYR   3  -6.592  -2.891   0.910
   24    HD1  TYR   3           HD1      TYR   3  -8.014   0.488   1.546
   25    HD2  TYR   3           HD2      TYR   3  -8.651  -3.330  -0.205
   26    HE1  TYR   3           HE1      TYR   3 -10.040   1.328   0.449
   27    HE2  TYR   3           HE2      TYR   3 -10.679  -2.497  -1.297
   28    HH   TYR   3           HH       TYR   3 -11.371   0.532  -1.822
   29    H    LYS   4           HN       LYS   4  -5.573  -4.229   2.743
   30    HA   LYS   4           HA       LYS   4  -3.847  -3.125   4.930
   31   1HB   LYS   4           HB2      LYS   4  -5.052  -5.522   4.924
   32   2HB   LYS   4           HB1      LYS   4  -3.614  -5.955   4.018
   33   1HG   LYS   4           HG2      LYS   4  -2.394  -4.608   5.976
   34   2HG   LYS   4           HG1      LYS   4  -3.849  -5.057   6.859
   35   1HD   LYS   4           HD2      LYS   4  -3.379  -7.446   5.840
   36   2HD   LYS   4           HD1      LYS   4  -1.739  -6.832   5.665
   37   1HE   LYS   4           HE2      LYS   4  -1.629  -7.709   7.818
   38   2HE   LYS   4           HE1      LYS   4  -2.106  -6.055   8.175
   39   1HZ   LYS   4           HZ1      LYS   4  -4.455  -7.379   7.710
   40   2HZ   LYS   4           HZ3      LYS   4  -3.527  -8.477   8.616
   41   3HZ   LYS   4           HZ2      LYS   4  -3.832  -6.920   9.222
   42    H    LEU   5           HN       LEU   5  -1.937  -2.339   4.271
   43    HA   LEU   5           HA       LEU   5  -1.001  -2.959   1.545
   44   1HB   LEU   5           HB2      LEU   5  -0.876  -0.634   2.144
   45   2HB   LEU   5           HB1      LEU   5  -0.109  -0.995   3.682
   46    HG   LEU   5           HG       LEU   5   1.926  -1.830   2.382
   47   1HD1  LEU   5          HD12      LEU   5   0.423  -0.577   0.061
   48   2HD1  LEU   5          HD11      LEU   5   2.085  -1.147   0.010
   49   3HD1  LEU   5          HD13      LEU   5   0.772  -2.293   0.231
   50   1HD2  LEU   5          HD23      LEU   5   1.642   0.513   3.316
   51   2HD2  LEU   5          HD22      LEU   5   2.778   0.367   1.978
   52   3HD2  LEU   5          HD21      LEU   5   1.166   1.007   1.697
   53    H    ILE   6           HN       ILE   6   1.023  -3.859   1.091
   54    HA   ILE   6           HA       ILE   6   2.464  -5.127   3.339
   55    HB   ILE   6           HB       ILE   6   1.575  -6.332   0.731
   56   1HG1  ILE   6          HG12      ILE   6   1.586  -7.360   3.596
   57   2HG1  ILE   6          HG11      ILE   6   0.213  -6.560   2.848
   58   1HG2  ILE   6          HG22      ILE   6   3.975  -7.020   2.433
   59   2HG2  ILE   6          HG21      ILE   6   3.151  -8.274   1.514
   60   3HG2  ILE   6          HG23      ILE   6   3.871  -6.906   0.679
   61   1HD1  ILE   6           HD3      ILE   6   0.719  -8.468   0.969
   62   2HD1  ILE   6           HD2      ILE   6   1.261  -9.309   2.417
   63   3HD1  ILE   6           HD1      ILE   6  -0.389  -8.711   2.313
   64    H    LEU   7           HN       LEU   7   4.227  -3.852   3.424
   65    HA   LEU   7           HA       LEU   7   5.458  -2.767   1.016
   66   1HB   LEU   7           HB2      LEU   7   6.180  -2.682   3.936
   67   2HB   LEU   7           HB1      LEU   7   7.204  -1.968   2.696
   68    HG   LEU   7           HG       LEU   7   4.295  -1.295   2.622
   69   1HD1  LEU   7          HD12      LEU   7   6.256  -0.366   4.729
   70   2HD1  LEU   7          HD11      LEU   7   4.880   0.623   4.252
   71   3HD1  LEU   7          HD13      LEU   7   4.617  -0.968   4.959
   72   1HD2  LEU   7          HD22      LEU   7   6.272  -0.516   1.071
   73   2HD2  LEU   7          HD21      LEU   7   5.079   0.667   1.595
   74   3HD2  LEU   7          HD23      LEU   7   6.643   0.578   2.399
   75    H    ASN   8           HN       ASN   8   6.646  -4.012  -0.287
   76    HA   ASN   8           HA       ASN   8   8.366  -6.113   0.954
   77   1HB   ASN   8           HB2      ASN   8   6.851  -5.875  -1.554
   78   2HB   ASN   8           HB1      ASN   8   8.478  -6.484  -1.784
   79   1HD2  ASN   8          HD22      ASN   8   5.740  -8.989  -0.522
   80   2HD2  ASN   8          HD21      ASN   8   5.455  -7.568  -1.394
   81    H    GLY   9           HN       GLY   9   9.137  -3.441   1.203
   82   1HA   GLY   9           HA2      GLY   9  10.811  -2.394  -0.808
   83   2HA   GLY   9           HA1      GLY   9  11.056  -2.109   0.909
   84    H    LYS  10           HN       LYS  10  12.979  -2.612  -1.289
   85    HA   LYS  10           HA       LYS  10  14.093  -5.223  -1.139
   86   1HB   LYS  10           HB2      LYS  10  14.684  -3.366  -2.781
   87   2HB   LYS  10           HB1      LYS  10  15.687  -2.684  -1.506
   88   1HG   LYS  10           HG2      LYS  10  16.743  -5.043  -1.339
   89   2HG   LYS  10           HG1      LYS  10  15.985  -5.349  -2.898
   90   1HD   LYS  10           HD2      LYS  10  17.092  -3.083  -3.601
   91   2HD   LYS  10           HD1      LYS  10  18.130  -3.349  -2.205
   92   1HE   LYS  10           HE2      LYS  10  19.301  -4.390  -3.979
   93   2HE   LYS  10           HE1      LYS  10  18.489  -5.727  -3.175
   94   1HZ   LYS  10           HZ2      LYS  10  16.668  -5.452  -4.822
   95   2HZ   LYS  10           HZ1      LYS  10  17.649  -4.345  -5.656
   96   3HZ   LYS  10           HZ3      LYS  10  18.146  -5.959  -5.487
   97    H    THR  11           HN       THR  11  15.164  -2.270   0.532
   98    HA   THR  11           HA       THR  11  16.612  -3.965   2.488
   99    HB   THR  11           HB       THR  11  17.291  -1.473   3.243
  100    HG1  THR  11           HG1      THR  11  15.627  -1.145   1.272
  101   1HG2  THR  11          HG22      THR  11  18.811  -3.210   2.133
  102   2HG2  THR  11          HG21      THR  11  18.250  -2.586   0.584
  103   3HG2  THR  11          HG23      THR  11  19.151  -1.542   1.680
  104    H    LEU  12           HN       LEU  12  13.561  -3.055   2.215
  105    HA   LEU  12           HA       LEU  12  13.207  -2.944   5.149
  106   1HB   LEU  12           HB2      LEU  12  13.444  -0.560   4.202
  107   2HB   LEU  12           HB1      LEU  12  11.870  -0.833   3.464
  108    HG   LEU  12           HG       LEU  12  11.361  -1.694   5.994
  109   1HD1  LEU  12          HD12      LEU  12  13.749  -0.974   6.591
  110   2HD1  LEU  12          HD11      LEU  12  13.206   0.684   6.352
  111   3HD1  LEU  12          HD13      LEU  12  12.474  -0.311   7.608
  112   1HD2  LEU  12          HD21      LEU  12  11.257   1.142   4.914
  113   2HD2  LEU  12          HD23      LEU  12   9.994  -0.079   4.786
  114   3HD2  LEU  12          HD22      LEU  12  10.401   0.606   6.356
  115    H    LYS  13           HN       LYS  13  11.231  -3.716   5.830
  116    HA   LYS  13           HA       LYS  13   9.171  -4.300   3.776
  117   1HB   LYS  13           HB2      LYS  13  10.481  -6.367   5.550
  118   2HB   LYS  13           HB1      LYS  13   8.959  -6.642   4.718
  119   1HG   LYS  13           HG2      LYS  13  10.075  -6.167   2.549
  120   2HG   LYS  13           HG1      LYS  13  11.597  -5.922   3.392
  121   1HD   LYS  13           HD2      LYS  13  10.134  -8.480   3.902
  122   2HD   LYS  13           HD1      LYS  13  10.952  -8.301   2.355
  123   1HE   LYS  13           HE2      LYS  13  13.070  -7.992   3.383
  124   2HE   LYS  13           HE1      LYS  13  12.352  -7.653   4.952
  125   1HZ   LYS  13           HZ3      LYS  13  11.427 -10.128   4.362
  126   2HZ   LYS  13           HZ2      LYS  13  13.012 -10.167   3.752
  127   3HZ   LYS  13           HZ1      LYS  13  12.739  -9.778   5.383
  128    H    GLY  14           HN       GLY  14   7.129  -4.087   4.558
  129   1HA   GLY  14           HA2      GLY  14   6.544  -4.382   7.403
  130   2HA   GLY  14           HA1      GLY  14   6.506  -2.708   6.863
  131    H    GLU  15           HN       GLU  15   4.229  -2.865   7.527
  132    HA   GLU  15           HA       GLU  15   2.482  -3.199   5.278
  133   1HB   GLU  15           HB2      GLU  15   1.132  -5.101   6.146
  134   2HB   GLU  15           HB1      GLU  15   2.765  -5.591   5.719
  135   1HG   GLU  15           HG2      GLU  15   2.969  -4.762   8.390
  136   2HG   GLU  15           HG1      GLU  15   1.450  -5.651   8.320
  137    H    THR  16           HN       THR  16   0.692  -1.982   5.634
  138    HA   THR  16           HA       THR  16  -0.264  -1.567   8.404
  139    HB   THR  16           HB       THR  16   1.366   0.251   8.230
  140    HG1  THR  16           HG1      THR  16  -0.126   1.695   8.798
  141   1HG2  THR  16          HG22      THR  16   0.812   0.189   5.490
  142   2HG2  THR  16          HG21      THR  16  -0.003   1.651   6.037
  143   3HG2  THR  16          HG23      THR  16   1.725   1.452   6.310
  144    H    THR  17           HN       THR  17  -2.374  -0.615   8.501
  145    HA   THR  17           HA       THR  17  -3.889  -0.964   5.945
  146    HB   THR  17           HB       THR  17  -5.752  -1.682   7.249
  147    HG1  THR  17           HG1      THR  17  -4.484   0.069   8.983
  148   1HG2  THR  17          HG22      THR  17  -3.356  -2.959   7.742
  149   2HG2  THR  17          HG21      THR  17  -3.831  -2.472   9.365
  150   3HG2  THR  17          HG23      THR  17  -4.899  -3.489   8.403
  151    H    THR  18           HN       THR  18  -5.182   0.646   5.179
  152    HA   THR  18           HA       THR  18  -5.450   3.130   6.817
  153    HB   THR  18           HB       THR  18  -3.573   3.193   4.962
  154    HG1  THR  18           HG1      THR  18  -5.176   4.861   6.113
  155   1HG2  THR  18          HG22      THR  18  -5.445   2.335   3.254
  156   2HG2  THR  18          HG21      THR  18  -5.911   4.031   3.265
  157   3HG2  THR  18          HG23      THR  18  -4.292   3.565   2.753
  158    H    GLU  19           HN       GLU  19  -7.327   4.319   6.438
  159    HA   GLU  19           HA       GLU  19  -9.523   2.786   5.224
  160   1HB   GLU  19           HB2      GLU  19  -9.875   3.962   7.360
  161   2HB   GLU  19           HB1      GLU  19  -9.505   5.497   6.583
  162   1HG   GLU  19           HG2      GLU  19 -11.561   3.953   5.157
  163   2HG   GLU  19           HG1      GLU  19 -12.036   4.389   6.796
  164    H    ALA  20           HN       ALA  20 -10.361   3.137   3.248
  165    HA   ALA  20           HA       ALA  20  -9.792   5.721   1.878
  166   1HB   ALA  20           HB2      ALA  20  -8.690   3.112   1.190
  167   2HB   ALA  20           HB1      ALA  20  -9.592   3.817  -0.147
  168   3HB   ALA  20           HB3      ALA  20  -8.253   4.702   0.577
  169    H    VAL  21           HN       VAL  21 -11.500   6.483   0.766
  170    HA   VAL  21           HA       VAL  21 -14.036   5.090   0.929
  171    HB   VAL  21           HB       VAL  21 -13.617   7.637   0.887
  172   1HG1  VAL  21          HG12      VAL  21 -12.271   7.306  -1.332
  173   2HG1  VAL  21          HG11      VAL  21 -13.856   7.263  -2.098
  174   3HG1  VAL  21          HG13      VAL  21 -13.349   8.694  -1.206
  175   1HG2  VAL  21          HG23      VAL  21 -15.749   6.051  -0.465
  176   2HG2  VAL  21          HG22      VAL  21 -15.877   7.178   0.881
  177   3HG2  VAL  21          HG21      VAL  21 -15.749   7.786  -0.767
  178    H    ASP  22           HN       ASP  22 -11.490   5.258  -1.392
  179    HA   ASP  22           HA       ASP  22 -12.932   3.323  -3.093
  180   1HB   ASP  22           HB2      ASP  22 -12.537   4.640  -5.150
  181   2HB   ASP  22           HB1      ASP  22 -13.585   5.506  -4.029
  182    H    ALA  23           HN       ALA  23 -11.423   2.671  -4.982
  183    HA   ALA  23           HA       ALA  23  -8.908   1.831  -3.810
  184   1HB   ALA  23           HB2      ALA  23 -10.177   1.534  -6.523
  185   2HB   ALA  23           HB1      ALA  23  -8.516   1.022  -6.248
  186   3HB   ALA  23           HB3      ALA  23  -9.827   0.286  -5.331
  187    H    ALA  24           HN       ALA  24  -9.922   4.544  -5.637
  188    HA   ALA  24           HA       ALA  24  -7.337   5.180  -6.801
  189   1HB   ALA  24           HB3      ALA  24  -9.669   6.005  -7.549
  190   2HB   ALA  24           HB2      ALA  24  -9.521   7.182  -6.247
  191   3HB   ALA  24           HB1      ALA  24  -8.352   7.174  -7.564
  192    H    THR  25           HN       THR  25  -9.192   6.577  -4.098
  193    HA   THR  25           HA       THR  25  -7.107   8.320  -3.230
  194    HB   THR  25           HB       THR  25  -9.661   8.214  -2.508
  195    HG1  THR  25           HG1      THR  25  -8.187   9.782  -1.851
  196   1HG2  THR  25          HG23      THR  25  -9.103   5.904  -1.322
  197   2HG2  THR  25          HG22      THR  25  -8.378   6.940  -0.097
  198   3HG2  THR  25          HG21      THR  25 -10.090   7.089  -0.475
  199    H    ALA  26           HN       ALA  26  -7.707   4.935  -2.690
  200    HA   ALA  26           HA       ALA  26  -5.969   4.610  -0.421
  201   1HB   ALA  26           HB3      ALA  26  -7.638   2.909  -1.108
  202   2HB   ALA  26           HB2      ALA  26  -6.692   2.586  -2.558
  203   3HB   ALA  26           HB1      ALA  26  -6.024   2.220  -0.970
  204    H    GLU  27           HN       GLU  27  -5.459   4.525  -3.902
  205    HA   GLU  27           HA       GLU  27  -2.792   3.538  -3.909
  206   1HB   GLU  27           HB2      GLU  27  -4.464   5.156  -5.775
  207   2HB   GLU  27           HB1      GLU  27  -2.731   5.119  -6.060
  208   1HG   GLU  27           HG2      GLU  27  -2.785   2.642  -6.068
  209   2HG   GLU  27           HG1      GLU  27  -4.520   2.684  -5.780
  210    H    LYS  28           HN       LYS  28  -3.979   6.899  -3.857
  211    HA   LYS  28           HA       LYS  28  -1.284   7.967  -3.633
  212   1HB   LYS  28           HB2      LYS  28  -2.253  10.051  -3.810
  213   2HB   LYS  28           HB1      LYS  28  -3.542   9.077  -4.502
  214   1HG   LYS  28           HG2      LYS  28  -4.475   8.909  -2.099
  215   2HG   LYS  28           HG1      LYS  28  -3.365  10.221  -1.705
  216   1HD   LYS  28           HD2      LYS  28  -4.486  11.201  -3.983
  217   2HD   LYS  28           HD1      LYS  28  -5.835  10.273  -3.343
  218   1HE   LYS  28           HE2      LYS  28  -5.997  12.484  -2.398
  219   2HE   LYS  28           HE1      LYS  28  -5.443  11.418  -1.114
  220   1HZ   LYS  28           HZ2      LYS  28  -3.115  12.130  -1.978
  221   2HZ   LYS  28           HZ1      LYS  28  -3.961  13.467  -2.596
  222   3HZ   LYS  28           HZ3      LYS  28  -3.986  13.143  -0.928
  223    H    VAL  29           HN       VAL  29  -3.764   7.023  -1.365
  224    HA   VAL  29           HA       VAL  29  -2.688   8.403   0.916
  225    HB   VAL  29           HB       VAL  29  -4.385   5.913   0.683
  226   1HG1  VAL  29          HG11      VAL  29  -3.359   7.418   3.097
  227   2HG1  VAL  29          HG13      VAL  29  -4.833   6.458   3.166
  228   3HG1  VAL  29          HG12      VAL  29  -3.297   5.685   2.792
  229   1HG2  VAL  29          HG23      VAL  29  -5.033   8.513   0.184
  230   2HG2  VAL  29          HG22      VAL  29  -6.181   7.338   0.822
  231   3HG2  VAL  29          HG21      VAL  29  -5.348   8.438   1.915
  232    H    PHE  30           HN       PHE  30  -2.494   4.936   0.097
  233    HA   PHE  30           HA       PHE  30  -0.485   4.325   2.007
  234   1HB   PHE  30           HB2      PHE  30  -1.401   3.032  -0.544
  235   2HB   PHE  30           HB1      PHE  30   0.056   2.439   0.239
  236    HD1  PHE  30           HD1      PHE  30  -0.314   2.268   2.993
  237    HD2  PHE  30           HD2      PHE  30  -3.331   1.838   0.009
  238    HE1  PHE  30           HE1      PHE  30  -1.710   1.007   4.571
  239    HE2  PHE  30           HE2      PHE  30  -4.693   0.548   1.589
  240    HZ   PHE  30           HZ       PHE  30  -3.880   0.110   3.861
  241    H    LYS  31           HN       LYS  31  -0.243   5.444  -1.338
  242    HA   LYS  31           HA       LYS  31   2.582   5.140  -1.616
  243   1HB   LYS  31           HB2      LYS  31   1.060   5.636  -3.508
  244   2HB   LYS  31           HB1      LYS  31   0.794   7.248  -2.850
  245   1HG   LYS  31           HG2      LYS  31   3.634   6.697  -3.017
  246   2HG   LYS  31           HG1      LYS  31   2.874   6.449  -4.585
  247   1HD   LYS  31           HD2      LYS  31   1.828   8.685  -4.435
  248   2HD   LYS  31           HD1      LYS  31   2.569   8.931  -2.858
  249   1HE   LYS  31           HE2      LYS  31   4.760   8.990  -3.774
  250   2HE   LYS  31           HE1      LYS  31   4.237   8.267  -5.289
  251   1HZ   LYS  31           HZ3      LYS  31   3.455  10.958  -4.319
  252   2HZ   LYS  31           HZ2      LYS  31   4.636  10.642  -5.498
  253   3HZ   LYS  31           HZ1      LYS  31   3.009  10.261  -5.802
  254    H    GLN  32           HN       GLN  32   0.610   7.703  -0.240
  255    HA   GLN  32           HA       GLN  32   2.690   9.621   0.141
  256   1HB   GLN  32           HB2      GLN  32   0.190   9.992   0.424
  257   2HB   GLN  32           HB1      GLN  32   0.328   9.186   1.983
  258   1HG   GLN  32           HG2      GLN  32   2.219  10.881   2.485
  259   2HG   GLN  32           HG1      GLN  32   1.606  11.781   1.101
  260   1HE2  GLN  32          HE22      GLN  32  -1.429  12.737   2.731
  261   2HE2  GLN  32          HE21      GLN  32  -0.706  12.493   1.215
  262    OH   TYR  33           OH       TYR  33   5.096   3.032   8.372
  263    H    TYR  33           HN       TYR  33   1.786   6.737   1.847
  264    HA   TYR  33           HA       TYR  33   3.393   7.312   4.211
  265   1HB   TYR  33           HB2      TYR  33   1.425   5.821   4.325
  266   2HB   TYR  33           HB1      TYR  33   2.223   4.700   3.226
  267    HD1  TYR  33           HD1      TYR  33   4.359   3.585   3.941
  268    HD2  TYR  33           HD2      TYR  33   2.014   5.869   6.654
  269    HE1  TYR  33           HE1      TYR  33   5.530   2.547   5.824
  270    HE2  TYR  33           HE2      TYR  33   3.185   4.830   8.542
  271    HH   TYR  33           HH       TYR  33   4.770   3.432   9.182
  272    H    ALA  34           HN       ALA  34   3.665   4.789   1.723
  273    HA   ALA  34           HA       ALA  34   6.207   3.835   2.280
  274   1HB   ALA  34           HB2      ALA  34   4.436   3.742   0.068
  275   2HB   ALA  34           HB1      ALA  34   6.019   4.176  -0.568
  276   3HB   ALA  34           HB3      ALA  34   5.823   2.703   0.375
  277    H    ASN  35           HN       ASN  35   5.354   6.861   0.738
  278    HA   ASN  35           HA       ASN  35   7.923   7.576  -0.263
  279   1HB   ASN  35           HB2      ASN  35   5.713   8.759  -0.701
  280   2HB   ASN  35           HB1      ASN  35   5.903   9.514   0.879
  281   1HD2  ASN  35          HD22      ASN  35   7.527  12.020  -1.116
  282   2HD2  ASN  35          HD21      ASN  35   6.027  11.579  -0.456
  283    H    ASP  36           HN       ASP  36   6.454   7.996   2.917
  284    HA   ASP  36           HA       ASP  36   8.731   9.476   3.976
  285   1HB   ASP  36           HB2      ASP  36   6.169   8.393   5.052
  286   2HB   ASP  36           HB1      ASP  36   7.463   8.706   6.204
  287    H    ASN  37           HN       ASN  37   8.989   6.672   2.798
  288    HA   ASN  37           HA       ASN  37  10.677   5.609   5.011
  289   1HB   ASN  37           HB2      ASN  37   8.586   4.068   3.464
  290   2HB   ASN  37           HB1      ASN  37   9.866   3.285   4.388
  291   1HD2  ASN  37          HD22      ASN  37   6.617   4.633   6.310
  292   2HD2  ASN  37          HD21      ASN  37   6.717   4.516   4.620
  293    H    GLY  38           HN       GLY  38   9.900   5.732   1.599
  294   1HA   GLY  38           HA2      GLY  38  11.644   5.913  -0.084
  295   2HA   GLY  38           HA1      GLY  38  12.740   5.065   1.003
  296    H    VAL  39           HN       VAL  39   9.506   4.386  -0.329
  297    HA   VAL  39           HA       VAL  39  10.589   1.871  -1.506
  298    HB   VAL  39           HB       VAL  39   8.096   2.049   0.210
  299   1HG1  VAL  39          HG11      VAL  39   9.029   0.144  -1.806
  300   2HG1  VAL  39          HG13      VAL  39   8.783  -0.621  -0.240
  301   3HG1  VAL  39          HG12      VAL  39   7.461   0.247  -1.012
  302   1HG2  VAL  39          HG21      VAL  39  10.762   0.655   0.650
  303   2HG2  VAL  39          HG23      VAL  39  10.193   2.077   1.520
  304   3HG2  VAL  39          HG22      VAL  39   9.364   0.537   1.715
  305    H    ASP  40           HN       ASP  40  10.362   2.774  -3.573
  306    HA   ASP  40           HA       ASP  40   7.550   2.885  -4.529
  307   1HB   ASP  40           HB2      ASP  40   9.614   5.059  -4.960
  308   2HB   ASP  40           HB1      ASP  40   8.101   4.949  -5.855
  309    H    GLY  41           HN       GLY  41   7.293   1.914  -6.453
  310   1HA   GLY  41           HA2      GLY  41   9.171   1.878  -8.588
  311   2HA   GLY  41           HA1      GLY  41   9.401   0.407  -7.647
  312    H    GLU  42           HN       GLU  42   7.409  -0.880  -7.229
  313    HA   GLU  42           HA       GLU  42   5.454  -0.666  -9.493
  314   1HB   GLU  42           HB2      GLU  42   6.179  -3.298  -8.285
  315   2HB   GLU  42           HB1      GLU  42   5.587  -2.950  -9.904
  316   1HG   GLU  42           HG2      GLU  42   7.793  -1.741 -10.323
  317   2HG   GLU  42           HG1      GLU  42   8.362  -2.421  -8.801
  318    CH2  TRP  43           CH2      TRP  43   2.244   2.501  -2.220
  319    H    TRP  43           HN       TRP  43   3.359  -0.733  -8.914
  320    HA   TRP  43           HA       TRP  43   2.739  -1.396  -6.058
  321   1HB   TRP  43           HB2      TRP  43   1.658   0.690  -7.925
  322   2HB   TRP  43           HB1      TRP  43   0.739   0.172  -6.521
  323    HD1  TRP  43           HD1      TRP  43   4.297   1.416  -7.388
  324    HE1  TRP  43           HE1      TRP  43   5.095   2.754  -5.381
  325    HE3  TRP  43           HE3      TRP  43   0.423   0.669  -4.361
  326    HZ2  TRP  43           HZ2      TRP  43   4.150   3.363  -2.636
  327    HZ3  TRP  43           HZ3      TRP  43   0.350   1.536  -2.079
  328    HH2  TRP  43           HH2      TRP  43   2.211   2.876  -1.209
  329    H    THR  44           HN       THR  44   1.195  -2.850  -5.640
  330    HA   THR  44           HA       THR  44  -0.458  -3.859  -7.922
  331    HB   THR  44           HB       THR  44  -0.200  -6.165  -6.709
  332    HG1  THR  44           HG1      THR  44   2.196  -5.631  -5.805
  333   1HG2  THR  44          HG22      THR  44   2.095  -4.743  -8.102
  334   2HG2  THR  44          HG21      THR  44   2.185  -6.438  -7.637
  335   3HG2  THR  44          HG23      THR  44   0.982  -5.910  -8.808
  336    OH   TYR  45           OH       TYR  45  -8.920  -1.275  -2.950
  337    H    TYR  45           HN       TYR  45  -2.556  -4.215  -7.504
  338    HA   TYR  45           HA       TYR  45  -3.539  -3.656  -4.727
  339   1HB   TYR  45           HB2      TYR  45  -4.196  -2.185  -6.756
  340   2HB   TYR  45           HB1      TYR  45  -5.174  -3.557  -7.279
  341    HD1  TYR  45           HD1      TYR  45  -6.604  -4.562  -4.988
  342    HD2  TYR  45           HD2      TYR  45  -5.472  -0.542  -5.764
  343    HE1  TYR  45           HE1      TYR  45  -8.347  -3.779  -3.475
  344    HE2  TYR  45           HE2      TYR  45  -7.259   0.239  -4.301
  345    HH   TYR  45           HH       TYR  45  -9.571  -1.976  -2.869
  346    H    ASP  46           HN       ASP  46  -4.483  -5.297  -3.658
  347    HA   ASP  46           HA       ASP  46  -5.167  -7.770  -5.193
  348   1HB   ASP  46           HB2      ASP  46  -3.488  -7.654  -3.137
  349   2HB   ASP  46           HB1      ASP  46  -4.979  -7.760  -2.212
  350    H    ASP  47           HN       ASP  47  -7.256  -7.214  -5.825
  351    HA   ASP  47           HA       ASP  47  -9.203  -6.280  -3.845
  352   1HB   ASP  47           HB2      ASP  47  -9.770  -5.425  -5.917
  353   2HB   ASP  47           HB1      ASP  47  -9.214  -6.859  -6.776
  354    H    ALA  48           HN       ALA  48  -7.907  -9.245  -4.715
  355    HA   ALA  48           HA       ALA  48 -10.291 -10.876  -4.349
  356   1HB   ALA  48           HB1      ALA  48  -8.046 -11.430  -5.593
  357   2HB   ALA  48           HB3      ALA  48  -7.507 -11.936  -3.995
  358   3HB   ALA  48           HB2      ALA  48  -8.904 -12.709  -4.739
  359    H    THR  49           HN       THR  49  -8.171  -9.260  -2.242
  360    HA   THR  49           HA       THR  49  -9.460 -10.590   0.064
  361    HB   THR  49           HB       THR  49  -7.022 -10.750   1.104
  362    HG1  THR  49           HG1      THR  49  -6.147 -11.398  -1.366
  363   1HG2  THR  49          HG21      THR  49  -8.540 -12.722   0.368
  364   2HG2  THR  49          HG23      THR  49  -7.671 -12.661  -1.162
  365   3HG2  THR  49          HG22      THR  49  -6.806 -13.018   0.329
  366    H    LYS  50           HN       LYS  50  -8.969  -7.844  -1.357
  367    HA   LYS  50           HA       LYS  50  -8.736  -5.608  -0.666
  368   1HB   LYS  50           HB2      LYS  50  -9.632  -6.831   1.959
  369   2HB   LYS  50           HB1      LYS  50  -9.657  -5.114   1.577
  370   1HG   LYS  50           HG2      LYS  50 -11.747  -5.460   0.767
  371   2HG   LYS  50           HG1      LYS  50 -10.975  -6.273  -0.588
  372   1HD   LYS  50           HD2      LYS  50 -12.556  -7.842   0.279
  373   2HD   LYS  50           HD1      LYS  50 -10.988  -8.392   0.857
  374   1HE   LYS  50           HE2      LYS  50 -11.792  -6.593   2.821
  375   2HE   LYS  50           HE1      LYS  50 -13.291  -7.399   2.381
  376   1HZ   LYS  50           HZ1      LYS  50 -11.664  -9.481   2.525
  377   2HZ   LYS  50           HZ3      LYS  50 -10.920  -8.467   3.667
  378   3HZ   LYS  50           HZ2      LYS  50 -12.552  -8.902   3.852
  379    H    THR  51           HN       THR  51  -6.361  -6.474  -0.925
  380    HA   THR  51           HA       THR  51  -4.896  -5.542   1.502
  381    HB   THR  51           HB       THR  51  -4.348  -8.151   0.004
  382    HG1  THR  51           HG1      THR  51  -5.024  -7.444   2.677
  383   1HG2  THR  51          HG21      THR  51  -2.402  -6.558   1.228
  384   2HG2  THR  51          HG23      THR  51  -2.930  -7.614   2.526
  385   3HG2  THR  51          HG22      THR  51  -2.305  -8.299   1.034
  386    H    PHE  52           HN       PHE  52  -3.672  -3.848   0.797
  387    HA   PHE  52           HA       PHE  52  -2.994  -3.582  -2.030
  388   1HB   PHE  52           HB2      PHE  52  -2.979  -1.894   0.326
  389   2HB   PHE  52           HB1      PHE  52  -1.483  -1.733  -0.584
  390    HD1  PHE  52           HD1      PHE  52  -1.556  -1.013  -2.995
  391    HD2  PHE  52           HD2      PHE  52  -5.072  -1.198  -0.641
  392    HE1  PHE  52           HE1      PHE  52  -2.765   0.343  -4.663
  393    HE2  PHE  52           HE2      PHE  52  -6.233   0.248  -2.215
  394    HZ   PHE  52           HZ       PHE  52  -5.068   1.063  -4.205
  395    H    THR  53           HN       THR  53  -0.722  -3.408  -2.757
  396    HA   THR  53           HA       THR  53   1.351  -4.404  -0.942
  397    HB   THR  53           HB       THR  53   0.471  -6.094  -3.313
  398    HG1  THR  53           HG1      THR  53  -0.522  -7.189  -1.772
  399   1HG2  THR  53          HG22      THR  53   2.876  -6.078  -1.533
  400   2HG2  THR  53          HG21      THR  53   2.106  -7.641  -1.789
  401   3HG2  THR  53          HG23      THR  53   2.710  -6.723  -3.164
  402    H    VAL  54           HN       VAL  54   3.276  -3.594  -1.507
  403    HA   VAL  54           HA       VAL  54   3.658  -2.696  -4.337
  404    HB   VAL  54           HB       VAL  54   3.134  -0.783  -2.757
  405   1HG1  VAL  54          HG13      VAL  54   4.408  -1.923  -0.859
  406   2HG1  VAL  54          HG12      VAL  54   5.882  -1.367  -1.640
  407   3HG1  VAL  54          HG11      VAL  54   4.700  -0.201  -1.057
  408   1HG2  VAL  54          HG22      VAL  54   5.854  -0.929  -4.091
  409   2HG2  VAL  54          HG21      VAL  54   4.366  -0.295  -4.776
  410   3HG2  VAL  54          HG23      VAL  54   5.164   0.562  -3.466
  411    H    THR  55           HN       THR  55   5.810  -2.821  -5.069
  412    HA   THR  55           HA       THR  55   7.760  -4.144  -3.246
  413    HB   THR  55           HB       THR  55   7.349  -5.176  -6.066
  414    HG1  THR  55           HG1      THR  55   6.110  -6.770  -4.563
  415   1HG2  THR  55          HG21      THR  55   9.108  -5.851  -3.942
  416   2HG2  THR  55          HG23      THR  55   7.842  -7.076  -3.918
  417   3HG2  THR  55          HG22      THR  55   8.784  -6.813  -5.376
  418    H    GLU  56           HN       GLU  56   9.403  -2.693  -3.261
  419    HA   GLU  56           HA       GLU  56   9.966  -0.841  -5.346
  420   1HB   GLU  56           HB2      GLU  56  10.911  -1.212  -2.819
  421   2HB   GLU  56           HB1      GLU  56  12.285  -1.767  -3.766
  422   1HG   GLU  56           HG2      GLU  56  12.012   0.389  -5.141
  423   2HG   GLU  56           HG1      GLU  56  10.931   0.940  -3.864
   
  Start of MODEL          50
 Raw file had 423 H/Q atoms
  Entry Start of MODEL   50
    1   1H    MET   1           HT3      MET   1 -13.666  -0.733   5.667
    2   2H    MET   1           HT2      MET   1 -14.614   0.658   5.450
    3   3H    MET   1           HT1      MET   1 -15.104  -0.818   4.768
    4    HA   MET   1           HA       MET   1 -13.587  -0.737   3.087
    5   1HB   MET   1           HB2      MET   1 -14.572   1.977   3.822
    6   2HB   MET   1           HB1      MET   1 -13.325   1.886   2.584
    7   1HG   MET   1           HG2      MET   1 -15.706   0.068   2.469
    8   2HG   MET   1           HG1      MET   1 -15.856   1.716   1.920
    9   1HE   MET   1           HE2      MET   1 -16.573   1.499  -0.305
   10   2HE   MET   1           HE1      MET   1 -16.001   0.333  -1.499
   11   3HE   MET   1           HE3      MET   1 -16.827  -0.228  -0.045
   12    H    THR   2           HN       THR   2 -11.752  -1.590   4.380
   13    HA   THR   2           HA       THR   2  -9.536   0.396   4.368
   14    HB   THR   2           HB       THR   2  -9.862  -1.579   6.652
   15    HG1  THR   2           HG1      THR   2 -11.409  -0.243   7.213
   16   1HG2  THR   2          HG21      THR   2  -7.648  -0.204   5.994
   17   2HG2  THR   2          HG23      THR   2  -8.528   1.104   6.777
   18   3HG2  THR   2          HG22      THR   2  -8.146  -0.359   7.677
   19    OH   TYR   3           OH       TYR   3 -11.555   0.265  -1.033
   20    H    TYR   3           HN       TYR   3  -7.825  -0.384   3.301
   21    HA   TYR   3           HA       TYR   3  -7.741  -3.322   2.753
   22   1HB   TYR   3           HB2      TYR   3  -6.097  -1.248   1.323
   23   2HB   TYR   3           HB1      TYR   3  -6.582  -2.839   0.761
   24    HD1  TYR   3           HD1      TYR   3  -7.973   0.492   1.725
   25    HD2  TYR   3           HD2      TYR   3  -8.582  -3.096  -0.464
   26    HE1  TYR   3           HE1      TYR   3  -9.987   1.453   0.707
   27    HE2  TYR   3           HE2      TYR   3 -10.590  -2.136  -1.488
   28    HH   TYR   3           HH       TYR   3 -12.182  -0.447  -1.181
   29    H    LYS   4           HN       LYS   4  -5.584  -4.320   2.674
   30    HA   LYS   4           HA       LYS   4  -3.831  -3.213   4.838
   31   1HB   LYS   4           HB2      LYS   4  -5.060  -5.591   4.873
   32   2HB   LYS   4           HB1      LYS   4  -3.650  -6.059   3.940
   33   1HG   LYS   4           HG2      LYS   4  -2.385  -4.703   5.881
   34   2HG   LYS   4           HG1      LYS   4  -3.822  -5.167   6.782
   35   1HD   LYS   4           HD2      LYS   4  -2.011  -7.073   5.262
   36   2HD   LYS   4           HD1      LYS   4  -2.050  -6.877   7.010
   37   1HE   LYS   4           HE2      LYS   4  -3.534  -8.630   6.862
   38   2HE   LYS   4           HE1      LYS   4  -4.679  -7.327   6.574
   39   1HZ   LYS   4           HZ1      LYS   4  -3.544  -7.892   4.130
   40   2HZ   LYS   4           HZ3      LYS   4  -3.866  -9.401   4.836
   41   3HZ   LYS   4           HZ2      LYS   4  -5.116  -8.269   4.644
   42    H    LEU   5           HN       LEU   5  -1.978  -2.354   4.097
   43    HA   LEU   5           HA       LEU   5  -1.016  -3.026   1.405
   44   1HB   LEU   5           HB2      LEU   5  -0.853  -0.708   2.013
   45   2HB   LEU   5           HB1      LEU   5  -0.092  -1.091   3.549
   46    HG   LEU   5           HG       LEU   5   1.932  -1.947   2.248
   47   1HD1  LEU   5          HD13      LEU   5   0.482  -0.642  -0.080
   48   2HD1  LEU   5          HD12      LEU   5   2.117  -1.289  -0.118
   49   3HD1  LEU   5          HD11      LEU   5   0.751  -2.371   0.089
   50   1HD2  LEU   5          HD22      LEU   5   1.654   0.412   3.181
   51   2HD2  LEU   5          HD21      LEU   5   2.825   0.232   1.880
   52   3HD2  LEU   5          HD23      LEU   5   1.234   0.902   1.545
   53    H    ILE   6           HN       ILE   6   1.018  -3.924   0.949
   54    HA   ILE   6           HA       ILE   6   2.398  -5.277   3.185
   55    HB   ILE   6           HB       ILE   6   1.585  -6.354   0.503
   56   1HG1  ILE   6          HG12      ILE   6   1.542  -7.519   3.313
   57   2HG1  ILE   6          HG11      ILE   6   0.179  -6.698   2.571
   58   1HG2  ILE   6          HG22      ILE   6   3.950  -7.119   2.221
   59   2HG2  ILE   6          HG21      ILE   6   3.159  -8.322   1.211
   60   3HG2  ILE   6          HG23      ILE   6   3.889  -6.904   0.475
   61   1HD1  ILE   6           HD1      ILE   6   0.749  -8.509   0.618
   62   2HD1  ILE   6           HD3      ILE   6   1.265  -9.413   2.038
   63   3HD1  ILE   6           HD2      ILE   6  -0.387  -8.824   1.923
   64    H    LEU   7           HN       LEU   7   4.179  -4.043   3.394
   65    HA   LEU   7           HA       LEU   7   5.486  -2.845   1.081
   66   1HB   LEU   7           HB2      LEU   7   6.119  -2.910   4.021
   67   2HB   LEU   7           HB1      LEU   7   7.193  -2.155   2.849
   68    HG   LEU   7           HG       LEU   7   4.336  -1.409   2.602
   69   1HD1  LEU   7          HD11      LEU   7   6.032  -0.517   4.959
   70   2HD1  LEU   7          HD13      LEU   7   4.488   0.194   4.500
   71   3HD1  LEU   7          HD12      LEU   7   4.559  -1.477   5.055
   72   1HD2  LEU   7          HD21      LEU   7   6.180  -0.414   1.254
   73   2HD2  LEU   7          HD23      LEU   7   5.354   0.802   2.225
   74   3HD2  LEU   7          HD22      LEU   7   6.921   0.181   2.737
   75    H    ASN   8           HN       ASN   8   6.694  -4.037  -0.253
   76    HA   ASN   8           HA       ASN   8   8.344  -6.228   0.924
   77   1HB   ASN   8           HB2      ASN   8   6.835  -5.887  -1.551
   78   2HB   ASN   8           HB1      ASN   8   8.477  -6.413  -1.855
   79   1HD2  ASN   8          HD22      ASN   8   5.911  -9.144  -0.820
   80   2HD2  ASN   8          HD21      ASN   8   5.587  -7.705  -1.648
   81    H    GLY   9           HN       GLY   9   9.089  -3.514   1.225
   82   1HA   GLY   9           HA2      GLY   9  10.886  -2.545  -0.740
   83   2HA   GLY   9           HA1      GLY   9  10.992  -2.150   0.969
   84    H    LYS  10           HN       LYS  10  13.075  -2.788  -1.059
   85    HA   LYS  10           HA       LYS  10  14.183  -5.377  -0.608
   86   1HB   LYS  10           HB2      LYS  10  15.250  -2.749  -1.554
   87   2HB   LYS  10           HB1      LYS  10  16.398  -4.010  -1.128
   88   1HG   LYS  10           HG2      LYS  10  14.066  -4.767  -2.851
   89   2HG   LYS  10           HG1      LYS  10  15.355  -3.843  -3.600
   90   1HD   LYS  10           HD2      LYS  10  15.786  -6.406  -2.015
   91   2HD   LYS  10           HD1      LYS  10  15.660  -6.350  -3.766
   92   1HE   LYS  10           HE2      LYS  10  17.936  -5.662  -2.040
   93   2HE   LYS  10           HE1      LYS  10  17.917  -6.062  -3.750
   94   1HZ   LYS  10           HZ2      LYS  10  17.093  -3.767  -4.154
   95   2HZ   LYS  10           HZ1      LYS  10  17.391  -3.423  -2.517
   96   3HZ   LYS  10           HZ3      LYS  10  18.675  -3.855  -3.541
   97    H    THR  11           HN       THR  11  15.175  -2.275   0.834
   98    HA   THR  11           HA       THR  11  16.563  -3.756   2.981
   99    HB   THR  11           HB       THR  11  17.029  -1.185   3.634
  100    HG1  THR  11           HG1      THR  11  15.803  -0.169   2.174
  101   1HG2  THR  11          HG22      THR  11  18.727  -2.856   2.698
  102   2HG2  THR  11          HG21      THR  11  18.196  -2.375   1.090
  103   3HG2  THR  11          HG23      THR  11  18.964  -1.199   2.152
  104    H    LEU  12           HN       LEU  12  13.473  -3.022   2.495
  105    HA   LEU  12           HA       LEU  12  12.935  -2.883   5.393
  106   1HB   LEU  12           HB2      LEU  12  13.128  -0.502   4.640
  107   2HB   LEU  12           HB1      LEU  12  11.818  -0.792   3.507
  108    HG   LEU  12           HG       LEU  12  10.337  -1.435   5.419
  109   1HD1  LEU  12          HD13      LEU  12  12.894  -0.964   6.906
  110   2HD1  LEU  12          HD12      LEU  12  11.395  -0.480   7.690
  111   3HD1  LEU  12          HD11      LEU  12  11.633  -2.155   7.204
  112   1HD2  LEU  12          HD21      LEU  12  10.617   0.957   4.510
  113   2HD2  LEU  12          HD23      LEU  12   9.903   0.805   6.113
  114   3HD2  LEU  12          HD22      LEU  12  11.594   1.265   5.942
  115    H    LYS  13           HN       LYS  13  11.103  -3.960   5.926
  116    HA   LYS  13           HA       LYS  13   9.097  -4.503   3.796
  117   1HB   LYS  13           HB2      LYS  13  10.362  -6.637   5.538
  118   2HB   LYS  13           HB1      LYS  13   9.023  -6.896   4.432
  119   1HG   LYS  13           HG2      LYS  13  10.454  -6.173   2.536
  120   2HG   LYS  13           HG1      LYS  13  11.790  -5.918   3.650
  121   1HD   LYS  13           HD2      LYS  13  12.035  -8.112   2.591
  122   2HD   LYS  13           HD1      LYS  13  11.688  -8.321   4.302
  123   1HE   LYS  13           HE2      LYS  13   9.543  -9.120   3.911
  124   2HE   LYS  13           HE1      LYS  13   9.369  -8.227   2.406
  125   1HZ   LYS  13           HZ2      LYS  13  11.142 -10.574   2.780
  126   2HZ   LYS  13           HZ1      LYS  13   9.599 -10.624   2.072
  127   3HZ   LYS  13           HZ3      LYS  13  10.848  -9.749   1.324
  128    H    GLY  14           HN       GLY  14   7.035  -4.381   4.547
  129   1HA   GLY  14           HA2      GLY  14   6.370  -4.977   7.317
  130   2HA   GLY  14           HA1      GLY  14   6.356  -3.249   6.988
  131    H    GLU  15           HN       GLU  15   4.095  -3.286   7.471
  132    HA   GLU  15           HA       GLU  15   2.411  -3.453   5.174
  133   1HB   GLU  15           HB2      GLU  15   0.932  -5.328   5.981
  134   2HB   GLU  15           HB1      GLU  15   2.522  -5.861   5.451
  135   1HG   GLU  15           HG2      GLU  15   2.739  -5.180   8.217
  136   2HG   GLU  15           HG1      GLU  15   1.307  -6.187   8.035
  137    H    THR  16           HN       THR  16   0.721  -2.115   5.531
  138    HA   THR  16           HA       THR  16  -0.260  -1.752   8.316
  139    HB   THR  16           HB       THR  16   1.385   0.042   8.163
  140    HG1  THR  16           HG1      THR  16  -0.452   0.814   9.046
  141   1HG2  THR  16          HG22      THR  16   0.840  -0.022   5.406
  142   2HG2  THR  16          HG21      THR  16   0.121   1.488   5.955
  143   3HG2  THR  16          HG23      THR  16   1.832   1.177   6.228
  144    H    THR  17           HN       THR  17  -2.356  -0.825   8.448
  145    HA   THR  17           HA       THR  17  -3.894  -1.104   5.901
  146    HB   THR  17           HB       THR  17  -5.753  -1.835   7.201
  147    HG1  THR  17           HG1      THR  17  -4.311  -0.621   9.342
  148   1HG2  THR  17          HG21      THR  17  -3.327  -3.110   7.709
  149   2HG2  THR  17          HG23      THR  17  -3.896  -2.702   9.322
  150   3HG2  THR  17          HG22      THR  17  -4.895  -3.687   8.259
  151    H    THR  18           HN       THR  18  -5.078   0.555   5.126
  152    HA   THR  18           HA       THR  18  -5.327   3.015   6.813
  153    HB   THR  18           HB       THR  18  -3.537   3.069   4.873
  154    HG1  THR  18           HG1      THR  18  -3.891   5.096   5.355
  155   1HG2  THR  18          HG23      THR  18  -5.501   2.232   3.251
  156   2HG2  THR  18          HG22      THR  18  -5.936   3.936   3.282
  157   3HG2  THR  18          HG21      THR  18  -4.349   3.444   2.702
  158    H    GLU  19           HN       GLU  19  -7.186   4.275   6.445
  159    HA   GLU  19           HA       GLU  19  -9.454   2.730   5.368
  160   1HB   GLU  19           HB2      GLU  19  -9.556   4.006   7.549
  161   2HB   GLU  19           HB1      GLU  19  -9.493   5.490   6.604
  162   1HG   GLU  19           HG2      GLU  19 -11.528   4.780   5.370
  163   2HG   GLU  19           HG1      GLU  19 -11.598   3.313   6.343
  164    H    ALA  20           HN       ALA  20 -10.132   2.948   3.346
  165    HA   ALA  20           HA       ALA  20  -9.877   5.596   2.009
  166   1HB   ALA  20           HB1      ALA  20  -8.465   3.125   1.304
  167   2HB   ALA  20           HB3      ALA  20  -9.355   3.827  -0.042
  168   3HB   ALA  20           HB2      ALA  20  -8.141   4.779   0.804
  169    H    VAL  21           HN       VAL  21 -11.705   6.145   0.989
  170    HA   VAL  21           HA       VAL  21 -13.994   4.382   1.039
  171    HB   VAL  21           HB       VAL  21 -14.435   6.717   1.216
  172   1HG1  VAL  21          HG12      VAL  21 -12.438   6.841  -0.970
  173   2HG1  VAL  21          HG11      VAL  21 -13.766   7.987  -1.112
  174   3HG1  VAL  21          HG13      VAL  21 -12.751   7.989   0.326
  175   1HG2  VAL  21          HG22      VAL  21 -15.897   5.263  -0.370
  176   2HG2  VAL  21          HG21      VAL  21 -16.073   7.012  -0.471
  177   3HG2  VAL  21          HG23      VAL  21 -15.115   6.151  -1.672
  178    H    ASP  22           HN       ASP  22 -11.534   5.097  -1.302
  179    HA   ASP  22           HA       ASP  22 -12.728   3.058  -3.099
  180   1HB   ASP  22           HB2      ASP  22 -12.629   4.438  -5.045
  181   2HB   ASP  22           HB1      ASP  22 -13.434   5.407  -3.814
  182    H    ALA  23           HN       ALA  23 -11.139   2.601  -4.955
  183    HA   ALA  23           HA       ALA  23  -8.593   1.903  -3.767
  184   1HB   ALA  23           HB3      ALA  23  -9.865   1.580  -6.457
  185   2HB   ALA  23           HB2      ALA  23  -8.128   1.330  -6.307
  186   3HB   ALA  23           HB1      ALA  23  -9.246   0.348  -5.364
  187    H    ALA  24           HN       ALA  24  -9.687   4.378  -6.012
  188    HA   ALA  24           HA       ALA  24  -7.184   5.321  -6.924
  189   1HB   ALA  24           HB3      ALA  24  -9.751   6.066  -7.355
  190   2HB   ALA  24           HB2      ALA  24  -9.227   7.379  -6.306
  191   3HB   ALA  24           HB1      ALA  24  -8.372   7.062  -7.812
  192    H    THR  25           HN       THR  25  -9.091   6.551  -4.174
  193    HA   THR  25           HA       THR  25  -7.032   8.311  -3.238
  194    HB   THR  25           HB       THR  25  -9.617   8.136  -2.576
  195    HG1  THR  25           HG1      THR  25  -8.106   9.729  -1.947
  196   1HG2  THR  25          HG23      THR  25  -9.042   5.862  -1.364
  197   2HG2  THR  25          HG22      THR  25  -8.295   6.905  -0.156
  198   3HG2  THR  25          HG21      THR  25 -10.014   7.050  -0.504
  199    H    ALA  26           HN       ALA  26  -7.557   4.914  -2.885
  200    HA   ALA  26           HA       ALA  26  -5.877   4.557  -0.551
  201   1HB   ALA  26           HB2      ALA  26  -7.609   2.911  -1.304
  202   2HB   ALA  26           HB1      ALA  26  -6.581   2.526  -2.678
  203   3HB   ALA  26           HB3      ALA  26  -6.027   2.187  -1.041
  204    H    GLU  27           HN       GLU  27  -5.377   4.401  -4.035
  205    HA   GLU  27           HA       GLU  27  -2.743   3.361  -4.050
  206   1HB   GLU  27           HB2      GLU  27  -4.260   5.179  -5.907
  207   2HB   GLU  27           HB1      GLU  27  -2.585   4.761  -6.229
  208   1HG   GLU  27           HG2      GLU  27  -3.188   2.343  -6.110
  209   2HG   GLU  27           HG1      GLU  27  -4.872   2.797  -5.864
  210    H    LYS  28           HN       LYS  28  -3.809   6.760  -4.050
  211    HA   LYS  28           HA       LYS  28  -1.094   7.763  -3.823
  212   1HB   LYS  28           HB2      LYS  28  -2.137   9.951  -3.557
  213   2HB   LYS  28           HB1      LYS  28  -2.935   9.069  -4.853
  214   1HG   LYS  28           HG2      LYS  28  -4.647   8.302  -3.138
  215   2HG   LYS  28           HG1      LYS  28  -3.918   9.439  -2.009
  216   1HD   LYS  28           HD2      LYS  28  -4.264  10.949  -4.328
  217   2HD   LYS  28           HD1      LYS  28  -5.717   9.960  -4.260
  218   1HE   LYS  28           HE2      LYS  28  -4.656  11.843  -2.139
  219   2HE   LYS  28           HE1      LYS  28  -6.197  11.931  -2.981
  220   1HZ   LYS  28           HZ2      LYS  28  -6.233   9.468  -1.852
  221   2HZ   LYS  28           HZ1      LYS  28  -5.465  10.414  -0.668
  222   3HZ   LYS  28           HZ3      LYS  28  -7.004  10.851  -1.239
  223    H    VAL  29           HN       VAL  29  -3.675   7.064  -1.530
  224    HA   VAL  29           HA       VAL  29  -2.541   8.388   0.730
  225    HB   VAL  29           HB       VAL  29  -4.361   5.999   0.472
  226   1HG1  VAL  29          HG11      VAL  29  -3.146   7.266   2.929
  227   2HG1  VAL  29          HG13      VAL  29  -4.715   6.472   3.002
  228   3HG1  VAL  29          HG12      VAL  29  -3.285   5.556   2.538
  229   1HG2  VAL  29          HG21      VAL  29  -4.909   8.586   0.058
  230   2HG2  VAL  29          HG23      VAL  29  -6.066   7.524   0.854
  231   3HG2  VAL  29          HG22      VAL  29  -5.041   8.584   1.814
  232    H    PHE  30           HN       PHE  30  -2.451   4.893   0.001
  233    HA   PHE  30           HA       PHE  30  -0.486   4.246   1.939
  234   1HB   PHE  30           HB2      PHE  30  -1.412   2.970  -0.608
  235   2HB   PHE  30           HB1      PHE  30   0.058   2.361   0.145
  236    HD1  PHE  30           HD1      PHE  30  -0.234   2.148   2.880
  237    HD2  PHE  30           HD2      PHE  30  -3.364   1.842   0.003
  238    HE1  PHE  30           HE1      PHE  30  -1.601   0.886   4.485
  239    HE2  PHE  30           HE2      PHE  30  -4.703   0.568   1.611
  240    HZ   PHE  30           HZ       PHE  30  -3.819   0.054   3.839
  241    H    LYS  31           HN       LYS  31  -0.170   5.462  -1.343
  242    HA   LYS  31           HA       LYS  31   2.654   5.066  -1.607
  243   1HB   LYS  31           HB2      LYS  31   1.124   5.644  -3.491
  244   2HB   LYS  31           HB1      LYS  31   0.972   7.269  -2.827
  245   1HG   LYS  31           HG2      LYS  31   3.355   7.665  -3.102
  246   2HG   LYS  31           HG1      LYS  31   3.622   5.991  -3.576
  247   1HD   LYS  31           HD2      LYS  31   1.553   7.231  -5.211
  248   2HD   LYS  31           HD1      LYS  31   3.059   8.139  -5.294
  249   1HE   LYS  31           HE2      LYS  31   3.014   6.364  -7.012
  250   2HE   LYS  31           HE1      LYS  31   4.285   6.059  -5.835
  251   1HZ   LYS  31           HZ3      LYS  31   2.057   4.836  -4.813
  252   2HZ   LYS  31           HZ2      LYS  31   2.008   4.486  -6.474
  253   3HZ   LYS  31           HZ1      LYS  31   3.379   4.077  -5.559
  254    H    GLN  32           HN       GLN  32   0.738   7.758  -0.351
  255    HA   GLN  32           HA       GLN  32   2.860   9.576   0.121
  256   1HB   GLN  32           HB2      GLN  32   0.483  10.187   0.361
  257   2HB   GLN  32           HB1      GLN  32   0.353   9.140   1.770
  258   1HG   GLN  32           HG2      GLN  32   1.930  10.496   3.011
  259   2HG   GLN  32           HG1      GLN  32   2.321  11.442   1.578
  260   1HE2  GLN  32          HE22      GLN  32  -0.060  13.663   3.113
  261   2HE2  GLN  32          HE21      GLN  32   1.597  13.295   3.065
  262    OH   TYR  33           OH       TYR  33   5.036   2.947   8.386
  263    H    TYR  33           HN       TYR  33   1.859   6.712   1.821
  264    HA   TYR  33           HA       TYR  33   3.424   7.236   4.213
  265   1HB   TYR  33           HB2      TYR  33   1.469   5.706   4.226
  266   2HB   TYR  33           HB1      TYR  33   2.336   4.618   3.149
  267    HD1  TYR  33           HD1      TYR  33   4.497   3.573   3.938
  268    HD2  TYR  33           HD2      TYR  33   1.931   5.702   6.578
  269    HE1  TYR  33           HE1      TYR  33   5.613   2.539   5.854
  270    HE2  TYR  33           HE2      TYR  33   3.048   4.664   8.499
  271    HH   TYR  33           HH       TYR  33   5.976   3.125   8.314
  272    H    ALA  34           HN       ALA  34   3.790   4.740   1.712
  273    HA   ALA  34           HA       ALA  34   6.393   3.925   2.327
  274   1HB   ALA  34           HB1      ALA  34   4.588   3.536   0.197
  275   2HB   ALA  34           HB3      ALA  34   6.088   4.084  -0.543
  276   3HB   ALA  34           HB2      ALA  34   6.086   2.658   0.489
  277    H    ASN  35           HN       ASN  35   5.317   6.831   0.748
  278    HA   ASN  35           HA       ASN  35   7.758   7.651  -0.465
  279   1HB   ASN  35           HB2      ASN  35   5.896   8.949  -1.060
  280   2HB   ASN  35           HB1      ASN  35   5.366   9.123   0.611
  281   1HD2  ASN  35          HD22      ASN  35   7.300  12.005   1.200
  282   2HD2  ASN  35          HD21      ASN  35   6.184  10.885   1.814
  283    H    ASP  36           HN       ASP  36   6.567   7.953   2.832
  284    HA   ASP  36           HA       ASP  36   8.810   9.596   3.708
  285   1HB   ASP  36           HB2      ASP  36   6.451   8.301   4.985
  286   2HB   ASP  36           HB1      ASP  36   7.826   8.665   6.024
  287    H    ASN  37           HN       ASN  37   9.079   6.772   2.482
  288    HA   ASN  37           HA       ASN  37  11.080   5.819   4.485
  289   1HB   ASN  37           HB2      ASN  37   8.819   4.299   3.246
  290   2HB   ASN  37           HB1      ASN  37  10.328   3.450   3.574
  291   1HD2  ASN  37          HD22      ASN  37   7.854   4.402   6.627
  292   2HD2  ASN  37          HD21      ASN  37   7.450   4.723   5.010
  293    H    GLY  38           HN       GLY  38  10.028   6.078   1.171
  294   1HA   GLY  38           HA2      GLY  38  11.657   6.465  -0.606
  295   2HA   GLY  38           HA1      GLY  38  12.824   5.514   0.304
  296    H    VAL  39           HN       VAL  39   9.822   4.060   0.445
  297    HA   VAL  39           HA       VAL  39  10.689   2.006  -1.496
  298    HB   VAL  39           HB       VAL  39   8.351   2.042   0.430
  299   1HG1  VAL  39          HG12      VAL  39   9.476  -0.036  -1.458
  300   2HG1  VAL  39          HG11      VAL  39   8.522  -0.491  -0.049
  301   3HG1  VAL  39          HG13      VAL  39   7.808   0.510  -1.311
  302   1HG2  VAL  39          HG21      VAL  39  10.804   2.024   1.305
  303   2HG2  VAL  39          HG23      VAL  39   9.710   0.777   1.900
  304   3HG2  VAL  39          HG22      VAL  39  10.876   0.397   0.635
  305    H    ASP  40           HN       ASP  40  10.292   3.080  -3.466
  306    HA   ASP  40           HA       ASP  40   7.416   3.127  -4.217
  307   1HB   ASP  40           HB2      ASP  40   9.305   5.443  -4.258
  308   2HB   ASP  40           HB1      ASP  40   8.140   5.300  -5.571
  309    H    GLY  41           HN       GLY  41   7.071   2.240  -6.169
  310   1HA   GLY  41           HA2      GLY  41   8.727   2.452  -8.449
  311   2HA   GLY  41           HA1      GLY  41   9.210   0.983  -7.606
  312    H    GLU  42           HN       GLU  42   7.653  -0.697  -7.332
  313    HA   GLU  42           HA       GLU  42   5.533  -0.646  -9.436
  314   1HB   GLU  42           HB2      GLU  42   6.799  -2.965  -7.973
  315   2HB   GLU  42           HB1      GLU  42   5.598  -3.108  -9.248
  316   1HG   GLU  42           HG2      GLU  42   8.060  -1.492  -9.816
  317   2HG   GLU  42           HG1      GLU  42   8.207  -3.247  -9.803
  318    CH2  TRP  43           CH2      TRP  43   2.187   2.510  -2.093
  319    H    TRP  43           HN       TRP  43   3.442  -0.700  -8.866
  320    HA   TRP  43           HA       TRP  43   2.792  -1.279  -5.997
  321   1HB   TRP  43           HB2      TRP  43   1.822   0.854  -7.868
  322   2HB   TRP  43           HB1      TRP  43   0.822   0.341  -6.520
  323    HD1  TRP  43           HD1      TRP  43   4.429   1.553  -7.210
  324    HE1  TRP  43           HE1      TRP  43   5.148   2.851  -5.145
  325    HE3  TRP  43           HE3      TRP  43   0.447   0.728  -4.344
  326    HZ2  TRP  43           HZ2      TRP  43   4.104   3.386  -2.419
  327    HZ3  TRP  43           HZ3      TRP  43   0.291   1.536  -2.043
  328    HH2  TRP  43           HH2      TRP  43   2.116   2.859  -1.074
  329    H    THR  44           HN       THR  44   1.258  -2.741  -5.610
  330    HA   THR  44           HA       THR  44  -0.365  -3.730  -7.928
  331    HB   THR  44           HB       THR  44  -0.302  -5.969  -6.559
  332    HG1  THR  44           HG1      THR  44   2.105  -4.858  -5.651
  333   1HG2  THR  44          HG21      THR  44   1.838  -4.711  -8.212
  334   2HG2  THR  44          HG23      THR  44   2.340  -6.089  -7.237
  335   3HG2  THR  44          HG22      THR  44   1.049  -6.271  -8.422
  336    OH   TYR  45           OH       TYR  45  -8.846  -1.160  -3.148
  337    H    TYR  45           HN       TYR  45  -2.374  -4.871  -7.231
  338    HA   TYR  45           HA       TYR  45  -3.533  -3.835  -4.688
  339   1HB   TYR  45           HB2      TYR  45  -4.021  -2.344  -6.751
  340   2HB   TYR  45           HB1      TYR  45  -5.044  -3.670  -7.307
  341    HD1  TYR  45           HD1      TYR  45  -6.595  -4.581  -5.033
  342    HD2  TYR  45           HD2      TYR  45  -5.276  -0.631  -5.859
  343    HE1  TYR  45           HE1      TYR  45  -8.351  -3.696  -3.597
  344    HE2  TYR  45           HE2      TYR  45  -7.080   0.254  -4.473
  345    HH   TYR  45           HH       TYR  45  -8.844  -0.204  -3.235
  346    H    ASP  46           HN       ASP  46  -4.592  -5.429  -3.660
  347    HA   ASP  46           HA       ASP  46  -5.386  -7.851  -5.237
  348   1HB   ASP  46           HB2      ASP  46  -3.621  -7.996  -3.346
  349   2HB   ASP  46           HB1      ASP  46  -4.987  -7.797  -2.258
  350    H    ASP  47           HN       ASP  47  -7.443  -6.927  -5.772
  351    HA   ASP  47           HA       ASP  47  -9.271  -6.062  -3.682
  352   1HB   ASP  47           HB2      ASP  47  -9.411  -5.269  -6.048
  353   2HB   ASP  47           HB1      ASP  47  -9.900  -6.893  -6.527
  354    H    ALA  48           HN       ALA  48  -8.058  -9.001  -4.241
  355    HA   ALA  48           HA       ALA  48 -10.502 -10.603  -4.177
  356   1HB   ALA  48           HB2      ALA  48  -8.379 -11.435  -5.182
  357   2HB   ALA  48           HB1      ALA  48  -7.649 -11.429  -3.581
  358   3HB   ALA  48           HB3      ALA  48  -8.995 -12.508  -3.930
  359    H    THR  49           HN       THR  49  -8.239  -9.296  -1.859
  360    HA   THR  49           HA       THR  49 -10.055 -10.193   0.325
  361    HB   THR  49           HB       THR  49  -7.936 -10.740   1.696
  362    HG1  THR  49           HG1      THR  49  -6.956  -9.696  -0.524
  363   1HG2  THR  49          HG23      THR  49  -8.388 -12.355  -0.847
  364   2HG2  THR  49          HG22      THR  49  -7.558 -12.930   0.596
  365   3HG2  THR  49          HG21      THR  49  -9.283 -12.583   0.652
  366    H    LYS  50           HN       LYS  50  -9.116  -7.647  -1.156
  367    HA   LYS  50           HA       LYS  50  -8.755  -5.408  -0.570
  368   1HB   LYS  50           HB2      LYS  50  -9.514  -6.206   2.240
  369   2HB   LYS  50           HB1      LYS  50  -9.753  -4.651   1.450
  370   1HG   LYS  50           HG2      LYS  50 -11.273  -5.831  -0.203
  371   2HG   LYS  50           HG1      LYS  50 -11.158  -7.264   0.814
  372   1HD   LYS  50           HD2      LYS  50 -11.739  -5.153   2.585
  373   2HD   LYS  50           HD1      LYS  50 -12.779  -4.881   1.191
  374   1HE   LYS  50           HE2      LYS  50 -13.581  -7.215   1.326
  375   2HE   LYS  50           HE1      LYS  50 -12.531  -7.499   2.709
  376   1HZ   LYS  50           HZ3      LYS  50 -14.373  -5.243   2.862
  377   2HZ   LYS  50           HZ2      LYS  50 -15.038  -6.801   2.978
  378   3HZ   LYS  50           HZ1      LYS  50 -13.847  -6.303   4.080
  379    H    THR  51           HN       THR  51  -6.462  -6.381  -0.865
  380    HA   THR  51           HA       THR  51  -4.875  -5.553   1.521
  381    HB   THR  51           HB       THR  51  -4.529  -8.168  -0.019
  382    HG1  THR  51           HG1      THR  51  -5.980  -8.443   1.554
  383   1HG2  THR  51          HG23      THR  51  -2.433  -6.710   1.111
  384   2HG2  THR  51          HG22      THR  51  -2.973  -7.720   2.440
  385   3HG2  THR  51          HG21      THR  51  -2.461  -8.454   0.930
  386    H    PHE  52           HN       PHE  52  -3.686  -3.864   0.783
  387    HA   PHE  52           HA       PHE  52  -2.999  -3.618  -2.041
  388   1HB   PHE  52           HB2      PHE  52  -3.006  -1.924   0.291
  389   2HB   PHE  52           HB1      PHE  52  -1.476  -1.791  -0.563
  390    HD1  PHE  52           HD1      PHE  52  -1.458  -1.116  -2.992
  391    HD2  PHE  52           HD2      PHE  52  -5.040  -1.178  -0.727
  392    HE1  PHE  52           HE1      PHE  52  -2.587   0.240  -4.713
  393    HE2  PHE  52           HE2      PHE  52  -6.122   0.264  -2.360
  394    HZ   PHE  52           HZ       PHE  52  -4.881   1.024  -4.335
  395    H    THR  53           HN       THR  53  -0.687  -3.305  -2.708
  396    HA   THR  53           HA       THR  53   1.365  -4.396  -0.935
  397    HB   THR  53           HB       THR  53   0.458  -5.979  -3.367
  398    HG1  THR  53           HG1      THR  53  -0.141  -7.381  -1.770
  399   1HG2  THR  53          HG21      THR  53   2.943  -6.021  -1.677
  400   2HG2  THR  53          HG23      THR  53   2.232  -7.566  -2.129
  401   3HG2  THR  53          HG22      THR  53   2.760  -6.444  -3.377
  402    H    VAL  54           HN       VAL  54   3.340  -3.653  -1.487
  403    HA   VAL  54           HA       VAL  54   3.724  -2.586  -4.252
  404    HB   VAL  54           HB       VAL  54   3.159  -0.736  -2.603
  405   1HG1  VAL  54          HG11      VAL  54   4.436  -1.923  -0.738
  406   2HG1  VAL  54          HG13      VAL  54   5.908  -1.319  -1.490
  407   3HG1  VAL  54          HG12      VAL  54   4.704  -0.192  -0.873
  408   1HG2  VAL  54          HG22      VAL  54   5.888  -0.801  -3.922
  409   2HG2  VAL  54          HG21      VAL  54   4.396  -0.159  -4.590
  410   3HG2  VAL  54          HG23      VAL  54   5.176   0.658  -3.245
  411    H    THR  55           HN       THR  55   5.895  -2.655  -4.957
  412    HA   THR  55           HA       THR  55   7.842  -3.984  -3.140
  413    HB   THR  55           HB       THR  55   7.343  -5.014  -5.959
  414    HG1  THR  55           HG1      THR  55   5.502  -5.381  -4.786
  415   1HG2  THR  55          HG23      THR  55   9.279  -5.597  -3.882
  416   2HG2  THR  55          HG22      THR  55   8.197  -6.975  -4.074
  417   3HG2  THR  55          HG21      THR  55   9.104  -6.370  -5.449
  418    H    GLU  56           HN       GLU  56   9.555  -2.650  -3.156
  419    HA   GLU  56           HA       GLU  56  10.101  -0.695  -5.150
  420   1HB   GLU  56           HB2      GLU  56  11.127  -1.282  -2.676
  421   2HB   GLU  56           HB1      GLU  56  12.462  -1.731  -3.727
  422   1HG   GLU  56           HG2      GLU  56  12.125   0.528  -4.887
  423   2HG   GLU  56           HG1      GLU  56  11.061   0.949  -3.549
   
  Start of MODEL          51
 Raw file had 423 H/Q atoms
  Entry Start of MODEL   51
    1   1H    MET   1           HT1      MET   1 -12.657   1.614   2.394
    2   2H    MET   1           HT3      MET   1 -14.117   0.819   2.043
    3   3H    MET   1           HT2      MET   1 -14.003   1.822   3.409
    4    HA   MET   1           HA       MET   1 -13.623  -0.045   4.538
    5   1HB   MET   1           HB2      MET   1 -12.569  -1.383   2.036
    6   2HB   MET   1           HB1      MET   1 -13.102  -2.163   3.521
    7   1HG   MET   1           HG2      MET   1 -14.728  -0.809   1.400
    8   2HG   MET   1           HG1      MET   1 -14.945  -2.392   2.100
    9   1HE   MET   1           HE2      MET   1 -17.249  -0.549   1.356
   10   2HE   MET   1           HE1      MET   1 -17.812   0.616   2.554
   11   3HE   MET   1           HE3      MET   1 -16.317   0.916   1.666
   12    H    THR   2           HN       THR   2 -11.676  -1.419   5.214
   13    HA   THR   2           HA       THR   2  -9.247   0.296   4.961
   14    HB   THR   2           HB       THR   2  -9.701  -1.885   7.028
   15    HG1  THR   2           HG1      THR   2 -10.984  -0.484   7.996
   16   1HG2  THR   2          HG21      THR   2  -7.515  -0.205   6.467
   17   2HG2  THR   2          HG23      THR   2  -8.368   0.609   7.773
   18   3HG2  THR   2          HG22      THR   2  -7.805  -1.043   7.988
   19    OH   TYR   3           OH       TYR   3 -11.705   0.349  -0.597
   20    H    TYR   3           HN       TYR   3  -7.854  -0.410   3.456
   21    HA   TYR   3           HA       TYR   3  -7.678  -3.332   2.917
   22   1HB   TYR   3           HB2      TYR   3  -6.134  -1.214   1.440
   23   2HB   TYR   3           HB1      TYR   3  -6.647  -2.790   0.871
   24    HD1  TYR   3           HD1      TYR   3  -7.948   0.543   1.922
   25    HD2  TYR   3           HD2      TYR   3  -8.745  -3.049  -0.204
   26    HE1  TYR   3           HE1      TYR   3 -10.014   1.522   1.035
   27    HE2  TYR   3           HE2      TYR   3 -10.804  -2.069  -1.098
   28    HH   TYR   3           HH       TYR   3 -11.531   1.272  -0.793
   29    H    LYS   4           HN       LYS   4  -5.631  -4.408   2.942
   30    HA   LYS   4           HA       LYS   4  -3.786  -3.234   4.971
   31   1HB   LYS   4           HB2      LYS   4  -4.963  -5.638   5.008
   32   2HB   LYS   4           HB1      LYS   4  -3.554  -6.065   4.052
   33   1HG   LYS   4           HG2      LYS   4  -2.288  -4.693   5.976
   34   2HG   LYS   4           HG1      LYS   4  -3.703  -5.183   6.902
   35   1HD   LYS   4           HD2      LYS   4  -3.298  -7.547   6.200
   36   2HD   LYS   4           HD1      LYS   4  -1.832  -7.023   5.378
   37   1HE   LYS   4           HE2      LYS   4  -0.845  -7.496   7.389
   38   2HE   LYS   4           HE1      LYS   4  -1.445  -5.902   7.832
   39   1HZ   LYS   4           HZ1      LYS   4  -3.583  -7.327   8.374
   40   2HZ   LYS   4           HZ3      LYS   4  -2.414  -8.536   8.609
   41   3HZ   LYS   4           HZ2      LYS   4  -2.337  -7.094   9.504
   42    H    LEU   5           HN       LEU   5  -1.895  -2.436   4.281
   43    HA   LEU   5           HA       LEU   5  -1.001  -3.034   1.539
   44   1HB   LEU   5           HB2      LEU   5  -0.839  -0.721   2.170
   45   2HB   LEU   5           HB1      LEU   5  -0.061  -1.113   3.694
   46    HG   LEU   5           HG       LEU   5   1.947  -1.959   2.348
   47   1HD1  LEU   5          HD12      LEU   5   0.442  -0.609   0.084
   48   2HD1  LEU   5          HD11      LEU   5   2.088  -1.222  -0.005
   49   3HD1  LEU   5          HD13      LEU   5   0.746  -2.338   0.204
   50   1HD2  LEU   5          HD23      LEU   5   1.716   0.364   3.351
   51   2HD2  LEU   5          HD22      LEU   5   2.837   0.230   2.002
   52   3HD2  LEU   5          HD21      LEU   5   1.237   0.910   1.751
   53    H    ILE   6           HN       ILE   6   1.055  -3.901   1.059
   54    HA   ILE   6           HA       ILE   6   2.468  -5.260   3.270
   55    HB   ILE   6           HB       ILE   6   1.589  -6.385   0.623
   56   1HG1  ILE   6          HG12      ILE   6   1.511  -7.476   3.461
   57   2HG1  ILE   6          HG11      ILE   6   0.173  -6.628   2.702
   58   1HG2  ILE   6          HG22      ILE   6   3.934  -7.154   2.362
   59   2HG2  ILE   6          HG21      ILE   6   3.104  -8.377   1.408
   60   3HG2  ILE   6          HG23      ILE   6   3.868  -7.012   0.609
   61   1HD1  ILE   6           HD1      ILE   6   0.837  -8.564   0.814
   62   2HD1  ILE   6           HD3      ILE   6   1.057  -9.404   2.343
   63   3HD1  ILE   6           HD2      ILE   6  -0.494  -8.669   1.958
   64    H    LEU   7           HN       LEU   7   4.243  -3.988   3.383
   65    HA   LEU   7           HA       LEU   7   5.513  -2.919   0.984
   66   1HB   LEU   7           HB2      LEU   7   6.318  -2.890   3.892
   67   2HB   LEU   7           HB1      LEU   7   7.225  -2.081   2.621
   68    HG   LEU   7           HG       LEU   7   4.354  -1.482   2.525
   69   1HD1  LEU   7          HD12      LEU   7   5.986  -0.683   4.960
   70   2HD1  LEU   7          HD11      LEU   7   4.420   0.000   4.536
   71   3HD1  LEU   7          HD13      LEU   7   4.551  -1.703   4.965
   72   1HD2  LEU   7          HD22      LEU   7   6.218  -0.308   1.295
   73   2HD2  LEU   7          HD21      LEU   7   5.211   0.781   2.244
   74   3HD2  LEU   7          HD23      LEU   7   6.795   0.298   2.845
   75    H    ASN   8           HN       ASN   8   6.706  -4.160  -0.303
   76    HA   ASN   8           HA       ASN   8   8.306  -6.355   0.924
   77   1HB   ASN   8           HB2      ASN   8   6.770  -6.067  -1.523
   78   2HB   ASN   8           HB1      ASN   8   8.408  -6.571  -1.876
   79   1HD2  ASN   8          HD22      ASN   8   5.930  -9.341  -0.755
   80   2HD2  ASN   8          HD21      ASN   8   5.565  -7.922  -1.600
   81    H    GLY   9           HN       GLY   9   9.169  -3.705   1.226
   82   1HA   GLY   9           HA2      GLY   9  10.954  -2.753  -0.748
   83   2HA   GLY   9           HA1      GLY   9  11.123  -2.423   0.966
   84    H    LYS  10           HN       LYS  10  13.072  -3.119  -1.206
   85    HA   LYS  10           HA       LYS  10  14.097  -5.762  -0.659
   86   1HB   LYS  10           HB2      LYS  10  14.811  -4.879  -2.710
   87   2HB   LYS  10           HB1      LYS  10  15.182  -3.307  -2.013
   88   1HG   LYS  10           HG2      LYS  10  17.179  -4.078  -1.023
   89   2HG   LYS  10           HG1      LYS  10  16.680  -5.763  -1.108
   90   1HD   LYS  10           HD2      LYS  10  16.834  -5.671  -3.587
   91   2HD   LYS  10           HD1      LYS  10  17.367  -3.996  -3.483
   92   1HE   LYS  10           HE2      LYS  10  19.106  -5.199  -1.747
   93   2HE   LYS  10           HE1      LYS  10  18.860  -6.491  -2.915
   94   1HZ   LYS  10           HZ1      LYS  10  19.333  -4.796  -4.671
   95   2HZ   LYS  10           HZ3      LYS  10  19.831  -3.745  -3.433
   96   3HZ   LYS  10           HZ2      LYS  10  20.653  -5.209  -3.685
   97    H    THR  11           HN       THR  11  14.500  -2.632   0.778
   98    HA   THR  11           HA       THR  11  16.530  -3.755   2.661
   99    HB   THR  11           HB       THR  11  16.795  -1.109   3.060
  100    HG1  THR  11           HG1      THR  11  14.997  -0.848   1.559
  101   1HG2  THR  11          HG22      THR  11  18.549  -2.678   2.066
  102   2HG2  THR  11          HG21      THR  11  17.798  -2.400   0.498
  103   3HG2  THR  11          HG23      THR  11  18.546  -1.062   1.365
  104    H    LEU  12           HN       LEU  12  13.304  -3.122   2.436
  105    HA   LEU  12           HA       LEU  12  13.028  -3.107   5.355
  106   1HB   LEU  12           HB2      LEU  12  13.428  -0.672   4.637
  107   2HB   LEU  12           HB1      LEU  12  11.826  -0.750   3.910
  108    HG   LEU  12           HG       LEU  12  11.265  -1.800   6.346
  109   1HD1  LEU  12          HD11      LEU  12  13.772  -1.310   6.892
  110   2HD1  LEU  12          HD13      LEU  12  13.258   0.371   7.000
  111   3HD1  LEU  12          HD12      LEU  12  12.555  -0.835   8.074
  112   1HD2  LEU  12          HD23      LEU  12  11.453   1.146   5.629
  113   2HD2  LEU  12          HD22      LEU  12  10.090   0.083   5.295
  114   3HD2  LEU  12          HD21      LEU  12  10.497   0.497   6.957
  115    H    LYS  13           HN       LYS  13  11.444  -4.508   5.695
  116    HA   LYS  13           HA       LYS  13   9.138  -4.570   3.787
  117   1HB   LYS  13           HB2      LYS  13   9.832  -6.802   5.680
  118   2HB   LYS  13           HB1      LYS  13   8.909  -6.877   4.186
  119   1HG   LYS  13           HG2      LYS  13  10.906  -7.657   3.349
  120   2HG   LYS  13           HG1      LYS  13  11.239  -5.938   3.194
  121   1HD   LYS  13           HD2      LYS  13  13.132  -6.630   4.360
  122   2HD   LYS  13           HD1      LYS  13  12.078  -6.200   5.701
  123   1HE   LYS  13           HE2      LYS  13  11.297  -8.626   5.716
  124   2HE   LYS  13           HE1      LYS  13  12.590  -8.969   4.576
  125   1HZ   LYS  13           HZ1      LYS  13  13.872  -7.604   6.503
  126   2HZ   LYS  13           HZ3      LYS  13  12.719  -8.465   7.404
  127   3HZ   LYS  13           HZ2      LYS  13  13.802  -9.297   6.395
  128    H    GLY  14           HN       GLY  14   7.076  -4.379   4.591
  129   1HA   GLY  14           HA2      GLY  14   6.583  -4.531   7.476
  130   2HA   GLY  14           HA1      GLY  14   6.474  -2.902   6.820
  131    H    GLU  15           HN       GLU  15   4.232  -3.054   7.559
  132    HA   GLU  15           HA       GLU  15   2.418  -3.617   5.417
  133   1HB   GLU  15           HB2      GLU  15   1.157  -5.480   6.449
  134   2HB   GLU  15           HB1      GLU  15   2.807  -5.962   6.075
  135   1HG   GLU  15           HG2      GLU  15   3.085  -4.935   8.620
  136   2HG   GLU  15           HG1      GLU  15   1.488  -5.675   8.698
  137    H    THR  16           HN       THR  16   0.789  -2.208   5.712
  138    HA   THR  16           HA       THR  16  -0.208  -1.704   8.458
  139    HB   THR  16           HB       THR  16   1.402   0.073   8.356
  140    HG1  THR  16           HG1      THR  16  -0.108   1.868   7.895
  141   1HG2  THR  16          HG22      THR  16   0.468   0.283   5.490
  142   2HG2  THR  16          HG21      THR  16   1.174   1.678   6.295
  143   3HG2  THR  16          HG23      THR  16   2.120   0.208   6.089
  144    H    THR  17           HN       THR  17  -2.300  -0.796   8.526
  145    HA   THR  17           HA       THR  17  -3.797  -1.106   5.961
  146    HB   THR  17           HB       THR  17  -5.689  -1.736   7.262
  147    HG1  THR  17           HG1      THR  17  -4.302  -0.106   9.083
  148   1HG2  THR  17          HG21      THR  17  -3.343  -3.074   7.819
  149   2HG2  THR  17          HG23      THR  17  -3.814  -2.520   9.422
  150   3HG2  THR  17          HG22      THR  17  -4.908  -3.531   8.483
  151    H    THR  18           HN       THR  18  -5.061   0.524   5.161
  152    HA   THR  18           HA       THR  18  -5.138   3.090   6.704
  153    HB   THR  18           HB       THR  18  -3.452   2.969   4.680
  154    HG1  THR  18           HG1      THR  18  -4.611   4.781   5.910
  155   1HG2  THR  18          HG23      THR  18  -5.496   2.088   3.208
  156   2HG2  THR  18          HG22      THR  18  -5.919   3.797   3.167
  157   3HG2  THR  18          HG21      THR  18  -4.368   3.258   2.531
  158    H    GLU  19           HN       GLU  19  -6.920   4.477   6.195
  159    HA   GLU  19           HA       GLU  19  -9.306   2.944   5.304
  160   1HB   GLU  19           HB2      GLU  19  -8.909   5.436   6.945
  161   2HB   GLU  19           HB1      GLU  19 -10.482   5.056   6.254
  162   1HG   GLU  19           HG2      GLU  19  -9.125   2.812   7.640
  163   2HG   GLU  19           HG1      GLU  19  -9.653   4.133   8.677
  164    H    ALA  20           HN       ALA  20 -10.116   3.270   3.335
  165    HA   ALA  20           HA       ALA  20  -9.820   5.950   2.072
  166   1HB   ALA  20           HB2      ALA  20  -8.635   3.405   1.150
  167   2HB   ALA  20           HB1      ALA  20  -9.473   4.331  -0.091
  168   3HB   ALA  20           HB3      ALA  20  -8.145   5.059   0.808
  169    H    VAL  21           HN       VAL  21 -11.498   6.502   0.683
  170    HA   VAL  21           HA       VAL  21 -13.947   4.922   1.023
  171    HB   VAL  21           HB       VAL  21 -14.150   7.329   1.158
  172   1HG1  VAL  21          HG13      VAL  21 -12.933   7.304  -1.625
  173   2HG1  VAL  21          HG12      VAL  21 -13.614   8.729  -0.849
  174   3HG1  VAL  21          HG11      VAL  21 -12.188   7.953  -0.166
  175   1HG2  VAL  21          HG23      VAL  21 -15.846   5.814  -0.200
  176   2HG2  VAL  21          HG22      VAL  21 -16.025   7.565  -0.216
  177   3HG2  VAL  21          HG21      VAL  21 -15.259   6.746  -1.573
  178    H    ASP  22           HN       ASP  22 -11.403   4.906  -1.154
  179    HA   ASP  22           HA       ASP  22 -12.828   3.083  -2.927
  180   1HB   ASP  22           HB2      ASP  22 -13.026   4.367  -4.839
  181   2HB   ASP  22           HB1      ASP  22 -13.280   5.613  -3.621
  182    H    ALA  23           HN       ALA  23 -11.219   2.926  -5.056
  183    HA   ALA  23           HA       ALA  23  -8.730   1.915  -3.879
  184   1HB   ALA  23           HB2      ALA  23 -10.236   1.544  -6.354
  185   2HB   ALA  23           HB1      ALA  23  -8.502   1.669  -6.636
  186   3HB   ALA  23           HB3      ALA  23  -9.130   0.440  -5.543
  187    H    ALA  24           HN       ALA  24  -9.541   4.237  -6.450
  188    HA   ALA  24           HA       ALA  24  -6.983   5.155  -7.074
  189   1HB   ALA  24           HB2      ALA  24  -9.533   6.771  -6.825
  190   2HB   ALA  24           HB1      ALA  24  -8.070   7.335  -7.628
  191   3HB   ALA  24           HB3      ALA  24  -8.948   5.951  -8.270
  192    H    THR  25           HN       THR  25  -9.092   6.340  -4.468
  193    HA   THR  25           HA       THR  25  -7.128   8.209  -3.476
  194    HB   THR  25           HB       THR  25  -9.632   8.342  -2.989
  195    HG1  THR  25           HG1      THR  25  -7.545   8.335  -1.085
  196   1HG2  THR  25          HG23      THR  25  -9.397   5.756  -2.120
  197   2HG2  THR  25          HG22      THR  25  -9.154   6.625  -0.611
  198   3HG2  THR  25          HG21      THR  25 -10.635   6.854  -1.531
  199    H    ALA  26           HN       ALA  26  -7.792   4.830  -2.899
  200    HA   ALA  26           HA       ALA  26  -6.190   4.615  -0.500
  201   1HB   ALA  26           HB1      ALA  26  -7.904   2.935  -1.146
  202   2HB   ALA  26           HB3      ALA  26  -6.899   2.466  -2.514
  203   3HB   ALA  26           HB2      ALA  26  -6.328   2.198  -0.870
  204    H    GLU  27           HN       GLU  27  -5.529   4.457  -3.929
  205    HA   GLU  27           HA       GLU  27  -2.919   3.302  -3.784
  206   1HB   GLU  27           HB2      GLU  27  -4.249   5.108  -5.807
  207   2HB   GLU  27           HB1      GLU  27  -2.637   4.447  -6.037
  208   1HG   GLU  27           HG2      GLU  27  -3.587   2.147  -5.715
  209   2HG   GLU  27           HG1      GLU  27  -5.195   2.864  -5.641
  210    H    LYS  28           HN       LYS  28  -3.917   6.723  -4.092
  211    HA   LYS  28           HA       LYS  28  -1.219   7.701  -3.789
  212   1HB   LYS  28           HB2      LYS  28  -2.327   9.930  -3.461
  213   2HB   LYS  28           HB1      LYS  28  -2.826   9.094  -4.924
  214   1HG   LYS  28           HG2      LYS  28  -4.965   8.800  -4.177
  215   2HG   LYS  28           HG1      LYS  28  -4.451   8.473  -2.529
  216   1HD   LYS  28           HD2      LYS  28  -4.241  10.783  -2.011
  217   2HD   LYS  28           HD1      LYS  28  -4.251  11.247  -3.708
  218   1HE   LYS  28           HE2      LYS  28  -6.608  10.458  -3.885
  219   2HE   LYS  28           HE1      LYS  28  -6.589  10.072  -2.168
  220   1HZ   LYS  28           HZ2      LYS  28  -5.702  12.731  -2.668
  221   2HZ   LYS  28           HZ1      LYS  28  -7.263  12.466  -3.283
  222   3HZ   LYS  28           HZ3      LYS  28  -6.935  12.176  -1.642
  223    H    VAL  29           HN       VAL  29  -3.687   6.783  -1.550
  224    HA   VAL  29           HA       VAL  29  -2.719   8.282   0.718
  225    HB   VAL  29           HB       VAL  29  -4.416   5.805   0.437
  226   1HG1  VAL  29          HG12      VAL  29  -3.289   7.116   2.912
  227   2HG1  VAL  29          HG11      VAL  29  -4.838   6.277   2.965
  228   3HG1  VAL  29          HG13      VAL  29  -3.376   5.400   2.522
  229   1HG2  VAL  29          HG23      VAL  29  -5.053   8.393   0.041
  230   2HG2  VAL  29          HG22      VAL  29  -6.194   7.250   0.744
  231   3HG2  VAL  29          HG21      VAL  29  -5.270   8.327   1.787
  232    H    PHE  30           HN       PHE  30  -2.419   4.796  -0.005
  233    HA   PHE  30           HA       PHE  30  -0.456   4.290   1.991
  234   1HB   PHE  30           HB2      PHE  30  -1.270   2.907  -0.544
  235   2HB   PHE  30           HB1      PHE  30   0.189   2.379   0.279
  236    HD1  PHE  30           HD1      PHE  30  -0.206   2.240   3.018
  237    HD2  PHE  30           HD2      PHE  30  -3.199   1.721   0.025
  238    HE1  PHE  30           HE1      PHE  30  -1.590   0.973   4.608
  239    HE2  PHE  30           HE2      PHE  30  -4.552   0.447   1.618
  240    HZ   PHE  30           HZ       PHE  30  -3.745   0.034   3.896
  241    H    LYS  31           HN       LYS  31  -0.155   5.355  -1.361
  242    HA   LYS  31           HA       LYS  31   2.667   5.122  -1.607
  243   1HB   LYS  31           HB2      LYS  31   1.216   5.634  -3.520
  244   2HB   LYS  31           HB1      LYS  31   0.824   7.198  -2.806
  245   1HG   LYS  31           HG2      LYS  31   2.813   8.122  -3.429
  246   2HG   LYS  31           HG1      LYS  31   3.719   6.668  -3.024
  247   1HD   LYS  31           HD2      LYS  31   3.767   7.109  -5.465
  248   2HD   LYS  31           HD1      LYS  31   2.946   5.594  -5.107
  249   1HE   LYS  31           HE2      LYS  31   0.990   6.355  -5.955
  250   2HE   LYS  31           HE1      LYS  31   1.103   7.855  -5.042
  251   1HZ   LYS  31           HZ2      LYS  31   2.893   8.419  -6.813
  252   2HZ   LYS  31           HZ1      LYS  31   2.085   7.244  -7.736
  253   3HZ   LYS  31           HZ3      LYS  31   1.243   8.608  -7.173
  254    H    GLN  32           HN       GLN  32   0.652   7.501  -0.038
  255    HA   GLN  32           HA       GLN  32   2.720   9.468   0.381
  256   1HB   GLN  32           HB2      GLN  32   0.250   9.903   0.588
  257   2HB   GLN  32           HB1      GLN  32   0.256   8.967   2.078
  258   1HG   GLN  32           HG2      GLN  32   2.398  10.775   2.351
  259   2HG   GLN  32           HG1      GLN  32   1.090  11.720   1.645
  260   1HE2  GLN  32          HE22      GLN  32   0.877  10.609   5.513
  261   2HE2  GLN  32          HE21      GLN  32   2.258  10.340   4.564
  262    OH   TYR  33           OH       TYR  33   5.214   2.182   7.963
  263    H    TYR  33           HN       TYR  33   1.696   6.576   2.036
  264    HA   TYR  33           HA       TYR  33   3.251   7.048   4.443
  265   1HB   TYR  33           HB2      TYR  33   1.365   5.517   4.541
  266   2HB   TYR  33           HB1      TYR  33   2.058   4.526   3.265
  267    HD1  TYR  33           HD1      TYR  33   4.213   3.296   3.692
  268    HD2  TYR  33           HD2      TYR  33   2.099   5.261   6.815
  269    HE1  TYR  33           HE1      TYR  33   5.475   2.013   5.352
  270    HE2  TYR  33           HE2      TYR  33   3.361   3.975   8.478
  271    HH   TYR  33           HH       TYR  33   5.837   1.622   7.494
  272    H    ALA  34           HN       ALA  34   3.678   4.893   1.653
  273    HA   ALA  34           HA       ALA  34   6.251   3.928   2.309
  274   1HB   ALA  34           HB1      ALA  34   4.707   4.267  -0.221
  275   2HB   ALA  34           HB3      ALA  34   6.430   3.937  -0.358
  276   3HB   ALA  34           HB2      ALA  34   5.383   2.805   0.490
  277    H    ASN  35           HN       ASN  35   5.229   6.988   1.024
  278    HA   ASN  35           HA       ASN  35   7.700   7.913  -0.046
  279   1HB   ASN  35           HB2      ASN  35   5.499   9.060  -0.331
  280   2HB   ASN  35           HB1      ASN  35   5.577   9.561   1.356
  281   1HD2  ASN  35          HD22      ASN  35   7.784  11.509  -1.446
  282   2HD2  ASN  35          HD21      ASN  35   6.829  10.168  -1.858
  283    H    ASP  36           HN       ASP  36   6.475   7.782   3.240
  284    HA   ASP  36           HA       ASP  36   8.521   9.439   4.411
  285   1HB   ASP  36           HB2      ASP  36   6.390   7.645   5.373
  286   2HB   ASP  36           HB1      ASP  36   7.789   7.753   6.437
  287    H    ASN  37           HN       ASN  37   8.956   6.755   2.715
  288    HA   ASN  37           HA       ASN  37  11.388   5.996   4.267
  289   1HB   ASN  37           HB2      ASN  37   9.438   4.047   3.006
  290   2HB   ASN  37           HB1      ASN  37  10.967   3.612   3.767
  291   1HD2  ASN  37          HD22      ASN  37   7.847   4.867   6.136
  292   2HD2  ASN  37          HD21      ASN  37   7.878   5.308   4.498
  293    H    GLY  38           HN       GLY  38   9.698   6.197   1.213
  294   1HA   GLY  38           HA2      GLY  38  10.849   6.890  -0.812
  295   2HA   GLY  38           HA1      GLY  38  12.336   6.202  -0.167
  296    H    VAL  39           HN       VAL  39   9.343   4.452   0.058
  297    HA   VAL  39           HA       VAL  39  10.472   2.398  -1.764
  298    HB   VAL  39           HB       VAL  39   8.063   2.263   0.069
  299   1HG1  VAL  39          HG13      VAL  39   9.563   0.186  -1.558
  300   2HG1  VAL  39          HG12      VAL  39   8.407  -0.220  -0.293
  301   3HG1  VAL  39          HG11      VAL  39   7.872   0.647  -1.729
  302   1HG2  VAL  39          HG22      VAL  39  10.206   2.558   1.284
  303   2HG2  VAL  39          HG21      VAL  39   9.562   0.937   1.522
  304   3HG2  VAL  39          HG23      VAL  39  10.892   1.201   0.397
  305    H    ASP  40           HN       ASP  40  10.037   3.543  -3.730
  306    HA   ASP  40           HA       ASP  40   7.177   3.319  -4.564
  307   1HB   ASP  40           HB2      ASP  40   8.914   5.722  -4.570
  308   2HB   ASP  40           HB1      ASP  40   7.957   5.457  -6.026
  309    H    GLY  41           HN       GLY  41   7.112   1.895  -6.168
  310   1HA   GLY  41           HA2      GLY  41   8.746   2.211  -8.541
  311   2HA   GLY  41           HA1      GLY  41   9.247   0.813  -7.592
  312    H    GLU  42           HN       GLU  42   7.652  -0.845  -7.168
  313    HA   GLU  42           HA       GLU  42   5.613  -1.010  -9.352
  314   1HB   GLU  42           HB2      GLU  42   6.936  -3.195  -7.740
  315   2HB   GLU  42           HB1      GLU  42   5.758  -3.456  -9.019
  316   1HG   GLU  42           HG2      GLU  42   7.237  -2.744 -10.702
  317   2HG   GLU  42           HG1      GLU  42   8.238  -1.835  -9.573
  318    CH2  TRP  43           CH2      TRP  43   2.215   2.514  -2.150
  319    H    TRP  43           HN       TRP  43   3.552  -0.867  -8.770
  320    HA   TRP  43           HA       TRP  43   2.837  -1.441  -5.916
  321   1HB   TRP  43           HB2      TRP  43   1.898   0.645  -7.854
  322   2HB   TRP  43           HB1      TRP  43   0.889   0.172  -6.497
  323    HD1  TRP  43           HD1      TRP  43   4.524   1.307  -7.184
  324    HE1  TRP  43           HE1      TRP  43   5.232   2.677  -5.162
  325    HE3  TRP  43           HE3      TRP  43   0.479   0.674  -4.355
  326    HZ2  TRP  43           HZ2      TRP  43   4.152   3.345  -2.479
  327    HZ3  TRP  43           HZ3      TRP  43   0.301   1.578  -2.093
  328    HH2  TRP  43           HH2      TRP  43   2.135   2.903  -1.146
  329    H    THR  44           HN       THR  44   1.230  -2.825  -5.509
  330    HA   THR  44           HA       THR  44  -0.400  -3.815  -7.814
  331    HB   THR  44           HB       THR  44  -0.207  -6.129  -6.734
  332    HG1  THR  44           HG1      THR  44   0.476  -5.031  -4.724
  333   1HG2  THR  44          HG22      THR  44   1.665  -4.779  -8.376
  334   2HG2  THR  44          HG21      THR  44   2.620  -5.519  -7.096
  335   3HG2  THR  44          HG23      THR  44   1.581  -6.517  -8.108
  336    OH   TYR  45           OH       TYR  45  -8.857  -1.280  -2.900
  337    H    TYR  45           HN       TYR  45  -2.468  -4.554  -7.320
  338    HA   TYR  45           HA       TYR  45  -3.514  -3.805  -4.605
  339   1HB   TYR  45           HB2      TYR  45  -4.098  -2.303  -6.640
  340   2HB   TYR  45           HB1      TYR  45  -5.103  -3.648  -7.180
  341    HD1  TYR  45           HD1      TYR  45  -6.554  -4.621  -4.865
  342    HD2  TYR  45           HD2      TYR  45  -5.379  -0.628  -5.705
  343    HE1  TYR  45           HE1      TYR  45  -8.305  -3.798  -3.385
  344    HE2  TYR  45           HE2      TYR  45  -7.175   0.196  -4.269
  345    HH   TYR  45           HH       TYR  45  -9.603  -1.035  -3.451
  346    H    ASP  46           HN       ASP  46  -4.478  -5.460  -3.567
  347    HA   ASP  46           HA       ASP  46  -5.131  -7.919  -5.128
  348   1HB   ASP  46           HB2      ASP  46  -3.572  -7.895  -3.041
  349   2HB   ASP  46           HB1      ASP  46  -5.068  -7.766  -2.123
  350    H    ASP  47           HN       ASP  47  -7.094  -6.651  -5.847
  351    HA   ASP  47           HA       ASP  47  -9.175  -5.978  -3.992
  352   1HB   ASP  47           HB2      ASP  47  -9.109  -5.120  -6.307
  353   2HB   ASP  47           HB1      ASP  47  -9.403  -6.748  -6.915
  354    H    ALA  48           HN       ALA  48  -7.880  -8.905  -4.454
  355    HA   ALA  48           HA       ALA  48 -10.385 -10.457  -4.545
  356   1HB   ALA  48           HB1      ALA  48  -8.108 -11.126  -5.600
  357   2HB   ALA  48           HB3      ALA  48  -7.660 -11.598  -3.964
  358   3HB   ALA  48           HB2      ALA  48  -9.029 -12.369  -4.760
  359    H    THR  49           HN       THR  49  -8.387  -9.007  -2.200
  360    HA   THR  49           HA       THR  49  -9.998 -10.249  -0.061
  361    HB   THR  49           HB       THR  49  -7.729 -10.702   1.211
  362    HG1  THR  49           HG1      THR  49  -6.332  -9.819  -0.232
  363   1HG2  THR  49          HG21      THR  49  -9.319 -12.483   0.189
  364   2HG2  THR  49          HG23      THR  49  -8.260 -12.440  -1.218
  365   3HG2  THR  49          HG22      THR  49  -7.626 -12.944   0.346
  366    H    LYS  50           HN       LYS  50  -9.159  -7.544  -1.351
  367    HA   LYS  50           HA       LYS  50  -8.857  -5.347  -0.584
  368   1HB   LYS  50           HB2      LYS  50  -9.731  -6.451   2.093
  369   2HB   LYS  50           HB1      LYS  50  -9.890  -4.796   1.517
  370   1HG   LYS  50           HG2      LYS  50 -11.300  -5.780  -0.405
  371   2HG   LYS  50           HG1      LYS  50 -11.366  -7.256   0.553
  372   1HD   LYS  50           HD2      LYS  50 -12.299  -5.961   2.458
  373   2HD   LYS  50           HD1      LYS  50 -12.264  -4.503   1.474
  374   1HE   LYS  50           HE2      LYS  50 -14.419  -5.139   0.991
  375   2HE   LYS  50           HE1      LYS  50 -13.609  -6.137  -0.211
  376   1HZ   LYS  50           HZ2      LYS  50 -13.764  -7.344   2.396
  377   2HZ   LYS  50           HZ1      LYS  50 -15.279  -7.051   1.686
  378   3HZ   LYS  50           HZ3      LYS  50 -14.127  -7.994   0.870
  379    H    THR  51           HN       THR  51  -6.528  -6.247  -0.871
  380    HA   THR  51           HA       THR  51  -5.029  -5.462   1.578
  381    HB   THR  51           HB       THR  51  -4.845  -8.151   0.175
  382    HG1  THR  51           HG1      THR  51  -6.039  -7.424   2.195
  383   1HG2  THR  51          HG22      THR  51  -2.769  -6.874   2.000
  384   2HG2  THR  51          HG21      THR  51  -2.782  -8.557   1.501
  385   3HG2  THR  51          HG23      THR  51  -2.495  -7.292   0.314
  386    H    PHE  52           HN       PHE  52  -3.720  -3.830   0.877
  387    HA   PHE  52           HA       PHE  52  -3.018  -3.606  -1.950
  388   1HB   PHE  52           HB2      PHE  52  -2.957  -1.900   0.392
  389   2HB   PHE  52           HB1      PHE  52  -1.460  -1.791  -0.526
  390    HD1  PHE  52           HD1      PHE  52  -1.512  -1.072  -2.928
  391    HD2  PHE  52           HD2      PHE  52  -5.044  -1.183  -0.589
  392    HE1  PHE  52           HE1      PHE  52  -2.692   0.289  -4.612
  393    HE2  PHE  52           HE2      PHE  52  -6.175   0.265  -2.183
  394    HZ   PHE  52           HZ       PHE  52  -4.989   1.039  -4.184
  395    H    THR  53           HN       THR  53  -0.715  -3.388  -2.621
  396    HA   THR  53           HA       THR  53   1.316  -4.501  -0.833
  397    HB   THR  53           HB       THR  53   0.382  -6.088  -3.253
  398    HG1  THR  53           HG1      THR  53  -0.859  -6.522  -1.497
  399   1HG2  THR  53          HG21      THR  53   2.799  -6.263  -1.446
  400   2HG2  THR  53          HG23      THR  53   2.082  -7.736  -2.089
  401   3HG2  THR  53          HG22      THR  53   2.720  -6.517  -3.187
  402    H    VAL  54           HN       VAL  54   3.315  -3.832  -1.415
  403    HA   VAL  54           HA       VAL  54   3.721  -2.819  -4.190
  404    HB   VAL  54           HB       VAL  54   3.081  -0.911  -2.668
  405   1HG1  VAL  54          HG12      VAL  54   4.210  -1.976  -0.664
  406   2HG1  VAL  54          HG11      VAL  54   5.748  -1.461  -1.347
  407   3HG1  VAL  54          HG13      VAL  54   4.544  -0.265  -0.884
  408   1HG2  VAL  54          HG23      VAL  54   5.888  -0.981  -3.810
  409   2HG2  VAL  54          HG22      VAL  54   4.437  -0.375  -4.587
  410   3HG2  VAL  54          HG21      VAL  54   5.125   0.486  -3.220
  411    H    THR  55           HN       THR  55   5.917  -2.840  -4.833
  412    HA   THR  55           HA       THR  55   7.869  -4.035  -2.936
  413    HB   THR  55           HB       THR  55   7.252  -5.256  -5.663
  414    HG1  THR  55           HG1      THR  55   5.987  -5.416  -3.442
  415   1HG2  THR  55          HG23      THR  55   9.450  -5.559  -3.693
  416   2HG2  THR  55          HG22      THR  55   8.654  -7.069  -4.132
  417   3HG2  THR  55          HG21      THR  55   9.390  -6.067  -5.375
  418    H    GLU  56           HN       GLU  56   9.572  -2.699  -3.013
  419    HA   GLU  56           HA       GLU  56  10.069  -0.817  -5.094
  420   1HB   GLU  56           HB2      GLU  56  11.138  -1.344  -2.586
  421   2HB   GLU  56           HB1      GLU  56  12.484  -1.649  -3.676
  422   1HG   GLU  56           HG2      GLU  56  11.989   0.571  -4.778
  423   2HG   GLU  56           HG1      GLU  56  10.805   0.875  -3.510
   
  Start of MODEL          52
 Raw file had 423 H/Q atoms
  Entry Start of MODEL   52
    1   1H    MET   1           HT2      MET   1 -13.243   1.715   4.485
    2   2H    MET   1           HT1      MET   1 -14.432   1.724   3.273
    3   3H    MET   1           HT3      MET   1 -14.544   0.625   4.563
    4    HA   MET   1           HA       MET   1 -13.442  -0.867   3.392
    5   1HB   MET   1           HB2      MET   1 -12.831   1.308   1.374
    6   2HB   MET   1           HB1      MET   1 -12.772  -0.429   1.098
    7   1HG   MET   1           HG2      MET   1 -15.269  -0.285   1.999
    8   2HG   MET   1           HG1      MET   1 -15.136   1.363   1.447
    9   1HE   MET   1           HE1      MET   1 -17.398   0.015   0.632
   10   2HE   MET   1           HE3      MET   1 -17.017   1.437  -0.341
   11   3HE   MET   1           HE2      MET   1 -17.499  -0.067  -1.127
   12    H    THR   2           HN       THR   2 -11.816  -1.135   4.923
   13    HA   THR   2           HA       THR   2  -9.332   0.471   4.569
   14    HB   THR   2           HB       THR   2  -9.626  -1.557   6.772
   15    HG1  THR   2           HG1      THR   2 -11.617  -0.472   6.668
   16   1HG2  THR   2          HG21      THR   2  -7.660   0.164   6.359
   17   2HG2  THR   2          HG23      THR   2  -8.816   1.345   6.966
   18   3HG2  THR   2          HG22      THR   2  -8.316  -0.001   7.985
   19    OH   TYR   3           OH       TYR   3 -11.454   0.343  -1.038
   20    H    TYR   3           HN       TYR   3  -7.815  -0.359   3.287
   21    HA   TYR   3           HA       TYR   3  -7.755  -3.303   2.844
   22   1HB   TYR   3           HB2      TYR   3  -6.061  -1.288   1.378
   23   2HB   TYR   3           HB1      TYR   3  -6.582  -2.877   0.838
   24    HD1  TYR   3           HD1      TYR   3  -7.872   0.514   1.719
   25    HD2  TYR   3           HD2      TYR   3  -8.606  -3.113  -0.375
   26    HE1  TYR   3           HE1      TYR   3  -9.849   1.516   0.675
   27    HE2  TYR   3           HE2      TYR   3 -10.572  -2.097  -1.438
   28    HH   TYR   3           HH       TYR   3 -11.858   0.937  -0.401
   29    H    LYS   4           HN       LYS   4  -5.527  -4.278   2.667
   30    HA   LYS   4           HA       LYS   4  -3.793  -3.205   4.869
   31   1HB   LYS   4           HB2      LYS   4  -5.031  -5.579   4.897
   32   2HB   LYS   4           HB1      LYS   4  -3.614  -6.047   3.969
   33   1HG   LYS   4           HG2      LYS   4  -2.154  -5.104   5.749
   34   2HG   LYS   4           HG1      LYS   4  -3.586  -4.694   6.681
   35   1HD   LYS   4           HD2      LYS   4  -3.951  -6.856   7.326
   36   2HD   LYS   4           HD1      LYS   4  -3.463  -7.509   5.767
   37   1HE   LYS   4           HE2      LYS   4  -1.443  -6.290   7.654
   38   2HE   LYS   4           HE1      LYS   4  -1.919  -7.978   7.796
   39   1HZ   LYS   4           HZ2      LYS   4  -1.355  -8.145   5.355
   40   2HZ   LYS   4           HZ1      LYS   4  -0.589  -6.638   5.524
   41   3HZ   LYS   4           HZ3      LYS   4  -0.050  -7.971   6.428
   42    H    LEU   5           HN       LEU   5  -1.952  -2.344   4.121
   43    HA   LEU   5           HA       LEU   5  -0.968  -3.042   1.444
   44   1HB   LEU   5           HB2      LEU   5  -0.888  -0.701   2.045
   45   2HB   LEU   5           HB1      LEU   5  -0.063  -1.055   3.553
   46    HG   LEU   5           HG       LEU   5   1.923  -1.894   2.155
   47   1HD1  LEU   5          HD13      LEU   5   0.328  -0.563  -0.054
   48   2HD1  LEU   5          HD12      LEU   5   1.990  -1.110  -0.195
   49   3HD1  LEU   5          HD11      LEU   5   0.702  -2.281   0.040
   50   1HD2  LEU   5          HD21      LEU   5   1.703   0.421   3.181
   51   2HD2  LEU   5          HD23      LEU   5   2.784   0.307   1.796
   52   3HD2  LEU   5          HD22      LEU   5   1.171   0.971   1.600
   53    H    ILE   6           HN       ILE   6   1.068  -3.918   1.013
   54    HA   ILE   6           HA       ILE   6   2.523  -5.143   3.281
   55    HB   ILE   6           HB       ILE   6   2.144  -6.420   0.565
   56   1HG1  ILE   6          HG12      ILE   6   0.691  -6.806   3.195
   57   2HG1  ILE   6          HG11      ILE   6  -0.012  -6.436   1.626
   58   1HG2  ILE   6          HG21      ILE   6   4.204  -6.954   2.035
   59   2HG2  ILE   6          HG23      ILE   6   3.063  -7.701   3.147
   60   3HG2  ILE   6          HG22      ILE   6   3.231  -8.321   1.508
   61   1HD1  ILE   6           HD2      ILE   6   1.016  -8.675   0.838
   62   2HD1  ILE   6           HD1      ILE   6   1.232  -9.035   2.548
   63   3HD1  ILE   6           HD3      ILE   6  -0.381  -8.769   1.902
   64    H    LEU   7           HN       LEU   7   4.284  -3.850   3.377
   65    HA   LEU   7           HA       LEU   7   5.478  -2.726   0.966
   66   1HB   LEU   7           HB2      LEU   7   6.300  -2.662   3.863
   67   2HB   LEU   7           HB1      LEU   7   7.183  -1.836   2.587
   68    HG   LEU   7           HG       LEU   7   4.284  -1.337   2.520
   69   1HD1  LEU   7          HD11      LEU   7   5.950  -0.426   4.891
   70   2HD1  LEU   7          HD13      LEU   7   4.362   0.214   4.483
   71   3HD1  LEU   7          HD12      LEU   7   4.537  -1.474   4.955
   72   1HD2  LEU   7          HD22      LEU   7   5.973  -0.109   1.177
   73   2HD2  LEU   7          HD21      LEU   7   5.096   0.981   2.246
   74   3HD2  LEU   7          HD23      LEU   7   6.727   0.466   2.661
   75    H    ASN   8           HN       ASN   8   6.739  -3.855  -0.337
   76    HA   ASN   8           HA       ASN   8   8.431  -6.013   0.838
   77   1HB   ASN   8           HB2      ASN   8   6.841  -5.755  -1.583
   78   2HB   ASN   8           HB1      ASN   8   8.491  -6.204  -1.964
   79   1HD2  ASN   8          HD22      ASN   8   6.117  -9.058  -0.818
   80   2HD2  ASN   8          HD21      ASN   8   5.690  -7.644  -1.642
   81    H    GLY   9           HN       GLY   9   9.202  -3.338   1.153
   82   1HA   GLY   9           HA2      GLY   9  10.864  -2.218  -0.803
   83   2HA   GLY   9           HA1      GLY   9  11.160  -2.045   0.919
   84    H    LYS  10           HN       LYS  10  13.048  -2.408  -1.307
   85    HA   LYS  10           HA       LYS  10  14.091  -5.057  -1.375
   86   1HB   LYS  10           HB2      LYS  10  14.708  -2.688  -2.621
   87   2HB   LYS  10           HB1      LYS  10  16.080  -2.882  -1.541
   88   1HG   LYS  10           HG2      LYS  10  15.093  -5.035  -3.452
   89   2HG   LYS  10           HG1      LYS  10  16.438  -3.951  -3.782
   90   1HD   LYS  10           HD2      LYS  10  17.660  -4.799  -1.839
   91   2HD   LYS  10           HD1      LYS  10  16.297  -5.815  -1.389
   92   1HE   LYS  10           HE2      LYS  10  18.260  -6.879  -2.751
   93   2HE   LYS  10           HE1      LYS  10  16.606  -7.267  -3.206
   94   1HZ   LYS  10           HZ2      LYS  10  17.820  -4.927  -4.450
   95   2HZ   LYS  10           HZ1      LYS  10  18.384  -6.450  -4.946
   96   3HZ   LYS  10           HZ3      LYS  10  16.736  -6.065  -5.094
   97    H    THR  11           HN       THR  11  15.286  -2.253   0.462
   98    HA   THR  11           HA       THR  11  16.730  -4.105   2.255
   99    HB   THR  11           HB       THR  11  18.115  -2.287   2.750
  100    HG1  THR  11           HG1      THR  11  16.563  -0.207   2.129
  101   1HG2  THR  11          HG23      THR  11  17.673  -2.441   0.123
  102   2HG2  THR  11          HG22      THR  11  16.856  -0.906   0.398
  103   3HG2  THR  11          HG21      THR  11  18.564  -1.077   0.786
  104    H    LEU  12           HN       LEU  12  13.666  -3.203   2.144
  105    HA   LEU  12           HA       LEU  12  13.379  -3.362   5.072
  106   1HB   LEU  12           HB2      LEU  12  13.724  -0.903   4.444
  107   2HB   LEU  12           HB1      LEU  12  12.144  -0.993   3.675
  108    HG   LEU  12           HG       LEU  12  11.601  -2.152   6.092
  109   1HD1  LEU  12          HD12      LEU  12  13.995  -1.561   6.770
  110   2HD1  LEU  12          HD11      LEU  12  13.506   0.129   6.693
  111   3HD1  LEU  12          HD13      LEU  12  12.737  -0.959   7.844
  112   1HD2  LEU  12          HD23      LEU  12  11.496   0.725   5.164
  113   2HD2  LEU  12          HD22      LEU  12  10.185  -0.448   5.227
  114   3HD2  LEU  12          HD21      LEU  12  10.824   0.240   6.717
  115    H    LYS  13           HN       LYS  13  11.400  -4.117   5.722
  116    HA   LYS  13           HA       LYS  13   9.278  -4.446   3.646
  117   1HB   LYS  13           HB2      LYS  13  10.456  -6.596   5.418
  118   2HB   LYS  13           HB1      LYS  13   8.889  -6.770   4.641
  119   1HG   LYS  13           HG2      LYS  13   9.842  -7.226   2.637
  120   2HG   LYS  13           HG1      LYS  13  10.924  -5.848   2.761
  121   1HD   LYS  13           HD2      LYS  13  12.413  -7.153   4.255
  122   2HD   LYS  13           HD1      LYS  13  11.334  -8.536   4.108
  123   1HE   LYS  13           HE2      LYS  13  12.433  -9.143   2.232
  124   2HE   LYS  13           HE1      LYS  13  11.872  -7.662   1.465
  125   1HZ   LYS  13           HZ2      LYS  13  13.812  -6.547   2.570
  126   2HZ   LYS  13           HZ1      LYS  13  14.393  -8.097   2.949
  127   3HZ   LYS  13           HZ3      LYS  13  14.196  -7.638   1.326
  128    H    GLY  14           HN       GLY  14   7.230  -4.143   4.413
  129   1HA   GLY  14           HA2      GLY  14   6.690  -4.269   7.299
  130   2HA   GLY  14           HA1      GLY  14   6.604  -2.653   6.609
  131    H    GLU  15           HN       GLU  15   4.341  -2.898   7.414
  132    HA   GLU  15           HA       GLU  15   2.533  -3.375   5.249
  133   1HB   GLU  15           HB2      GLU  15   1.356  -5.339   6.043
  134   2HB   GLU  15           HB1      GLU  15   3.057  -5.758   5.903
  135   1HG   GLU  15           HG2      GLU  15   3.184  -4.982   8.411
  136   2HG   GLU  15           HG1      GLU  15   1.441  -5.236   8.388
  137    H    THR  16           HN       THR  16   0.889  -2.019   5.622
  138    HA   THR  16           HA       THR  16  -0.058  -1.628   8.418
  139    HB   THR  16           HB       THR  16   1.415   0.268   8.238
  140    HG1  THR  16           HG1      THR  16  -0.337   1.917   7.666
  141   1HG2  THR  16          HG22      THR  16   0.450   0.259   5.401
  142   2HG2  THR  16          HG21      THR  16   0.786   1.823   6.130
  143   3HG2  THR  16          HG23      THR  16   2.059   0.610   6.016
  144    H    THR  17           HN       THR  17  -2.110  -0.208   8.374
  145    HA   THR  17           HA       THR  17  -3.712  -0.925   5.940
  146    HB   THR  17           HB       THR  17  -5.532  -1.621   7.304
  147    HG1  THR  17           HG1      THR  17  -4.277  -0.565   9.586
  148   1HG2  THR  17          HG22      THR  17  -3.075  -2.788   7.893
  149   2HG2  THR  17          HG21      THR  17  -3.634  -2.260   9.474
  150   3HG2  THR  17          HG23      THR  17  -4.621  -3.355   8.512
  151    H    THR  18           HN       THR  18  -5.074   0.610   5.136
  152    HA   THR  18           HA       THR  18  -5.277   3.198   6.623
  153    HB   THR  18           HB       THR  18  -3.552   3.137   4.627
  154    HG1  THR  18           HG1      THR  18  -5.367   4.860   5.629
  155   1HG2  THR  18          HG23      THR  18  -5.549   2.146   3.137
  156   2HG2  THR  18          HG22      THR  18  -6.018   3.840   3.055
  157   3HG2  THR  18          HG21      THR  18  -4.441   3.333   2.460
  158    H    GLU  19           HN       GLU  19  -7.170   4.394   6.235
  159    HA   GLU  19           HA       GLU  19  -9.409   2.754   5.173
  160   1HB   GLU  19           HB2      GLU  19  -9.270   4.118   7.479
  161   2HB   GLU  19           HB1      GLU  19  -9.895   5.400   6.447
  162   1HG   GLU  19           HG2      GLU  19 -11.705   3.840   5.685
  163   2HG   GLU  19           HG1      GLU  19 -11.113   2.644   6.835
  164    H    ALA  20           HN       ALA  20 -10.223   3.159   3.218
  165    HA   ALA  20           HA       ALA  20 -10.080   5.928   2.134
  166   1HB   ALA  20           HB1      ALA  20  -8.722   3.527   1.072
  167   2HB   ALA  20           HB3      ALA  20  -9.591   4.484  -0.122
  168   3HB   ALA  20           HB2      ALA  20  -8.328   5.227   0.854
  169    H    VAL  21           HN       VAL  21 -11.507   6.205   0.223
  170    HA   VAL  21           HA       VAL  21 -13.983   4.601   0.606
  171    HB   VAL  21           HB       VAL  21 -14.480   6.899   0.761
  172   1HG1  VAL  21          HG12      VAL  21 -12.351   7.106  -1.321
  173   2HG1  VAL  21          HG11      VAL  21 -13.626   8.320  -1.365
  174   3HG1  VAL  21          HG13      VAL  21 -12.646   8.127   0.084
  175   1HG2  VAL  21          HG23      VAL  21 -15.755   5.485  -1.049
  176   2HG2  VAL  21          HG22      VAL  21 -15.992   7.229  -1.009
  177   3HG2  VAL  21          HG21      VAL  21 -14.907   6.515  -2.197
  178    H    ASP  22           HN       ASP  22 -11.547   5.390  -1.762
  179    HA   ASP  22           HA       ASP  22 -12.803   3.413  -3.624
  180   1HB   ASP  22           HB2      ASP  22 -11.761   4.970  -5.460
  181   2HB   ASP  22           HB1      ASP  22 -13.315   5.397  -4.749
  182    H    ALA  23           HN       ALA  23 -11.278   2.438  -5.122
  183    HA   ALA  23           HA       ALA  23  -8.840   1.651  -3.807
  184   1HB   ALA  23           HB3      ALA  23 -10.195   1.066  -6.376
  185   2HB   ALA  23           HB2      ALA  23  -8.451   0.829  -6.360
  186   3HB   ALA  23           HB1      ALA  23  -9.467  -0.039  -5.213
  187    H    ALA  24           HN       ALA  24  -9.643   4.165  -6.042
  188    HA   ALA  24           HA       ALA  24  -6.996   4.630  -7.080
  189   1HB   ALA  24           HB3      ALA  24  -9.380   5.547  -7.815
  190   2HB   ALA  24           HB2      ALA  24  -8.931   6.884  -6.761
  191   3HB   ALA  24           HB1      ALA  24  -7.915   6.470  -8.138
  192    H    THR  25           HN       THR  25  -8.855   6.457  -4.643
  193    HA   THR  25           HA       THR  25  -6.686   8.081  -3.799
  194    HB   THR  25           HB       THR  25  -9.255   8.230  -3.191
  195    HG1  THR  25           HG1      THR  25  -6.899   8.822  -1.791
  196   1HG2  THR  25          HG22      THR  25  -8.932   5.959  -1.836
  197   2HG2  THR  25          HG21      THR  25  -8.213   7.026  -0.635
  198   3HG2  THR  25          HG23      THR  25  -9.884   7.262  -1.133
  199    H    ALA  26           HN       ALA  26  -7.417   4.765  -3.143
  200    HA   ALA  26           HA       ALA  26  -5.886   4.516  -0.709
  201   1HB   ALA  26           HB1      ALA  26  -7.530   2.800  -1.436
  202   2HB   ALA  26           HB3      ALA  26  -6.485   2.395  -2.795
  203   3HB   ALA  26           HB2      ALA  26  -5.941   2.097  -1.146
  204    H    GLU  27           HN       GLU  27  -5.116   4.264  -4.135
  205    HA   GLU  27           HA       GLU  27  -2.443   3.286  -3.848
  206   1HB   GLU  27           HB2      GLU  27  -3.964   4.750  -5.967
  207   2HB   GLU  27           HB1      GLU  27  -2.212   4.715  -6.095
  208   1HG   GLU  27           HG2      GLU  27  -2.279   2.219  -5.905
  209   2HG   GLU  27           HG1      GLU  27  -4.037   2.302  -5.885
  210    H    LYS  28           HN       LYS  28  -3.787   6.543  -3.970
  211    HA   LYS  28           HA       LYS  28  -1.218   7.863  -3.732
  212   1HB   LYS  28           HB2      LYS  28  -4.040   8.847  -3.267
  213   2HB   LYS  28           HB1      LYS  28  -2.620   9.888  -3.293
  214   1HG   LYS  28           HG2      LYS  28  -2.152   9.342  -5.594
  215   2HG   LYS  28           HG1      LYS  28  -3.335   8.040  -5.590
  216   1HD   LYS  28           HD2      LYS  28  -4.673  10.452  -4.786
  217   2HD   LYS  28           HD1      LYS  28  -3.755  10.793  -6.246
  218   1HE   LYS  28           HE2      LYS  28  -4.764   8.820  -7.345
  219   2HE   LYS  28           HE1      LYS  28  -5.683   8.476  -5.886
  220   1HZ   LYS  28           HZ2      LYS  28  -6.189  11.114  -6.476
  221   2HZ   LYS  28           HZ1      LYS  28  -6.251  10.307  -7.971
  222   3HZ   LYS  28           HZ3      LYS  28  -7.241   9.797  -6.688
  223    H    VAL  29           HN       VAL  29  -3.815   7.063  -1.465
  224    HA   VAL  29           HA       VAL  29  -2.765   8.372   0.819
  225    HB   VAL  29           HB       VAL  29  -4.414   5.848   0.572
  226   1HG1  VAL  29          HG11      VAL  29  -3.373   7.351   2.963
  227   2HG1  VAL  29          HG13      VAL  29  -4.951   6.573   3.050
  228   3HG1  VAL  29          HG12      VAL  29  -3.512   5.612   2.724
  229   1HG2  VAL  29          HG23      VAL  29  -5.129   8.374  -0.047
  230   2HG2  VAL  29          HG22      VAL  29  -6.253   7.238   0.693
  231   3HG2  VAL  29          HG21      VAL  29  -5.420   8.427   1.689
  232    H    PHE  30           HN       PHE  30  -2.461   4.924  -0.027
  233    HA   PHE  30           HA       PHE  30  -0.527   4.331   1.977
  234   1HB   PHE  30           HB2      PHE  30  -1.377   3.036  -0.585
  235   2HB   PHE  30           HB1      PHE  30   0.095   2.469   0.186
  236    HD1  PHE  30           HD1      PHE  30  -0.248   2.258   2.932
  237    HD2  PHE  30           HD2      PHE  30  -3.295   1.831  -0.020
  238    HE1  PHE  30           HE1      PHE  30  -1.605   0.950   4.509
  239    HE2  PHE  30           HE2      PHE  30  -4.623   0.512   1.560
  240    HZ   PHE  30           HZ       PHE  30  -3.777   0.043   3.811
  241    H    LYS  31           HN       LYS  31  -0.174   5.448  -1.357
  242    HA   LYS  31           HA       LYS  31   2.646   5.160  -1.564
  243   1HB   LYS  31           HB2      LYS  31   1.285   5.688  -3.512
  244   2HB   LYS  31           HB1      LYS  31   0.826   7.234  -2.799
  245   1HG   LYS  31           HG2      LYS  31   3.010   8.120  -3.020
  246   2HG   LYS  31           HG1      LYS  31   3.729   6.527  -3.227
  247   1HD   LYS  31           HD2      LYS  31   3.560   7.790  -5.380
  248   2HD   LYS  31           HD1      LYS  31   2.654   6.283  -5.410
  249   1HE   LYS  31           HE2      LYS  31   1.469   8.425  -6.283
  250   2HE   LYS  31           HE1      LYS  31   0.576   7.386  -5.181
  251   1HZ   LYS  31           HZ3      LYS  31   2.202   9.452  -3.953
  252   2HZ   LYS  31           HZ2      LYS  31   0.849   9.991  -4.826
  253   3HZ   LYS  31           HZ1      LYS  31   0.652   8.897  -3.543
  254    H    GLN  32           HN       GLN  32   0.673   7.728  -0.183
  255    HA   GLN  32           HA       GLN  32   2.808   9.569   0.314
  256   1HB   GLN  32           HB2      GLN  32   0.462  10.252   0.483
  257   2HB   GLN  32           HB1      GLN  32   0.214   9.140   1.825
  258   1HG   GLN  32           HG2      GLN  32   2.499  10.953   2.224
  259   2HG   GLN  32           HG1      GLN  32   0.957  11.793   2.085
  260   1HE2  GLN  32          HE22      GLN  32   0.022  10.924   5.349
  261   2HE2  GLN  32          HE21      GLN  32  -0.116  11.992   4.038
  262    OH   TYR  33           OH       TYR  33   4.579   2.626   8.430
  263    H    TYR  33           HN       TYR  33   1.672   6.721   1.951
  264    HA   TYR  33           HA       TYR  33   3.228   7.180   4.375
  265   1HB   TYR  33           HB2      TYR  33   1.179   5.819   4.443
  266   2HB   TYR  33           HB1      TYR  33   1.895   4.673   3.316
  267    HD1  TYR  33           HD1      TYR  33   3.844   3.293   4.014
  268    HD2  TYR  33           HD2      TYR  33   1.835   5.826   6.775
  269    HE1  TYR  33           HE1      TYR  33   4.911   2.109   5.874
  270    HE2  TYR  33           HE2      TYR  33   2.902   4.641   8.639
  271    HH   TYR  33           HH       TYR  33   4.235   1.731   8.447
  272    H    ALA  34           HN       ALA  34   3.426   4.700   1.836
  273    HA   ALA  34           HA       ALA  34   5.871   3.551   2.448
  274   1HB   ALA  34           HB2      ALA  34   4.563   4.179  -0.183
  275   2HB   ALA  34           HB1      ALA  34   6.159   3.439  -0.149
  276   3HB   ALA  34           HB3      ALA  34   4.792   2.616   0.593
  277    H    ASN  35           HN       ASN  35   5.296   6.649   0.890
  278    HA   ASN  35           HA       ASN  35   7.901   7.271   0.023
  279   1HB   ASN  35           HB2      ASN  35   5.877   8.675  -0.387
  280   2HB   ASN  35           HB1      ASN  35   5.934   9.193   1.296
  281   1HD2  ASN  35          HD22      ASN  35   7.889  11.511  -1.052
  282   2HD2  ASN  35          HD21      ASN  35   6.363  10.792  -1.239
  283    H    ASP  36           HN       ASP  36   6.436   7.999   3.187
  284    HA   ASP  36           HA       ASP  36   8.600   9.211   4.453
  285   1HB   ASP  36           HB2      ASP  36   6.359   7.489   5.381
  286   2HB   ASP  36           HB1      ASP  36   7.690   7.733   6.508
  287    H    ASN  37           HN       ASN  37   8.402   6.022   3.263
  288    HA   ASN  37           HA       ASN  37  10.795   5.184   4.850
  289   1HB   ASN  37           HB2      ASN  37   8.826   3.536   3.241
  290   2HB   ASN  37           HB1      ASN  37  10.208   2.885   4.117
  291   1HD2  ASN  37          HD22      ASN  37   6.848   3.986   6.141
  292   2HD2  ASN  37          HD21      ASN  37   6.994   4.278   4.476
  293    H    GLY  38           HN       GLY  38   9.598   5.830   1.651
  294   1HA   GLY  38           HA2      GLY  38  11.069   6.447  -0.169
  295   2HA   GLY  38           HA1      GLY  38  12.370   5.559   0.618
  296    H    VAL  39           HN       VAL  39   9.283   4.052   0.465
  297    HA   VAL  39           HA       VAL  39  10.385   2.065  -1.446
  298    HB   VAL  39           HB       VAL  39   7.942   1.995   0.347
  299   1HG1  VAL  39          HG11      VAL  39   9.003   0.143  -1.771
  300   2HG1  VAL  39          HG13      VAL  39   8.231  -0.547  -0.346
  301   3HG1  VAL  39          HG12      VAL  39   7.333   0.552  -1.388
  302   1HG2  VAL  39          HG21      VAL  39  10.131   1.853   1.512
  303   2HG2  VAL  39          HG23      VAL  39   9.272   0.318   1.585
  304   3HG2  VAL  39          HG22      VAL  39  10.603   0.528   0.452
  305    H    ASP  40           HN       ASP  40  10.125   3.444  -3.311
  306    HA   ASP  40           HA       ASP  40   7.288   3.545  -4.271
  307   1HB   ASP  40           HB2      ASP  40   9.481   5.596  -4.649
  308   2HB   ASP  40           HB1      ASP  40   7.963   5.613  -5.542
  309    H    GLY  41           HN       GLY  41   7.051   2.179  -5.910
  310   1HA   GLY  41           HA2      GLY  41   8.766   2.277  -8.238
  311   2HA   GLY  41           HA1      GLY  41   9.050   0.812  -7.301
  312    H    GLU  42           HN       GLU  42   7.584  -0.833  -7.405
  313    HA   GLU  42           HA       GLU  42   5.390  -0.503  -9.385
  314   1HB   GLU  42           HB2      GLU  42   6.119  -3.105  -8.100
  315   2HB   GLU  42           HB1      GLU  42   5.493  -2.809  -9.717
  316   1HG   GLU  42           HG2      GLU  42   8.290  -2.237  -8.692
  317   2HG   GLU  42           HG1      GLU  42   7.828  -3.350  -9.976
  318    CH2  TRP  43           CH2      TRP  43   2.054   2.592  -2.126
  319    H    TRP  43           HN       TRP  43   3.261  -0.757  -8.849
  320    HA   TRP  43           HA       TRP  43   2.654  -1.272  -5.957
  321   1HB   TRP  43           HB2      TRP  43   1.602   0.804  -7.857
  322   2HB   TRP  43           HB1      TRP  43   0.644   0.296  -6.476
  323    HD1  TRP  43           HD1      TRP  43   4.201   1.582  -7.269
  324    HE1  TRP  43           HE1      TRP  43   4.948   2.913  -5.239
  325    HE3  TRP  43           HE3      TRP  43   0.290   0.752  -4.308
  326    HZ2  TRP  43           HZ2      TRP  43   3.957   3.477  -2.506
  327    HZ3  TRP  43           HZ3      TRP  43   0.171   1.595  -2.020
  328    HH2  TRP  43           HH2      TRP  43   1.999   2.961  -1.114
  329    H    THR  44           HN       THR  44   1.218  -2.824  -5.554
  330    HA   THR  44           HA       THR  44  -0.421  -3.858  -7.844
  331    HB   THR  44           HB       THR  44  -0.332  -6.064  -6.424
  332    HG1  THR  44           HG1      THR  44   1.406  -6.025  -4.997
  333   1HG2  THR  44          HG22      THR  44   1.039  -5.605  -8.556
  334   2HG2  THR  44          HG21      THR  44   2.323  -5.041  -7.492
  335   3HG2  THR  44          HG23      THR  44   1.782  -6.714  -7.410
  336    OH   TYR  45           OH       TYR  45  -8.965  -1.273  -3.180
  337    H    TYR  45           HN       TYR  45  -2.421  -4.998  -7.132
  338    HA   TYR  45           HA       TYR  45  -3.599  -3.914  -4.617
  339   1HB   TYR  45           HB2      TYR  45  -4.082  -2.459  -6.702
  340   2HB   TYR  45           HB1      TYR  45  -5.086  -3.801  -7.255
  341    HD1  TYR  45           HD1      TYR  45  -6.677  -4.697  -5.010
  342    HD2  TYR  45           HD2      TYR  45  -5.355  -0.746  -5.838
  343    HE1  TYR  45           HE1      TYR  45  -8.456  -3.807  -3.604
  344    HE2  TYR  45           HE2      TYR  45  -7.179   0.140  -4.478
  345    HH   TYR  45           HH       TYR  45  -9.740  -1.182  -3.740
  346    H    ASP  46           HN       ASP  46  -4.671  -5.481  -3.563
  347    HA   ASP  46           HA       ASP  46  -5.492  -7.918  -5.103
  348   1HB   ASP  46           HB2      ASP  46  -3.666  -8.051  -3.247
  349   2HB   ASP  46           HB1      ASP  46  -5.021  -7.898  -2.131
  350    H    ASP  47           HN       ASP  47  -7.540  -6.908  -5.575
  351    HA   ASP  47           HA       ASP  47  -9.314  -5.991  -3.498
  352   1HB   ASP  47           HB2      ASP  47  -9.733  -5.270  -5.750
  353   2HB   ASP  47           HB1      ASP  47  -9.812  -6.932  -6.330
  354    H    ALA  48           HN       ALA  48  -8.342  -9.091  -4.506
  355    HA   ALA  48           HA       ALA  48 -10.659 -10.649  -4.012
  356   1HB   ALA  48           HB1      ALA  48  -8.467 -11.458  -4.982
  357   2HB   ALA  48           HB3      ALA  48  -7.825 -11.470  -3.342
  358   3HB   ALA  48           HB2      ALA  48  -9.168 -12.525  -3.769
  359    H    THR  49           HN       THR  49  -8.079  -9.654  -1.781
  360    HA   THR  49           HA       THR  49  -9.922 -10.300   0.496
  361    HB   THR  49           HB       THR  49  -7.817 -10.791   1.823
  362    HG1  THR  49           HG1      THR  49  -6.466  -9.526   0.494
  363   1HG2  THR  49          HG21      THR  49  -8.148 -12.322  -0.789
  364   2HG2  THR  49          HG23      THR  49  -7.166 -12.872   0.564
  365   3HG2  THR  49          HG22      THR  49  -8.911 -12.729   0.744
  366    H    LYS  50           HN       LYS  50  -9.184  -7.769  -1.109
  367    HA   LYS  50           HA       LYS  50  -8.817  -5.495  -0.621
  368   1HB   LYS  50           HB2      LYS  50  -9.730  -6.371   2.137
  369   2HB   LYS  50           HB1      LYS  50  -9.721  -4.722   1.526
  370   1HG   LYS  50           HG2      LYS  50 -11.183  -6.804  -0.065
  371   2HG   LYS  50           HG1      LYS  50 -11.931  -6.211   1.412
  372   1HD   LYS  50           HD2      LYS  50 -10.784  -4.223  -0.516
  373   2HD   LYS  50           HD1      LYS  50 -12.335  -4.962  -0.893
  374   1HE   LYS  50           HE2      LYS  50 -11.888  -3.883   1.872
  375   2HE   LYS  50           HE1      LYS  50 -12.221  -2.749   0.569
  376   1HZ   LYS  50           HZ1      LYS  50 -14.168  -4.280   0.042
  377   2HZ   LYS  50           HZ3      LYS  50 -13.925  -4.926   1.594
  378   3HZ   LYS  50           HZ2      LYS  50 -14.296  -3.279   1.408
  379    H    THR  51           HN       THR  51  -6.503  -6.560  -0.809
  380    HA   THR  51           HA       THR  51  -4.963  -5.592   1.564
  381    HB   THR  51           HB       THR  51  -4.730  -8.276   0.164
  382    HG1  THR  51           HG1      THR  51  -5.974  -7.618   2.163
  383   1HG2  THR  51          HG21      THR  51  -2.709  -6.948   2.010
  384   2HG2  THR  51          HG23      THR  51  -2.675  -8.631   1.514
  385   3HG2  THR  51          HG22      THR  51  -2.408  -7.361   0.328
  386    H    PHE  52           HN       PHE  52  -3.705  -3.947   0.851
  387    HA   PHE  52           HA       PHE  52  -3.019  -3.715  -1.981
  388   1HB   PHE  52           HB2      PHE  52  -3.062  -1.999   0.338
  389   2HB   PHE  52           HB1      PHE  52  -1.534  -1.856  -0.515
  390    HD1  PHE  52           HD1      PHE  52  -1.503  -1.152  -2.921
  391    HD2  PHE  52           HD2      PHE  52  -5.118  -1.327  -0.714
  392    HE1  PHE  52           HE1      PHE  52  -2.653   0.153  -4.667
  393    HE2  PHE  52           HE2      PHE  52  -6.213   0.105  -2.352
  394    HZ   PHE  52           HZ       PHE  52  -4.971   0.887  -4.307
  395    H    THR  53           HN       THR  53  -0.716  -3.383  -2.630
  396    HA   THR  53           HA       THR  53   1.350  -4.413  -0.837
  397    HB   THR  53           HB       THR  53   0.469  -6.045  -3.248
  398    HG1  THR  53           HG1      THR  53  -0.007  -7.475  -1.612
  399   1HG2  THR  53          HG21      THR  53   2.977  -6.011  -1.583
  400   2HG2  THR  53          HG23      THR  53   2.309  -7.573  -2.051
  401   3HG2  THR  53          HG22      THR  53   2.795  -6.417  -3.287
  402    H    VAL  54           HN       VAL  54   3.317  -3.639  -1.409
  403    HA   VAL  54           HA       VAL  54   3.670  -2.595  -4.181
  404    HB   VAL  54           HB       VAL  54   2.948  -0.735  -2.627
  405   1HG1  VAL  54          HG12      VAL  54   4.185  -1.766  -0.664
  406   2HG1  VAL  54          HG11      VAL  54   5.668  -1.138  -1.371
  407   3HG1  VAL  54          HG13      VAL  54   4.396  -0.033  -0.862
  408   1HG2  VAL  54          HG22      VAL  54   5.704  -0.684  -3.877
  409   2HG2  VAL  54          HG21      VAL  54   4.205  -0.066  -4.547
  410   3HG2  VAL  54          HG23      VAL  54   4.960   0.747  -3.186
  411    H    THR  55           HN       THR  55   5.835  -2.545  -4.852
  412    HA   THR  55           HA       THR  55   7.863  -3.656  -2.975
  413    HB   THR  55           HB       THR  55   7.287  -4.860  -5.717
  414    HG1  THR  55           HG1      THR  55   6.018  -6.085  -4.551
  415   1HG2  THR  55          HG22      THR  55   9.499  -5.105  -3.752
  416   2HG2  THR  55          HG21      THR  55   8.772  -6.637  -4.231
  417   3HG2  THR  55          HG23      THR  55   9.464  -5.572  -5.447
  418    H    GLU  56           HN       GLU  56   9.716  -2.543  -3.152
  419    HA   GLU  56           HA       GLU  56  10.028  -0.525  -5.229
  420   1HB   GLU  56           HB2      GLU  56  10.991  -0.827  -2.667
  421   2HB   GLU  56           HB1      GLU  56  12.412  -1.176  -3.641
  422   1HG   GLU  56           HG2      GLU  56  10.659   1.294  -3.901
  423   2HG   GLU  56           HG1      GLU  56  12.257   1.244  -3.160
   
  Start of MODEL          53
 Raw file had 423 H/Q atoms
  Entry Start of MODEL   53
    1   1H    MET   1           HT2      MET   1 -13.712   1.216   5.941
    2   2H    MET   1           HT1      MET   1 -15.162   0.982   5.088
    3   3H    MET   1           HT3      MET   1 -14.340  -0.350   5.746
    4    HA   MET   1           HA       MET   1 -13.606  -0.563   3.640
    5   1HB   MET   1           HB2      MET   1 -13.522   2.426   3.236
    6   2HB   MET   1           HB1      MET   1 -13.576   1.162   2.013
    7   1HG   MET   1           HG2      MET   1 -15.822   0.591   3.429
    8   2HG   MET   1           HG1      MET   1 -15.755   2.319   3.652
    9   1HE   MET   1           HE2      MET   1 -18.057   0.536   2.478
   10   2HE   MET   1           HE1      MET   1 -18.140   0.395   0.722
   11   3HE   MET   1           HE3      MET   1 -16.952  -0.544   1.627
   12    H    THR   2           HN       THR   2 -11.710  -1.312   4.580
   13    HA   THR   2           HA       THR   2  -9.433   0.591   4.425
   14    HB   THR   2           HB       THR   2  -9.864  -1.226   6.833
   15    HG1  THR   2           HG1      THR   2 -10.832   0.492   7.660
   16   1HG2  THR   2          HG21      THR   2  -7.517  -0.067   5.898
   17   2HG2  THR   2          HG23      THR   2  -8.152   1.172   6.976
   18   3HG2  THR   2          HG22      THR   2  -7.837  -0.449   7.587
   19    OH   TYR   3           OH       TYR   3 -11.590   0.095  -1.243
   20    H    TYR   3           HN       TYR   3  -7.891  -0.301   3.198
   21    HA   TYR   3           HA       TYR   3  -7.930  -3.247   2.797
   22   1HB   TYR   3           HB2      TYR   3  -6.184  -1.251   1.344
   23   2HB   TYR   3           HB1      TYR   3  -6.635  -2.872   0.827
   24    HD1  TYR   3           HD1      TYR   3  -7.964   0.548   1.433
   25    HD2  TYR   3           HD2      TYR   3  -8.726  -3.269  -0.277
   26    HE1  TYR   3           HE1      TYR   3  -9.958   1.440   0.315
   27    HE2  TYR   3           HE2      TYR   3 -10.716  -2.378  -1.391
   28    HH   TYR   3           HH       TYR   3 -12.364  -0.233  -0.779
   29    H    LYS   4           HN       LYS   4  -5.524  -4.087   2.382
   30    HA   LYS   4           HA       LYS   4  -3.885  -3.199   4.726
   31   1HB   LYS   4           HB2      LYS   4  -5.094  -5.402   5.021
   32   2HB   LYS   4           HB1      LYS   4  -4.140  -6.029   3.699
   33   1HG   LYS   4           HG2      LYS   4  -2.250  -6.203   4.965
   34   2HG   LYS   4           HG1      LYS   4  -2.544  -4.688   5.802
   35   1HD   LYS   4           HD2      LYS   4  -4.137  -5.723   7.287
   36   2HD   LYS   4           HD1      LYS   4  -4.140  -7.206   6.337
   37   1HE   LYS   4           HE2      LYS   4  -1.515  -6.237   7.393
   38   2HE   LYS   4           HE1      LYS   4  -2.637  -6.965   8.536
   39   1HZ   LYS   4           HZ2      LYS   4  -2.405  -8.453   6.101
   40   2HZ   LYS   4           HZ1      LYS   4  -0.924  -8.303   6.918
   41   3HZ   LYS   4           HZ3      LYS   4  -2.265  -8.976   7.712
   42    H    LEU   5           HN       LEU   5  -2.054  -2.324   3.997
   43    HA   LEU   5           HA       LEU   5  -1.018  -3.001   1.348
   44   1HB   LEU   5           HB2      LEU   5  -0.853  -0.694   2.060
   45   2HB   LEU   5           HB1      LEU   5  -0.059  -1.149   3.560
   46    HG   LEU   5           HG       LEU   5   1.904  -1.999   2.157
   47   1HD1  LEU   5          HD12      LEU   5   0.344  -0.594  -0.032
   48   2HD1  LEU   5          HD11      LEU   5   2.017  -1.116  -0.175
   49   3HD1  LEU   5          HD13      LEU   5   0.740  -2.308   0.016
   50   1HD2  LEU   5          HD23      LEU   5   1.768   0.281   3.243
   51   2HD2  LEU   5          HD22      LEU   5   2.831   0.192   1.843
   52   3HD2  LEU   5          HD21      LEU   5   1.232   0.907   1.689
   53    H    ILE   6           HN       ILE   6   1.006  -3.931   0.929
   54    HA   ILE   6           HA       ILE   6   2.351  -5.296   3.174
   55    HB   ILE   6           HB       ILE   6   1.454  -6.422   0.541
   56   1HG1  ILE   6          HG12      ILE   6   1.553  -7.521   3.376
   57   2HG1  ILE   6          HG11      ILE   6   0.149  -6.740   2.670
   58   1HG2  ILE   6          HG21      ILE   6   3.921  -7.129   2.136
   59   2HG2  ILE   6          HG23      ILE   6   3.082  -8.373   1.223
   60   3HG2  ILE   6          HG22      ILE   6   3.749  -6.979   0.392
   61   1HD1  ILE   6           HD3      ILE   6   0.649  -8.596   0.748
   62   2HD1  ILE   6           HD2      ILE   6   1.252  -9.455   2.162
   63   3HD1  ILE   6           HD1      ILE   6  -0.412  -8.897   2.119
   64    H    LEU   7           HN       LEU   7   4.161  -4.110   3.350
   65    HA   LEU   7           HA       LEU   7   5.447  -2.933   1.013
   66   1HB   LEU   7           HB2      LEU   7   6.181  -3.029   3.933
   67   2HB   LEU   7           HB1      LEU   7   7.181  -2.234   2.725
   68    HG   LEU   7           HG       LEU   7   4.355  -1.485   2.507
   69   1HD1  LEU   7          HD13      LEU   7   5.875  -0.908   5.073
   70   2HD1  LEU   7          HD12      LEU   7   4.414  -0.059   4.579
   71   3HD1  LEU   7          HD11      LEU   7   4.353  -1.784   4.928
   72   1HD2  LEU   7          HD21      LEU   7   6.269  -0.329   1.406
   73   2HD2  LEU   7          HD23      LEU   7   5.362   0.764   2.446
   74   3HD2  LEU   7          HD22      LEU   7   6.900   0.105   2.992
   75    H    ASN   8           HN       ASN   8   6.673  -4.077  -0.325
   76    HA   ASN   8           HA       ASN   8   8.276  -6.328   0.799
   77   1HB   ASN   8           HB2      ASN   8   6.720  -5.945  -1.630
   78   2HB   ASN   8           HB1      ASN   8   8.352  -6.462  -1.997
   79   1HD2  ASN   8          HD22      ASN   8   5.834  -9.230  -0.951
   80   2HD2  ASN   8          HD21      ASN   8   5.489  -7.785  -1.759
   81    H    GLY   9           HN       GLY   9   9.073  -3.648   1.142
   82   1HA   GLY   9           HA2      GLY   9  10.872  -2.678  -0.834
   83   2HA   GLY   9           HA1      GLY   9  10.969  -2.285   0.876
   84    H    LYS  10           HN       LYS  10  13.041  -2.960  -1.179
   85    HA   LYS  10           HA       LYS  10  14.138  -5.549  -0.596
   86   1HB   LYS  10           HB2      LYS  10  15.506  -3.018  -1.545
   87   2HB   LYS  10           HB1      LYS  10  16.233  -4.621  -1.563
   88   1HG   LYS  10           HG2      LYS  10  13.548  -4.341  -2.833
   89   2HG   LYS  10           HG1      LYS  10  14.910  -3.626  -3.688
   90   1HD   LYS  10           HD2      LYS  10  16.113  -5.783  -3.591
   91   2HD   LYS  10           HD1      LYS  10  14.768  -6.500  -2.713
   92   1HE   LYS  10           HE2      LYS  10  13.858  -7.026  -4.716
   93   2HE   LYS  10           HE1      LYS  10  13.593  -5.306  -4.969
   94   1HZ   LYS  10           HZ2      LYS  10  15.916  -5.222  -5.845
   95   2HZ   LYS  10           HZ1      LYS  10  15.926  -6.919  -5.815
   96   3HZ   LYS  10           HZ3      LYS  10  14.815  -6.094  -6.800
   97    H    THR  11           HN       THR  11  14.862  -2.322   0.683
   98    HA   THR  11           HA       THR  11  16.572  -3.537   2.766
   99    HB   THR  11           HB       THR  11  16.884  -0.997   3.332
  100    HG1  THR  11           HG1      THR  11  15.099  -0.271   2.206
  101   1HG2  THR  11          HG23      THR  11  17.742  -2.385   0.796
  102   2HG2  THR  11          HG22      THR  11  18.129  -0.681   1.018
  103   3HG2  THR  11          HG21      THR  11  18.740  -1.878   2.157
  104    H    LEU  12           HN       LEU  12  13.366  -3.032   2.378
  105    HA   LEU  12           HA       LEU  12  12.919  -3.057   5.289
  106   1HB   LEU  12           HB2      LEU  12  13.044  -0.610   4.493
  107   2HB   LEU  12           HB1      LEU  12  11.511  -0.927   3.689
  108    HG   LEU  12           HG       LEU  12  10.926  -1.951   6.113
  109   1HD1  LEU  12          HD13      LEU  12  13.252  -1.329   6.916
  110   2HD1  LEU  12          HD12      LEU  12  12.798   0.360   6.718
  111   3HD1  LEU  12          HD11      LEU  12  11.945  -0.649   7.883
  112   1HD2  LEU  12          HD23      LEU  12  10.851   0.967   5.273
  113   2HD2  LEU  12          HD22      LEU  12   9.596  -0.241   5.010
  114   3HD2  LEU  12          HD21      LEU  12   9.952   0.318   6.642
  115    H    LYS  13           HN       LYS  13  10.941  -3.929   5.863
  116    HA   LYS  13           HA       LYS  13   8.960  -4.498   3.736
  117   1HB   LYS  13           HB2      LYS  13  10.236  -6.687   5.403
  118   2HB   LYS  13           HB1      LYS  13   8.924  -6.907   4.252
  119   1HG   LYS  13           HG2      LYS  13  10.474  -5.905   2.485
  120   2HG   LYS  13           HG1      LYS  13  11.771  -6.051   3.666
  121   1HD   LYS  13           HD2      LYS  13  11.254  -8.493   3.871
  122   2HD   LYS  13           HD1      LYS  13  10.054  -8.315   2.596
  123   1HE   LYS  13           HE2      LYS  13  12.116  -9.092   1.578
  124   2HE   LYS  13           HE1      LYS  13  11.873  -7.416   1.102
  125   1HZ   LYS  13           HZ2      LYS  13  13.286  -6.982   3.238
  126   2HZ   LYS  13           HZ1      LYS  13  13.841  -8.559   2.938
  127   3HZ   LYS  13           HZ3      LYS  13  14.031  -7.354   1.757
  128    H    GLY  14           HN       GLY  14   6.886  -4.586   4.535
  129   1HA   GLY  14           HA2      GLY  14   6.274  -5.228   7.285
  130   2HA   GLY  14           HA1      GLY  14   6.259  -3.485   7.039
  131    H    GLU  15           HN       GLU  15   4.007  -3.460   7.493
  132    HA   GLU  15           HA       GLU  15   2.314  -3.622   5.190
  133   1HB   GLU  15           HB2      GLU  15   0.835  -5.462   5.909
  134   2HB   GLU  15           HB1      GLU  15   2.467  -6.053   5.628
  135   1HG   GLU  15           HG2      GLU  15   2.838  -5.587   8.165
  136   2HG   GLU  15           HG1      GLU  15   1.079  -5.546   8.260
  137    H    THR  16           HN       THR  16   0.604  -2.295   5.524
  138    HA   THR  16           HA       THR  16  -0.409  -1.886   8.275
  139    HB   THR  16           HB       THR  16   1.323  -0.160   8.176
  140    HG1  THR  16           HG1      THR  16  -1.295   0.756   7.525
  141   1HG2  THR  16          HG23      THR  16   0.932  -0.166   5.438
  142   2HG2  THR  16          HG22      THR  16   0.057   1.282   5.922
  143   3HG2  THR  16          HG21      THR  16   1.765   1.116   6.308
  144    H    THR  17           HN       THR  17  -2.491  -0.957   8.344
  145    HA   THR  17           HA       THR  17  -3.929  -1.118   5.740
  146    HB   THR  17           HB       THR  17  -5.873  -1.746   6.965
  147    HG1  THR  17           HG1      THR  17  -5.848  -1.256   9.260
  148   1HG2  THR  17          HG21      THR  17  -3.864  -3.380   7.315
  149   2HG2  THR  17          HG23      THR  17  -3.727  -2.641   8.908
  150   3HG2  THR  17          HG22      THR  17  -5.202  -3.493   8.456
  151    H    THR  18           HN       THR  18  -5.235   0.517   5.017
  152    HA   THR  18           HA       THR  18  -5.261   3.044   6.617
  153    HB   THR  18           HB       THR  18  -3.526   2.955   4.629
  154    HG1  THR  18           HG1      THR  18  -5.370   4.774   5.565
  155   1HG2  THR  18          HG22      THR  18  -5.561   2.172   3.082
  156   2HG2  THR  18          HG21      THR  18  -5.934   3.891   3.088
  157   3HG2  THR  18          HG23      THR  18  -4.384   3.331   2.470
  158    H    GLU  19           HN       GLU  19  -7.079   4.331   6.352
  159    HA   GLU  19           HA       GLU  19  -9.450   2.914   5.346
  160   1HB   GLU  19           HB2      GLU  19  -9.205   4.409   7.501
  161   2HB   GLU  19           HB1      GLU  19  -9.506   5.731   6.380
  162   1HG   GLU  19           HG2      GLU  19 -11.290   3.296   6.747
  163   2HG   GLU  19           HG1      GLU  19 -11.626   4.912   7.364
  164    H    ALA  20           HN       ALA  20 -10.150   3.127   3.324
  165    HA   ALA  20           HA       ALA  20  -9.812   5.746   1.946
  166   1HB   ALA  20           HB2      ALA  20  -8.614   3.150   1.184
  167   2HB   ALA  20           HB1      ALA  20  -9.381   4.043  -0.126
  168   3HB   ALA  20           HB3      ALA  20  -8.084   4.783   0.806
  169    H    VAL  21           HN       VAL  21 -11.611   6.357   0.900
  170    HA   VAL  21           HA       VAL  21 -13.971   4.657   1.001
  171    HB   VAL  21           HB       VAL  21 -14.207   7.065   1.281
  172   1HG1  VAL  21          HG13      VAL  21 -12.253   7.709  -0.118
  173   2HG1  VAL  21          HG12      VAL  21 -13.145   7.240  -1.562
  174   3HG1  VAL  21          HG11      VAL  21 -13.700   8.597  -0.586
  175   1HG2  VAL  21          HG23      VAL  21 -15.956   5.634   0.004
  176   2HG2  VAL  21          HG22      VAL  21 -16.073   7.384  -0.152
  177   3HG2  VAL  21          HG21      VAL  21 -15.351   6.431  -1.445
  178    H    ASP  22           HN       ASP  22 -11.414   5.017  -1.191
  179    HA   ASP  22           HA       ASP  22 -12.798   3.267  -3.114
  180   1HB   ASP  22           HB2      ASP  22 -12.787   4.699  -4.948
  181   2HB   ASP  22           HB1      ASP  22 -13.173   5.822  -3.647
  182    H    ALA  23           HN       ALA  23 -11.228   2.793  -5.010
  183    HA   ALA  23           HA       ALA  23  -8.729   1.890  -3.805
  184   1HB   ALA  23           HB3      ALA  23 -10.106   1.540  -6.430
  185   2HB   ALA  23           HB2      ALA  23  -8.372   1.239  -6.362
  186   3HB   ALA  23           HB1      ALA  23  -9.466   0.323  -5.331
  187    H    ALA  24           HN       ALA  24  -9.723   4.451  -5.973
  188    HA   ALA  24           HA       ALA  24  -7.137   5.150  -6.972
  189   1HB   ALA  24           HB1      ALA  24  -9.599   6.009  -7.561
  190   2HB   ALA  24           HB3      ALA  24  -9.132   7.307  -6.466
  191   3HB   ALA  24           HB2      ALA  24  -8.174   6.984  -7.907
  192    H    THR  25           HN       THR  25  -8.993   6.539  -4.262
  193    HA   THR  25           HA       THR  25  -6.863   8.252  -3.389
  194    HB   THR  25           HB       THR  25  -9.333   8.444  -2.696
  195    HG1  THR  25           HG1      THR  25  -7.928   9.685  -1.590
  196   1HG2  THR  25          HG22      THR  25  -9.083   5.871  -1.809
  197   2HG2  THR  25          HG21      THR  25  -8.639   6.747  -0.347
  198   3HG2  THR  25          HG23      THR  25 -10.211   7.017  -1.094
  199    H    ALA  26           HN       ALA  26  -7.593   4.891  -2.845
  200    HA   ALA  26           HA       ALA  26  -5.901   4.518  -0.547
  201   1HB   ALA  26           HB3      ALA  26  -7.635   2.879  -1.288
  202   2HB   ALA  26           HB2      ALA  26  -6.628   2.490  -2.677
  203   3HB   ALA  26           HB1      ALA  26  -6.056   2.136  -1.049
  204    H    GLU  27           HN       GLU  27  -5.355   4.475  -4.009
  205    HA   GLU  27           HA       GLU  27  -2.702   3.400  -3.969
  206   1HB   GLU  27           HB2      GLU  27  -4.334   5.001  -5.893
  207   2HB   GLU  27           HB1      GLU  27  -2.599   4.931  -6.158
  208   1HG   GLU  27           HG2      GLU  27  -2.714   2.434  -6.081
  209   2HG   GLU  27           HG1      GLU  27  -4.462   2.549  -5.905
  210    H    LYS  28           HN       LYS  28  -3.936   6.709  -3.785
  211    HA   LYS  28           HA       LYS  28  -1.253   7.849  -3.658
  212   1HB   LYS  28           HB2      LYS  28  -2.343   9.752  -4.188
  213   2HB   LYS  28           HB1      LYS  28  -3.829   8.816  -4.221
  214   1HG   LYS  28           HG2      LYS  28  -4.125   9.262  -1.764
  215   2HG   LYS  28           HG1      LYS  28  -2.682  10.276  -1.801
  216   1HD   LYS  28           HD2      LYS  28  -3.815  12.010  -2.703
  217   2HD   LYS  28           HD1      LYS  28  -4.567  10.988  -3.921
  218   1HE   LYS  28           HE2      LYS  28  -6.268  10.263  -2.338
  219   2HE   LYS  28           HE1      LYS  28  -5.461  11.107  -1.024
  220   1HZ   LYS  28           HZ1      LYS  28  -6.110  12.748  -3.311
  221   2HZ   LYS  28           HZ3      LYS  28  -7.452  12.132  -2.471
  222   3HZ   LYS  28           HZ2      LYS  28  -6.293  13.066  -1.653
  223    H    VAL  29           HN       VAL  29  -3.770   6.997  -1.354
  224    HA   VAL  29           HA       VAL  29  -2.663   8.291   0.934
  225    HB   VAL  29           HB       VAL  29  -4.363   5.816   0.632
  226   1HG1  VAL  29          HG13      VAL  29  -3.207   7.123   3.095
  227   2HG1  VAL  29          HG12      VAL  29  -4.744   6.266   3.169
  228   3HG1  VAL  29          HG11      VAL  29  -3.281   5.409   2.695
  229   1HG2  VAL  29          HG21      VAL  29  -5.086   8.339   0.210
  230   2HG2  VAL  29          HG23      VAL  29  -6.156   7.238   1.073
  231   3HG2  VAL  29          HG22      VAL  29  -5.160   8.381   1.970
  232    H    PHE  30           HN       PHE  30  -2.412   4.846   0.040
  233    HA   PHE  30           HA       PHE  30  -0.409   4.230   1.964
  234   1HB   PHE  30           HB2      PHE  30  -1.286   2.957  -0.616
  235   2HB   PHE  30           HB1      PHE  30   0.141   2.348   0.210
  236    HD1  PHE  30           HD1      PHE  30  -0.301   2.160   2.941
  237    HD2  PHE  30           HD2      PHE  30  -3.259   1.807  -0.112
  238    HE1  PHE  30           HE1      PHE  30  -1.756   0.918   4.481
  239    HE2  PHE  30           HE2      PHE  30  -4.681   0.532   1.429
  240    HZ   PHE  30           HZ       PHE  30  -3.927   0.068   3.717
  241    H    LYS  31           HN       LYS  31  -0.165   5.384  -1.366
  242    HA   LYS  31           HA       LYS  31   2.667   5.114  -1.631
  243   1HB   LYS  31           HB2      LYS  31   1.171   5.590  -3.537
  244   2HB   LYS  31           HB1      LYS  31   0.844   7.187  -2.872
  245   1HG   LYS  31           HG2      LYS  31   3.092   7.905  -3.200
  246   2HG   LYS  31           HG1      LYS  31   3.663   6.258  -3.448
  247   1HD   LYS  31           HD2      LYS  31   2.761   6.128  -5.605
  248   2HD   LYS  31           HD1      LYS  31   1.570   7.386  -5.291
  249   1HE   LYS  31           HE2      LYS  31   3.092   9.104  -5.632
  250   2HE   LYS  31           HE1      LYS  31   4.466   8.128  -5.128
  251   1HZ   LYS  31           HZ3      LYS  31   3.592   6.838  -7.331
  252   2HZ   LYS  31           HZ2      LYS  31   3.314   8.464  -7.736
  253   3HZ   LYS  31           HZ1      LYS  31   4.872   7.953  -7.292
  254    H    GLN  32           HN       GLN  32   0.664   7.541  -0.109
  255    HA   GLN  32           HA       GLN  32   2.728   9.519   0.235
  256   1HB   GLN  32           HB2      GLN  32   0.228   9.885   0.506
  257   2HB   GLN  32           HB1      GLN  32   0.352   9.059   2.055
  258   1HG   GLN  32           HG2      GLN  32   0.778  11.162   2.858
  259   2HG   GLN  32           HG1      GLN  32   2.409  10.853   2.268
  260   1HE2  GLN  32          HE22      GLN  32   0.792  14.031   0.800
  261   2HE2  GLN  32          HE21      GLN  32   0.726  13.421   2.382
  262    OH   TYR  33           OH       TYR  33   5.336   2.683   8.193
  263    H    TYR  33           HN       TYR  33   1.813   6.626   1.932
  264    HA   TYR  33           HA       TYR  33   3.366   7.170   4.323
  265   1HB   TYR  33           HB2      TYR  33   1.502   5.570   4.370
  266   2HB   TYR  33           HB1      TYR  33   2.331   4.557   3.191
  267    HD1  TYR  33           HD1      TYR  33   4.526   3.488   3.815
  268    HD2  TYR  33           HD2      TYR  33   2.113   5.485   6.692
  269    HE1  TYR  33           HE1      TYR  33   5.762   2.383   5.616
  270    HE2  TYR  33           HE2      TYR  33   3.349   4.376   8.496
  271    HH   TYR  33           HH       TYR  33   5.247   1.734   8.077
  272    H    ALA  34           HN       ALA  34   3.840   4.842   1.682
  273    HA   ALA  34           HA       ALA  34   6.441   4.022   2.311
  274   1HB   ALA  34           HB3      ALA  34   4.697   3.838   0.062
  275   2HB   ALA  34           HB2      ALA  34   6.284   4.319  -0.529
  276   3HB   ALA  34           HB1      ALA  34   6.108   2.847   0.422
  277    H    ASN  35           HN       ASN  35   5.360   6.990   0.820
  278    HA   ASN  35           HA       ASN  35   7.822   7.921  -0.237
  279   1HB   ASN  35           HB2      ASN  35   5.852   9.150  -0.779
  280   2HB   ASN  35           HB1      ASN  35   5.443   9.379   0.919
  281   1HD2  ASN  35          HD22      ASN  35   7.766  12.084  -0.896
  282   2HD2  ASN  35          HD21      ASN  35   6.888  10.893  -1.728
  283    H    ASP  36           HN       ASP  36   6.551   7.959   3.037
  284    HA   ASP  36           HA       ASP  36   8.684   9.645   4.082
  285   1HB   ASP  36           HB2      ASP  36   6.408   8.091   5.221
  286   2HB   ASP  36           HB1      ASP  36   7.740   8.490   6.302
  287    H    ASN  37           HN       ASN  37   9.174   6.973   2.626
  288    HA   ASN  37           HA       ASN  37  11.235   6.023   4.554
  289   1HB   ASN  37           HB2      ASN  37   9.131   4.343   3.195
  290   2HB   ASN  37           HB1      ASN  37  10.647   3.644   3.756
  291   1HD2  ASN  37          HD22      ASN  37   8.109   5.220   6.596
  292   2HD2  ASN  37          HD21      ASN  37   8.155   5.921   5.050
  293    H    GLY  38           HN       GLY  38   9.997   6.102   1.267
  294   1HA   GLY  38           HA2      GLY  38  11.561   6.747  -0.543
  295   2HA   GLY  38           HA1      GLY  38  12.810   5.819   0.279
  296    H    VAL  39           HN       VAL  39   9.887   4.205   0.463
  297    HA   VAL  39           HA       VAL  39  10.804   2.226  -1.508
  298    HB   VAL  39           HB       VAL  39   8.373   2.253   0.297
  299   1HG1  VAL  39          HG13      VAL  39   9.445   0.317  -1.728
  300   2HG1  VAL  39          HG12      VAL  39   8.702  -0.327  -0.268
  301   3HG1  VAL  39          HG11      VAL  39   7.773   0.712  -1.344
  302   1HG2  VAL  39          HG21      VAL  39  10.842   2.141   1.214
  303   2HG2  VAL  39          HG23      VAL  39   9.642   1.006   1.824
  304   3HG2  VAL  39          HG22      VAL  39  10.795   0.493   0.595
  305    H    ASP  40           HN       ASP  40  10.469   2.997  -3.560
  306    HA   ASP  40           HA       ASP  40   7.632   3.300  -4.371
  307   1HB   ASP  40           HB2      ASP  40   9.692   5.434  -4.428
  308   2HB   ASP  40           HB1      ASP  40   8.697   5.279  -5.874
  309    H    GLY  41           HN       GLY  41   7.264   2.134  -6.142
  310   1HA   GLY  41           HA2      GLY  41   9.009   2.072  -8.422
  311   2HA   GLY  41           HA1      GLY  41   9.222   0.603  -7.475
  312    H    GLU  42           HN       GLU  42   7.617  -0.939  -7.465
  313    HA   GLU  42           HA       GLU  42   5.451  -0.537  -9.479
  314   1HB   GLU  42           HB2      GLU  42   6.513  -3.075  -8.231
  315   2HB   GLU  42           HB1      GLU  42   5.301  -2.993  -9.501
  316   1HG   GLU  42           HG2      GLU  42   7.747  -1.468 -10.113
  317   2HG   GLU  42           HG1      GLU  42   8.023  -3.199  -9.935
  318    CH2  TRP  43           CH2      TRP  43   2.084   2.534  -2.226
  319    H    TRP  43           HN       TRP  43   3.306  -0.933  -8.949
  320    HA   TRP  43           HA       TRP  43   2.730  -1.369  -6.040
  321   1HB   TRP  43           HB2      TRP  43   1.680   0.704  -7.941
  322   2HB   TRP  43           HB1      TRP  43   0.714   0.199  -6.566
  323    HD1  TRP  43           HD1      TRP  43   4.287   1.463  -7.335
  324    HE1  TRP  43           HE1      TRP  43   5.018   2.809  -5.309
  325    HE3  TRP  43           HE3      TRP  43   0.345   0.670  -4.407
  326    HZ2  TRP  43           HZ2      TRP  43   3.991   3.418  -2.593
  327    HZ3  TRP  43           HZ3      TRP  43   0.198   1.549  -2.132
  328    HH2  TRP  43           HH2      TRP  43   2.019   2.914  -1.217
  329    H    THR  44           HN       THR  44   1.241  -2.871  -5.603
  330    HA   THR  44           HA       THR  44  -0.429  -3.906  -7.868
  331    HB   THR  44           HB       THR  44  -0.218  -6.160  -6.536
  332    HG1  THR  44           HG1      THR  44   1.295  -4.326  -5.205
  333   1HG2  THR  44          HG23      THR  44   1.810  -4.794  -8.254
  334   2HG2  THR  44          HG22      THR  44   2.377  -6.192  -7.345
  335   3HG2  THR  44          HG21      THR  44   1.043  -6.363  -8.480
  336    OH   TYR  45           OH       TYR  45  -8.975  -1.323  -3.093
  337    H    TYR  45           HN       TYR  45  -2.511  -4.542  -7.411
  338    HA   TYR  45           HA       TYR  45  -3.578  -3.778  -4.709
  339   1HB   TYR  45           HB2      TYR  45  -4.180  -2.345  -6.783
  340   2HB   TYR  45           HB1      TYR  45  -5.155  -3.721  -7.297
  341    HD1  TYR  45           HD1      TYR  45  -6.644  -4.668  -5.020
  342    HD2  TYR  45           HD2      TYR  45  -5.463  -0.673  -5.851
  343    HE1  TYR  45           HE1      TYR  45  -8.405  -3.842  -3.549
  344    HE2  TYR  45           HE2      TYR  45  -7.278   0.152  -4.438
  345    HH   TYR  45           HH       TYR  45  -9.730  -1.124  -3.653
  346    H    ASP  46           HN       ASP  46  -4.597  -5.377  -3.633
  347    HA   ASP  46           HA       ASP  46  -5.262  -7.879  -5.138
  348   1HB   ASP  46           HB2      ASP  46  -3.556  -7.732  -3.099
  349   2HB   ASP  46           HB1      ASP  46  -5.039  -7.855  -2.164
  350    H    ASP  47           HN       ASP  47  -7.360  -7.334  -5.745
  351    HA   ASP  47           HA       ASP  47  -9.282  -6.373  -3.753
  352   1HB   ASP  47           HB2      ASP  47  -9.498  -5.659  -6.086
  353   2HB   ASP  47           HB1      ASP  47  -9.673  -7.334  -6.600
  354    H    ALA  48           HN       ALA  48  -7.932  -9.315  -4.358
  355    HA   ALA  48           HA       ALA  48 -10.313 -10.980  -4.081
  356   1HB   ALA  48           HB3      ALA  48  -8.259 -11.758  -5.255
  357   2HB   ALA  48           HB2      ALA  48  -7.397 -11.719  -3.719
  358   3HB   ALA  48           HB1      ALA  48  -8.735 -12.841  -3.951
  359    H    THR  49           HN       THR  49  -8.170  -9.341  -1.950
  360    HA   THR  49           HA       THR  49  -9.672 -10.435   0.359
  361    HB   THR  49           HB       THR  49  -7.558 -10.947   1.602
  362    HG1  THR  49           HG1      THR  49  -6.435  -9.357   0.224
  363   1HG2  THR  49          HG23      THR  49  -8.625 -12.704   0.008
  364   2HG2  THR  49          HG22      THR  49  -7.373 -12.234  -1.138
  365   3HG2  THR  49          HG21      THR  49  -6.928 -12.938   0.413
  366    H    LYS  50           HN       LYS  50  -9.080  -7.822  -1.185
  367    HA   LYS  50           HA       LYS  50  -8.779  -5.560  -0.639
  368   1HB   LYS  50           HB2      LYS  50  -9.805  -6.669   1.983
  369   2HB   LYS  50           HB1      LYS  50  -9.599  -4.948   1.675
  370   1HG   LYS  50           HG2      LYS  50 -11.110  -5.140  -0.295
  371   2HG   LYS  50           HG1      LYS  50 -11.349  -6.845   0.071
  372   1HD   LYS  50           HD2      LYS  50 -12.475  -6.363   2.109
  373   2HD   LYS  50           HD1      LYS  50 -11.889  -4.704   2.137
  374   1HE   LYS  50           HE2      LYS  50 -13.508  -3.972   0.693
  375   2HE   LYS  50           HE1      LYS  50 -13.454  -5.443  -0.270
  376   1HZ   LYS  50           HZ3      LYS  50 -14.598  -5.467   2.445
  377   2HZ   LYS  50           HZ2      LYS  50 -15.529  -4.961   1.117
  378   3HZ   LYS  50           HZ1      LYS  50 -14.886  -6.533   1.153
  379    H    THR  51           HN       THR  51  -6.443  -6.568  -0.834
  380    HA   THR  51           HA       THR  51  -4.926  -5.569   1.542
  381    HB   THR  51           HB       THR  51  -4.495  -8.210   0.060
  382    HG1  THR  51           HG1      THR  51  -4.661  -8.745   2.422
  383   1HG2  THR  51          HG23      THR  51  -2.391  -6.708   1.036
  384   2HG2  THR  51          HG22      THR  51  -2.902  -7.567   2.478
  385   3HG2  THR  51          HG21      THR  51  -2.426  -8.459   1.043
  386    H    PHE  52           HN       PHE  52  -3.735  -3.878   0.790
  387    HA   PHE  52           HA       PHE  52  -3.092  -3.638  -2.045
  388   1HB   PHE  52           HB2      PHE  52  -3.084  -1.928   0.283
  389   2HB   PHE  52           HB1      PHE  52  -1.572  -1.781  -0.603
  390    HD1  PHE  52           HD1      PHE  52  -1.601  -1.089  -3.017
  391    HD2  PHE  52           HD2      PHE  52  -5.156  -1.233  -0.716
  392    HE1  PHE  52           HE1      PHE  52  -2.780   0.232  -4.730
  393    HE2  PHE  52           HE2      PHE  52  -6.286   0.194  -2.335
  394    HZ   PHE  52           HZ       PHE  52  -5.087   0.972  -4.318
  395    H    THR  53           HN       THR  53  -0.761  -3.260  -2.699
  396    HA   THR  53           HA       THR  53   1.280  -4.384  -0.935
  397    HB   THR  53           HB       THR  53   0.388  -5.915  -3.404
  398    HG1  THR  53           HG1      THR  53  -0.732  -6.181  -1.390
  399   1HG2  THR  53          HG22      THR  53   2.880  -5.991  -1.717
  400   2HG2  THR  53          HG21      THR  53   2.192  -7.516  -2.264
  401   3HG2  THR  53          HG23      THR  53   2.710  -6.312  -3.439
  402    H    VAL  54           HN       VAL  54   3.320  -3.795  -1.544
  403    HA   VAL  54           HA       VAL  54   3.701  -2.631  -4.249
  404    HB   VAL  54           HB       VAL  54   3.043  -0.791  -2.616
  405   1HG1  VAL  54          HG11      VAL  54   4.344  -1.916  -0.727
  406   2HG1  VAL  54          HG13      VAL  54   5.801  -1.266  -1.470
  407   3HG1  VAL  54          HG12      VAL  54   4.551  -0.179  -0.876
  408   1HG2  VAL  54          HG22      VAL  54   5.756  -0.803  -3.960
  409   2HG2  VAL  54          HG21      VAL  54   4.254  -0.128  -4.565
  410   3HG2  VAL  54          HG23      VAL  54   5.079   0.642  -3.222
  411    H    THR  55           HN       THR  55   5.883  -2.666  -4.909
  412    HA   THR  55           HA       THR  55   7.839  -3.881  -3.020
  413    HB   THR  55           HB       THR  55   7.215  -5.071  -5.756
  414    HG1  THR  55           HG1      THR  55   6.173  -5.292  -3.299
  415   1HG2  THR  55          HG23      THR  55   9.407  -5.411  -3.779
  416   2HG2  THR  55          HG22      THR  55   8.613  -6.908  -4.262
  417   3HG2  THR  55          HG21      THR  55   9.358  -5.875  -5.474
  418    H    GLU  56           HN       GLU  56   9.565  -2.585  -3.089
  419    HA   GLU  56           HA       GLU  56  10.076  -0.656  -5.115
  420   1HB   GLU  56           HB2      GLU  56  11.146  -1.243  -2.643
  421   2HB   GLU  56           HB1      GLU  56  12.475  -1.623  -3.732
  422   1HG   GLU  56           HG2      GLU  56  12.020   0.636  -4.849
  423   2HG   GLU  56           HG1      GLU  56  10.972   0.995  -3.482
   
  Start of MODEL          54
 Raw file had 423 H/Q atoms
  Entry Start of MODEL   54
    1   1H    MET   1           HT2      MET   1 -13.594   1.474   4.780
    2   2H    MET   1           HT1      MET   1 -13.654   2.243   3.267
    3   3H    MET   1           HT3      MET   1 -14.879   1.157   3.716
    4    HA   MET   1           HA       MET   1 -13.476  -0.695   3.548
    5   1HB   MET   1           HB2      MET   1 -13.964   0.967   1.361
    6   2HB   MET   1           HB1      MET   1 -12.254   0.573   1.231
    7   1HG   MET   1           HG2      MET   1 -13.428  -1.149   0.082
    8   2HG   MET   1           HG1      MET   1 -12.853  -1.834   1.578
    9   1HE   MET   1           HE2      MET   1 -14.957  -2.912  -0.560
   10   2HE   MET   1           HE1      MET   1 -14.381  -3.872   0.803
   11   3HE   MET   1           HE3      MET   1 -16.111  -3.724   0.498
   12    H    THR   2           HN       THR   2 -11.799  -1.172   4.833
   13    HA   THR   2           HA       THR   2  -9.313   0.474   4.617
   14    HB   THR   2           HB       THR   2  -9.696  -1.588   6.776
   15    HG1  THR   2           HG1      THR   2 -11.010  -0.089   7.825
   16   1HG2  THR   2          HG21      THR   2  -7.721   0.209   6.366
   17   2HG2  THR   2          HG23      THR   2  -8.872   1.262   7.183
   18   3HG2  THR   2          HG22      THR   2  -8.278  -0.187   7.988
   19    OH   TYR   3           OH       TYR   3 -11.410   0.491  -0.964
   20    H    TYR   3           HN       TYR   3  -7.818  -0.356   3.291
   21    HA   TYR   3           HA       TYR   3  -7.768  -3.304   2.856
   22   1HB   TYR   3           HB2      TYR   3  -6.040  -1.325   1.382
   23   2HB   TYR   3           HB1      TYR   3  -6.624  -2.895   0.840
   24    HD1  TYR   3           HD1      TYR   3  -7.767   0.546   1.724
   25    HD2  TYR   3           HD2      TYR   3  -8.689  -3.065  -0.317
   26    HE1  TYR   3           HE1      TYR   3  -9.723   1.619   0.707
   27    HE2  TYR   3           HE2      TYR   3 -10.642  -1.996  -1.336
   28    HH   TYR   3           HH       TYR   3 -11.130   1.340  -1.316
   29    H    LYS   4           HN       LYS   4  -5.449  -4.190   2.556
   30    HA   LYS   4           HA       LYS   4  -3.763  -3.163   4.809
   31   1HB   LYS   4           HB2      LYS   4  -4.984  -5.476   4.962
   32   2HB   LYS   4           HB1      LYS   4  -3.712  -6.019   3.884
   33   1HG   LYS   4           HG2      LYS   4  -2.257  -4.627   5.761
   34   2HG   LYS   4           HG1      LYS   4  -3.560  -5.282   6.746
   35   1HD   LYS   4           HD2      LYS   4  -1.812  -6.917   4.871
   36   2HD   LYS   4           HD1      LYS   4  -1.610  -6.828   6.615
   37   1HE   LYS   4           HE2      LYS   4  -3.161  -8.439   6.882
   38   2HE   LYS   4           HE1      LYS   4  -4.359  -7.421   6.094
   39   1HZ   LYS   4           HZ2      LYS   4  -2.410  -9.035   4.567
   40   2HZ   LYS   4           HZ1      LYS   4  -3.915  -9.652   5.055
   41   3HZ   LYS   4           HZ3      LYS   4  -3.844  -8.314   4.010
   42    H    LEU   5           HN       LEU   5  -1.940  -2.290   4.079
   43    HA   LEU   5           HA       LEU   5  -0.943  -2.931   1.406
   44   1HB   LEU   5           HB2      LEU   5  -0.787  -0.628   2.126
   45   2HB   LEU   5           HB1      LEU   5   0.025  -1.085   3.615
   46    HG   LEU   5           HG       LEU   5   1.987  -1.896   2.208
   47   1HD1  LEU   5          HD13      LEU   5   0.383  -0.550   0.012
   48   2HD1  LEU   5          HD12      LEU   5   2.068  -1.032  -0.136
   49   3HD1  LEU   5          HD11      LEU   5   0.823  -2.254   0.077
   50   1HD2  LEU   5          HD22      LEU   5   1.799   0.401   3.265
   51   2HD2  LEU   5          HD21      LEU   5   2.876   0.305   1.875
   52   3HD2  LEU   5          HD23      LEU   5   1.265   0.992   1.695
   53    H    ILE   6           HN       ILE   6   1.109  -3.811   0.961
   54    HA   ILE   6           HA       ILE   6   2.489  -5.180   3.179
   55    HB   ILE   6           HB       ILE   6   1.543  -6.341   0.572
   56   1HG1  ILE   6          HG12      ILE   6   1.568  -7.376   3.432
   57   2HG1  ILE   6          HG11      ILE   6   0.203  -6.554   2.698
   58   1HG2  ILE   6          HG21      ILE   6   3.935  -7.134   2.248
   59   2HG2  ILE   6          HG23      ILE   6   3.081  -8.325   1.278
   60   3HG2  ILE   6          HG22      ILE   6   3.843  -6.948   0.501
   61   1HD1  ILE   6           HD2      ILE   6   0.639  -8.465   0.817
   62   2HD1  ILE   6           HD1      ILE   6   1.207  -9.318   2.249
   63   3HD1  ILE   6           HD3      ILE   6  -0.437  -8.699   2.189
   64    H    LEU   7           HN       LEU   7   4.292  -3.961   3.269
   65    HA   LEU   7           HA       LEU   7   5.535  -2.893   0.857
   66   1HB   LEU   7           HB2      LEU   7   6.339  -2.868   3.763
   67   2HB   LEU   7           HB1      LEU   7   7.299  -2.113   2.497
   68    HG   LEU   7           HG       LEU   7   4.445  -1.412   2.368
   69   1HD1  LEU   7          HD13      LEU   7   6.115  -0.554   4.759
   70   2HD1  LEU   7          HD12      LEU   7   4.537   0.100   4.333
   71   3HD1  LEU   7          HD11      LEU   7   4.687  -1.584   4.825
   72   1HD2  LEU   7          HD23      LEU   7   6.259  -0.317   1.066
   73   2HD2  LEU   7          HD22      LEU   7   5.419   0.838   2.096
   74   3HD2  LEU   7          HD21      LEU   7   6.998   0.223   2.570
   75    H    ASN   8           HN       ASN   8   6.714  -4.107  -0.449
   76    HA   ASN   8           HA       ASN   8   8.299  -6.345   0.720
   77   1HB   ASN   8           HB2      ASN   8   6.732  -5.985  -1.702
   78   2HB   ASN   8           HB1      ASN   8   8.353  -6.526  -2.078
   79   1HD2  ASN   8          HD22      ASN   8   5.803  -9.237  -0.953
   80   2HD2  ASN   8          HD21      ASN   8   5.465  -7.793  -1.765
   81    H    GLY   9           HN       GLY   9   9.139  -3.652   0.974
   82   1HA   GLY   9           HA2      GLY   9  10.945  -2.799  -1.037
   83   2HA   GLY   9           HA1      GLY   9  11.063  -2.342   0.652
   84    H    LYS  10           HN       LYS  10  13.030  -3.247  -1.490
   85    HA   LYS  10           HA       LYS  10  14.082  -5.799  -0.677
   86   1HB   LYS  10           HB2      LYS  10  14.631  -4.634  -2.836
   87   2HB   LYS  10           HB1      LYS  10  15.604  -3.492  -1.916
   88   1HG   LYS  10           HG2      LYS  10  17.328  -4.947  -2.025
   89   2HG   LYS  10           HG1      LYS  10  16.397  -6.061  -1.033
   90   1HD   LYS  10           HD2      LYS  10  16.974  -7.244  -3.052
   91   2HD   LYS  10           HD1      LYS  10  15.262  -6.853  -3.169
   92   1HE   LYS  10           HE2      LYS  10  16.524  -4.603  -4.229
   93   2HE   LYS  10           HE1      LYS  10  17.491  -5.943  -4.832
   94   1HZ   LYS  10           HZ3      LYS  10  14.840  -6.699  -5.084
   95   2HZ   LYS  10           HZ2      LYS  10  14.934  -5.101  -5.653
   96   3HZ   LYS  10           HZ1      LYS  10  15.930  -6.301  -6.325
   97    H    THR  11           HN       THR  11  14.517  -2.526   0.437
   98    HA   THR  11           HA       THR  11  16.457  -3.489   2.493
   99    HB   THR  11           HB       THR  11  16.727  -0.818   2.657
  100    HG1  THR  11           HG1      THR  11  16.292  -1.035  -0.061
  101   1HG2  THR  11          HG21      THR  11  18.509  -2.455   1.872
  102   2HG2  THR  11          HG23      THR  11  17.790  -2.367   0.267
  103   3HG2  THR  11          HG22      THR  11  18.512  -0.932   0.988
  104    H    LEU  12           HN       LEU  12  13.242  -2.796   2.096
  105    HA   LEU  12           HA       LEU  12  12.907  -2.496   5.006
  106   1HB   LEU  12           HB2      LEU  12  13.162  -0.175   4.438
  107   2HB   LEU  12           HB1      LEU  12  12.079  -0.330   3.064
  108    HG   LEU  12           HG       LEU  12  10.164  -0.660   4.507
  109   1HD1  LEU  12          HD13      LEU  12  12.275  -0.950   6.653
  110   2HD1  LEU  12          HD12      LEU  12  10.611  -0.543   7.062
  111   3HD1  LEU  12          HD11      LEU  12  10.970  -2.062   6.249
  112   1HD2  LEU  12          HD23      LEU  12  11.091   1.684   4.233
  113   2HD2  LEU  12          HD22      LEU  12  10.113   1.452   5.678
  114   3HD2  LEU  12          HD21      LEU  12  11.869   1.487   5.800
  115    H    LYS  13           HN       LYS  13  11.561  -4.172   5.291
  116    HA   LYS  13           HA       LYS  13   9.174  -4.401   3.498
  117   1HB   LYS  13           HB2      LYS  13  10.595  -6.459   5.198
  118   2HB   LYS  13           HB1      LYS  13   9.063  -6.757   4.390
  119   1HG   LYS  13           HG2      LYS  13  10.136  -6.159   2.212
  120   2HG   LYS  13           HG1      LYS  13  11.673  -5.975   3.050
  121   1HD   LYS  13           HD2      LYS  13  11.706  -8.300   3.675
  122   2HD   LYS  13           HD1      LYS  13  10.039  -8.526   3.156
  123   1HE   LYS  13           HE2      LYS  13  11.621  -9.403   1.466
  124   2HE   LYS  13           HE1      LYS  13  10.692  -8.055   0.822
  125   1HZ   LYS  13           HZ2      LYS  13  12.988  -7.042   2.060
  126   2HZ   LYS  13           HZ1      LYS  13  13.461  -8.301   1.022
  127   3HZ   LYS  13           HZ3      LYS  13  12.565  -6.993   0.416
  128    H    GLY  14           HN       GLY  14   7.132  -4.431   4.393
  129   1HA   GLY  14           HA2      GLY  14   6.655  -4.742   7.226
  130   2HA   GLY  14           HA1      GLY  14   6.623  -3.041   6.774
  131    H    GLU  15           HN       GLU  15   4.377  -3.086   7.431
  132    HA   GLU  15           HA       GLU  15   2.568  -3.408   5.233
  133   1HB   GLU  15           HB2      GLU  15   1.283  -5.304   5.886
  134   2HB   GLU  15           HB1      GLU  15   2.954  -5.833   5.997
  135   1HG   GLU  15           HG2      GLU  15   1.123  -5.014   8.273
  136   2HG   GLU  15           HG1      GLU  15   1.897  -6.572   8.018
  137    H    THR  16           HN       THR  16   0.689  -2.284   5.619
  138    HA   THR  16           HA       THR  16  -0.157  -1.695   8.366
  139    HB   THR  16           HB       THR  16   1.713   0.000   7.821
  140    HG1  THR  16           HG1      THR  16  -0.245   0.136   9.260
  141   1HG2  THR  16          HG22      THR  16   0.460   0.329   5.424
  142   2HG2  THR  16          HG21      THR  16  -0.390   1.543   6.372
  143   3HG2  THR  16          HG23      THR  16   1.360   1.626   6.201
  144    H    THR  17           HN       THR  17  -2.268  -0.920   8.478
  145    HA   THR  17           HA       THR  17  -3.764  -1.105   5.908
  146    HB   THR  17           HB       THR  17  -5.654  -1.804   7.182
  147    HG1  THR  17           HG1      THR  17  -5.487  -1.354   9.530
  148   1HG2  THR  17          HG22      THR  17  -3.284  -3.149   7.656
  149   2HG2  THR  17          HG21      THR  17  -3.778  -2.710   9.286
  150   3HG2  THR  17          HG23      THR  17  -4.848  -3.669   8.270
  151    H    THR  18           HN       THR  18  -5.126   0.496   5.219
  152    HA   THR  18           HA       THR  18  -5.269   2.986   6.857
  153    HB   THR  18           HB       THR  18  -3.481   3.015   4.918
  154    HG1  THR  18           HG1      THR  18  -5.623   4.879   5.180
  155   1HG2  THR  18          HG23      THR  18  -5.415   2.173   3.292
  156   2HG2  THR  18          HG22      THR  18  -5.901   3.864   3.337
  157   3HG2  THR  18          HG21      THR  18  -4.303   3.422   2.745
  158    H    GLU  19           HN       GLU  19  -7.156   4.156   6.632
  159    HA   GLU  19           HA       GLU  19  -9.400   2.687   5.399
  160   1HB   GLU  19           HB2      GLU  19  -9.254   4.003   7.735
  161   2HB   GLU  19           HB1      GLU  19  -9.817   5.324   6.717
  162   1HG   GLU  19           HG2      GLU  19 -11.637   3.772   5.870
  163   2HG   GLU  19           HG1      GLU  19 -11.141   2.623   7.112
  164    H    ALA  20           HN       ALA  20 -10.251   3.199   3.482
  165    HA   ALA  20           HA       ALA  20  -9.891   5.961   2.426
  166   1HB   ALA  20           HB3      ALA  20  -8.604   3.555   1.425
  167   2HB   ALA  20           HB2      ALA  20  -9.615   4.301   0.190
  168   3HB   ALA  20           HB1      ALA  20  -8.336   5.233   0.965
  169    H    VAL  21           HN       VAL  21 -11.380   6.468   0.679
  170    HA   VAL  21           HA       VAL  21 -13.971   5.135   1.106
  171    HB   VAL  21           HB       VAL  21 -13.943   7.567   1.052
  172   1HG1  VAL  21          HG11      VAL  21 -12.838   7.223  -1.758
  173   2HG1  VAL  21          HG13      VAL  21 -13.292   8.757  -1.023
  174   3HG1  VAL  21          HG12      VAL  21 -11.941   7.834  -0.372
  175   1HG2  VAL  21          HG21      VAL  21 -15.729   6.008  -0.248
  176   2HG2  VAL  21          HG23      VAL  21 -15.869   7.763  -0.196
  177   3HG2  VAL  21          HG22      VAL  21 -15.160   6.977  -1.604
  178    H    ASP  22           HN       ASP  22 -11.433   5.154  -1.230
  179    HA   ASP  22           HA       ASP  22 -12.870   3.110  -2.785
  180   1HB   ASP  22           HB2      ASP  22 -12.751   4.272  -4.905
  181   2HB   ASP  22           HB1      ASP  22 -13.586   5.316  -3.758
  182    H    ALA  23           HN       ALA  23 -11.306   2.851  -4.950
  183    HA   ALA  23           HA       ALA  23  -8.804   1.879  -3.778
  184   1HB   ALA  23           HB1      ALA  23 -10.063   1.709  -6.509
  185   2HB   ALA  23           HB3      ALA  23  -8.410   1.171  -6.234
  186   3HB   ALA  23           HB2      ALA  23  -9.739   0.408  -5.369
  187    H    ALA  24           HN       ALA  24  -9.750   4.310  -6.175
  188    HA   ALA  24           HA       ALA  24  -7.218   5.116  -7.068
  189   1HB   ALA  24           HB1      ALA  24  -9.887   6.294  -6.940
  190   2HB   ALA  24           HB3      ALA  24  -8.614   7.505  -6.819
  191   3HB   ALA  24           HB2      ALA  24  -8.669   6.421  -8.206
  192    H    THR  25           HN       THR  25  -9.025   6.503  -4.335
  193    HA   THR  25           HA       THR  25  -6.885   8.172  -3.435
  194    HB   THR  25           HB       THR  25  -9.123   8.628  -2.591
  195    HG1  THR  25           HG1      THR  25  -8.584   8.340  -0.298
  196   1HG2  THR  25          HG21      THR  25  -9.244   5.776  -2.341
  197   2HG2  THR  25          HG23      THR  25  -9.413   6.457  -0.727
  198   3HG2  THR  25          HG22      THR  25 -10.526   6.931  -2.005
  199    H    ALA  26           HN       ALA  26  -7.750   4.830  -2.741
  200    HA   ALA  26           HA       ALA  26  -5.920   4.434  -0.574
  201   1HB   ALA  26           HB2      ALA  26  -7.778   2.873  -1.179
  202   2HB   ALA  26           HB1      ALA  26  -6.846   2.376  -2.587
  203   3HB   ALA  26           HB3      ALA  26  -6.231   2.059  -0.968
  204    H    GLU  27           HN       GLU  27  -5.536   4.285  -4.060
  205    HA   GLU  27           HA       GLU  27  -2.973   3.022  -4.115
  206   1HB   GLU  27           HB2      GLU  27  -4.396   4.888  -6.011
  207   2HB   GLU  27           HB1      GLU  27  -2.796   4.258  -6.360
  208   1HG   GLU  27           HG2      GLU  27  -3.705   1.930  -6.042
  209   2HG   GLU  27           HG1      GLU  27  -5.312   2.635  -5.879
  210    H    LYS  28           HN       LYS  28  -3.830   6.473  -4.326
  211    HA   LYS  28           HA       LYS  28  -1.055   7.311  -4.130
  212   1HB   LYS  28           HB2      LYS  28  -1.975   9.581  -4.033
  213   2HB   LYS  28           HB1      LYS  28  -2.754   8.653  -5.309
  214   1HG   LYS  28           HG2      LYS  28  -4.545   8.062  -3.552
  215   2HG   LYS  28           HG1      LYS  28  -3.847   9.348  -2.575
  216   1HD   LYS  28           HD2      LYS  28  -4.093  10.553  -5.055
  217   2HD   LYS  28           HD1      LYS  28  -5.526   9.534  -4.985
  218   1HE   LYS  28           HE2      LYS  28  -6.006  11.736  -4.002
  219   2HE   LYS  28           HE1      LYS  28  -6.080  10.492  -2.760
  220   1HZ   LYS  28           HZ1      LYS  28  -3.489  11.235  -2.706
  221   2HZ   LYS  28           HZ3      LYS  28  -4.272  12.707  -3.034
  222   3HZ   LYS  28           HZ2      LYS  28  -4.693  11.808  -1.655
  223    H    VAL  29           HN       VAL  29  -3.684   6.873  -1.836
  224    HA   VAL  29           HA       VAL  29  -2.587   8.368   0.329
  225    HB   VAL  29           HB       VAL  29  -4.366   5.939   0.246
  226   1HG1  VAL  29          HG12      VAL  29  -3.156   7.400   2.582
  227   2HG1  VAL  29          HG11      VAL  29  -4.764   6.695   2.729
  228   3HG1  VAL  29          HG13      VAL  29  -3.382   5.666   2.362
  229   1HG2  VAL  29          HG23      VAL  29  -4.911   8.519  -0.361
  230   2HG2  VAL  29          HG22      VAL  29  -6.097   7.451   0.382
  231   3HG2  VAL  29          HG21      VAL  29  -5.172   8.569   1.379
  232    H    PHE  30           HN       PHE  30  -2.456   4.829  -0.129
  233    HA   PHE  30           HA       PHE  30  -0.529   4.324   1.872
  234   1HB   PHE  30           HB2      PHE  30  -1.304   2.922  -0.665
  235   2HB   PHE  30           HB1      PHE  30   0.138   2.384   0.186
  236    HD1  PHE  30           HD1      PHE  30  -0.286   2.268   2.907
  237    HD2  PHE  30           HD2      PHE  30  -3.262   1.773  -0.106
  238    HE1  PHE  30           HE1      PHE  30  -1.699   1.031   4.495
  239    HE2  PHE  30           HE2      PHE  30  -4.649   0.524   1.483
  240    HZ   PHE  30           HZ       PHE  30  -3.863   0.118   3.773
  241    H    LYS  31           HN       LYS  31  -0.141   5.341  -1.472
  242    HA   LYS  31           HA       LYS  31   2.693   5.098  -1.641
  243   1HB   LYS  31           HB2      LYS  31   1.099   5.578  -3.550
  244   2HB   LYS  31           HB1      LYS  31   1.010   7.237  -2.966
  245   1HG   LYS  31           HG2      LYS  31   3.553   7.309  -3.119
  246   2HG   LYS  31           HG1      LYS  31   3.469   5.764  -3.957
  247   1HD   LYS  31           HD2      LYS  31   2.096   6.735  -5.720
  248   2HD   LYS  31           HD1      LYS  31   1.982   8.258  -4.845
  249   1HE   LYS  31           HE2      LYS  31   3.716   8.223  -6.702
  250   2HE   LYS  31           HE1      LYS  31   4.333   8.690  -5.123
  251   1HZ   LYS  31           HZ2      LYS  31   4.477   5.945  -6.235
  252   2HZ   LYS  31           HZ1      LYS  31   5.746   7.073  -6.284
  253   3HZ   LYS  31           HZ3      LYS  31   5.180   6.495  -4.790
  254    H    GLN  32           HN       GLN  32   0.619   7.517  -0.214
  255    HA   GLN  32           HA       GLN  32   2.648   9.528   0.167
  256   1HB   GLN  32           HB2      GLN  32   0.121   9.843   0.345
  257   2HB   GLN  32           HB1      GLN  32   0.229   9.086   1.930
  258   1HG   GLN  32           HG2      GLN  32   2.247  10.921   2.110
  259   2HG   GLN  32           HG1      GLN  32   1.122  11.777   1.058
  260   1HE2  GLN  32          HE22      GLN  32   0.105  11.035   4.954
  261   2HE2  GLN  32          HE21      GLN  32   1.451  10.265   4.264
  262    OH   TYR  33           OH       TYR  33   4.936   2.864   8.369
  263    H    TYR  33           HN       TYR  33   1.734   6.635   1.839
  264    HA   TYR  33           HA       TYR  33   3.209   7.239   4.277
  265   1HB   TYR  33           HB2      TYR  33   1.301   5.683   4.312
  266   2HB   TYR  33           HB1      TYR  33   2.149   4.613   3.200
  267    HD1  TYR  33           HD1      TYR  33   4.283   3.511   3.937
  268    HD2  TYR  33           HD2      TYR  33   1.843   5.689   6.655
  269    HE1  TYR  33           HE1      TYR  33   5.431   2.446   5.820
  270    HE2  TYR  33           HE2      TYR  33   2.992   4.624   8.540
  271    HH   TYR  33           HH       TYR  33   5.599   3.477   8.696
  272    H    ALA  34           HN       ALA  34   3.681   4.802   1.735
  273    HA   ALA  34           HA       ALA  34   6.238   3.927   2.417
  274   1HB   ALA  34           HB2      ALA  34   4.572   3.871   0.069
  275   2HB   ALA  34           HB1      ALA  34   6.243   4.160  -0.401
  276   3HB   ALA  34           HB3      ALA  34   5.830   2.739   0.552
  277    H    ASN  35           HN       ASN  35   5.320   6.854   0.691
  278    HA   ASN  35           HA       ASN  35   7.858   7.712  -0.193
  279   1HB   ASN  35           HB2      ASN  35   5.574   8.801  -0.608
  280   2HB   ASN  35           HB1      ASN  35   5.784   9.584   0.957
  281   1HD2  ASN  35          HD22      ASN  35   7.384  11.420  -2.095
  282   2HD2  ASN  35          HD21      ASN  35   5.983  10.463  -2.088
  283    H    ASP  36           HN       ASP  36   6.297   8.164   2.950
  284    HA   ASP  36           HA       ASP  36   8.582   9.608   4.049
  285   1HB   ASP  36           HB2      ASP  36   6.118   8.402   5.331
  286   2HB   ASP  36           HB1      ASP  36   7.332   9.318   6.221
  287    H    ASN  37           HN       ASN  37   8.796   6.787   2.943
  288    HA   ASN  37           HA       ASN  37  10.315   5.683   5.259
  289   1HB   ASN  37           HB2      ASN  37   8.240   4.266   3.591
  290   2HB   ASN  37           HB1      ASN  37   9.489   3.377   4.460
  291   1HD2  ASN  37          HD22      ASN  37   6.792   5.543   6.703
  292   2HD2  ASN  37          HD21      ASN  37   7.245   6.121   5.173
  293    H    GLY  38           HN       GLY  38   9.812   5.886   1.801
  294   1HA   GLY  38           HA2      GLY  38  11.690   6.041   0.265
  295   2HA   GLY  38           HA1      GLY  38  12.665   5.130   1.414
  296    H    VAL  39           HN       VAL  39   9.486   4.537  -0.075
  297    HA   VAL  39           HA       VAL  39  10.601   2.090  -1.355
  298    HB   VAL  39           HB       VAL  39   8.081   2.113   0.331
  299   1HG1  VAL  39          HG11      VAL  39   9.047   0.379  -1.758
  300   2HG1  VAL  39          HG13      VAL  39   9.076  -0.496  -0.231
  301   3HG1  VAL  39          HG12      VAL  39   7.576   0.225  -0.805
  302   1HG2  VAL  39          HG21      VAL  39  10.830   0.913   0.823
  303   2HG2  VAL  39          HG23      VAL  39  10.087   2.221   1.739
  304   3HG2  VAL  39          HG22      VAL  39   9.409   0.598   1.815
  305    H    ASP  40           HN       ASP  40  10.351   3.061  -3.380
  306    HA   ASP  40           HA       ASP  40   7.520   3.252  -4.296
  307   1HB   ASP  40           HB2      ASP  40   9.660   5.293  -4.957
  308   2HB   ASP  40           HB1      ASP  40   7.994   5.310  -5.528
  309    H    GLY  41           HN       GLY  41   7.185   2.206  -6.153
  310   1HA   GLY  41           HA2      GLY  41   8.972   2.107  -8.364
  311   2HA   GLY  41           HA1      GLY  41   9.221   0.651  -7.402
  312    H    GLU  42           HN       GLU  42   7.723  -0.968  -7.483
  313    HA   GLU  42           HA       GLU  42   5.549  -0.633  -9.493
  314   1HB   GLU  42           HB2      GLU  42   6.602  -3.147  -8.198
  315   2HB   GLU  42           HB1      GLU  42   5.496  -3.067  -9.560
  316   1HG   GLU  42           HG2      GLU  42   7.819  -1.455 -10.135
  317   2HG   GLU  42           HG1      GLU  42   8.340  -3.065  -9.645
  318    CH2  TRP  43           CH2      TRP  43   2.190   2.513  -2.189
  319    H    TRP  43           HN       TRP  43   3.436  -0.771  -8.934
  320    HA   TRP  43           HA       TRP  43   2.818  -1.361  -6.058
  321   1HB   TRP  43           HB2      TRP  43   1.808   0.760  -7.922
  322   2HB   TRP  43           HB1      TRP  43   0.831   0.240  -6.561
  323    HD1  TRP  43           HD1      TRP  43   4.429   1.457  -7.286
  324    HE1  TRP  43           HE1      TRP  43   5.142   2.808  -5.254
  325    HE3  TRP  43           HE3      TRP  43   0.462   0.656  -4.391
  326    HZ2  TRP  43           HZ2      TRP  43   4.098   3.399  -2.540
  327    HZ3  TRP  43           HZ3      TRP  43   0.303   1.524  -2.112
  328    HH2  TRP  43           HH2      TRP  43   2.118   2.886  -1.178
  329    H    THR  44           HN       THR  44   1.218  -2.759  -5.632
  330    HA   THR  44           HA       THR  44  -0.406  -3.773  -7.943
  331    HB   THR  44           HB       THR  44  -0.316  -6.020  -6.590
  332    HG1  THR  44           HG1      THR  44   1.918  -4.533  -5.633
  333   1HG2  THR  44          HG23      THR  44   2.225  -4.874  -7.819
  334   2HG2  THR  44          HG22      THR  44   1.928  -6.583  -7.516
  335   3HG2  THR  44          HG21      THR  44   0.967  -5.721  -8.713
  336    OH   TYR  45           OH       TYR  45  -8.886  -1.259  -3.108
  337    H    TYR  45           HN       TYR  45  -2.410  -4.885  -7.251
  338    HA   TYR  45           HA       TYR  45  -3.540  -3.863  -4.683
  339   1HB   TYR  45           HB2      TYR  45  -4.073  -2.391  -6.748
  340   2HB   TYR  45           HB1      TYR  45  -5.083  -3.734  -7.290
  341    HD1  TYR  45           HD1      TYR  45  -6.613  -4.656  -5.013
  342    HD2  TYR  45           HD2      TYR  45  -5.341  -0.691  -5.842
  343    HE1  TYR  45           HE1      TYR  45  -8.364  -3.790  -3.557
  344    HE2  TYR  45           HE2      TYR  45  -7.145   0.174  -4.442
  345    HH   TYR  45           HH       TYR  45  -8.859  -0.300  -3.151
  346    H    ASP  46           HN       ASP  46  -4.599  -5.445  -3.631
  347    HA   ASP  46           HA       ASP  46  -5.402  -7.882  -5.180
  348   1HB   ASP  46           HB2      ASP  46  -3.570  -7.983  -3.326
  349   2HB   ASP  46           HB1      ASP  46  -4.928  -7.869  -2.215
  350    H    ASP  47           HN       ASP  47  -7.452  -6.771  -5.622
  351    HA   ASP  47           HA       ASP  47  -9.222  -6.000  -3.476
  352   1HB   ASP  47           HB2      ASP  47  -9.455  -5.207  -5.833
  353   2HB   ASP  47           HB1      ASP  47  -9.948  -6.834  -6.298
  354    H    ALA  48           HN       ALA  48  -8.129  -8.989  -4.453
  355    HA   ALA  48           HA       ALA  48 -10.520 -10.572  -4.158
  356   1HB   ALA  48           HB2      ALA  48  -8.281 -11.254  -5.225
  357   2HB   ALA  48           HB1      ALA  48  -7.724 -11.547  -3.580
  358   3HB   ALA  48           HB3      ALA  48  -9.085 -12.460  -4.225
  359    H    THR  49           HN       THR  49  -8.250  -9.193  -1.919
  360    HA   THR  49           HA       THR  49  -9.930 -10.198   0.315
  361    HB   THR  49           HB       THR  49  -7.798 -10.799   1.596
  362    HG1  THR  49           HG1      THR  49  -6.738  -9.471  -0.264
  363   1HG2  THR  49          HG23      THR  49  -9.146 -12.557   0.315
  364   2HG2  THR  49          HG22      THR  49  -8.068 -12.275  -1.048
  365   3HG2  THR  49          HG21      THR  49  -7.429 -12.921   0.461
  366    H    LYS  50           HN       LYS  50  -9.139  -7.606  -1.126
  367    HA   LYS  50           HA       LYS  50  -8.725  -5.380  -0.521
  368   1HB   LYS  50           HB2      LYS  50  -9.649  -6.403   2.177
  369   2HB   LYS  50           HB1      LYS  50  -9.558  -4.711   1.701
  370   1HG   LYS  50           HG2      LYS  50 -11.404  -4.853   0.329
  371   2HG   LYS  50           HG1      LYS  50 -11.085  -6.525  -0.109
  372   1HD   LYS  50           HD2      LYS  50 -13.096  -6.356   1.322
  373   2HD   LYS  50           HD1      LYS  50 -11.824  -7.259   2.135
  374   1HE   LYS  50           HE2      LYS  50 -11.289  -5.453   3.563
  375   2HE   LYS  50           HE1      LYS  50 -12.077  -4.277   2.518
  376   1HZ   LYS  50           HZ3      LYS  50 -13.984  -6.161   3.286
  377   2HZ   LYS  50           HZ2      LYS  50 -13.154  -5.674   4.686
  378   3HZ   LYS  50           HZ1      LYS  50 -13.906  -4.515   3.698
  379    H    THR  51           HN       THR  51  -6.438  -6.433  -0.804
  380    HA   THR  51           HA       THR  51  -4.839  -5.574   1.569
  381    HB   THR  51           HB       THR  51  -4.493  -8.197   0.039
  382    HG1  THR  51           HG1      THR  51  -5.868  -8.614   1.605
  383   1HG2  THR  51          HG23      THR  51  -2.420  -6.727   1.202
  384   2HG2  THR  51          HG22      THR  51  -2.967  -7.759   2.516
  385   3HG2  THR  51          HG21      THR  51  -2.430  -8.470   0.999
  386    H    PHE  52           HN       PHE  52  -3.627  -3.901   0.810
  387    HA   PHE  52           HA       PHE  52  -2.988  -3.682  -2.030
  388   1HB   PHE  52           HB2      PHE  52  -2.943  -1.964   0.292
  389   2HB   PHE  52           HB1      PHE  52  -1.440  -1.841  -0.609
  390    HD1  PHE  52           HD1      PHE  52  -1.470  -1.134  -3.009
  391    HD2  PHE  52           HD2      PHE  52  -5.032  -1.272  -0.708
  392    HE1  PHE  52           HE1      PHE  52  -2.642   0.202  -4.715
  393    HE2  PHE  52           HE2      PHE  52  -6.154   0.159  -2.330
  394    HZ   PHE  52           HZ       PHE  52  -4.944   0.944  -4.310
  395    H    THR  53           HN       THR  53  -0.684  -3.376  -2.724
  396    HA   THR  53           HA       THR  53   1.383  -4.475  -0.972
  397    HB   THR  53           HB       THR  53   0.482  -6.042  -3.419
  398    HG1  THR  53           HG1      THR  53  -0.518  -7.141  -1.907
  399   1HG2  THR  53          HG23      THR  53   3.020  -5.939  -1.953
  400   2HG2  THR  53          HG22      THR  53   2.257  -7.521  -1.815
  401   3HG2  THR  53          HG21      THR  53   2.627  -6.857  -3.404
  402    H    VAL  54           HN       VAL  54   3.347  -3.738  -1.541
  403    HA   VAL  54           HA       VAL  54   3.734  -2.694  -4.310
  404    HB   VAL  54           HB       VAL  54   3.091  -0.813  -2.750
  405   1HG1  VAL  54          HG12      VAL  54   4.246  -1.894  -0.771
  406   2HG1  VAL  54          HG11      VAL  54   5.775  -1.366  -1.466
  407   3HG1  VAL  54          HG13      VAL  54   4.571  -0.180  -0.975
  408   1HG2  VAL  54          HG23      VAL  54   5.882  -0.854  -3.928
  409   2HG2  VAL  54          HG22      VAL  54   4.417  -0.243  -4.675
  410   3HG2  VAL  54          HG21      VAL  54   5.124   0.601  -3.307
  411    H    THR  55           HN       THR  55   5.934  -2.699  -4.962
  412    HA   THR  55           HA       THR  55   7.889  -3.926  -3.082
  413    HB   THR  55           HB       THR  55   7.268  -5.106  -5.825
  414    HG1  THR  55           HG1      THR  55   6.252  -5.354  -3.341
  415   1HG2  THR  55          HG23      THR  55   9.447  -5.466  -3.836
  416   2HG2  THR  55          HG22      THR  55   8.655  -6.955  -4.344
  417   3HG2  THR  55          HG21      THR  55   9.411  -5.909  -5.536
  418    H    GLU  56           HN       GLU  56   9.588  -2.571  -3.147
  419    HA   GLU  56           HA       GLU  56  10.092  -0.678  -5.214
  420   1HB   GLU  56           HB2      GLU  56  11.185  -1.251  -2.721
  421   2HB   GLU  56           HB1      GLU  56  12.516  -1.531  -3.831
  422   1HG   GLU  56           HG2      GLU  56  11.957   0.720  -4.887
  423   2HG   GLU  56           HG1      GLU  56  10.852   0.990  -3.542
   
  Start of MODEL          55
 Raw file had 423 H/Q atoms
  Entry Start of MODEL   55
    1   1H    MET   1           HT2      MET   1 -13.952   1.099   5.593
    2   2H    MET   1           HT1      MET   1 -15.336   0.493   4.817
    3   3H    MET   1           HT3      MET   1 -14.337  -0.551   5.709
    4    HA   MET   1           HA       MET   1 -13.663  -1.026   3.589
    5   1HB   MET   1           HB2      MET   1 -14.446   1.804   3.095
    6   2HB   MET   1           HB1      MET   1 -13.170   1.143   2.078
    7   1HG   MET   1           HG2      MET   1 -14.558  -0.649   1.341
    8   2HG   MET   1           HG1      MET   1 -15.752  -0.330   2.569
    9   1HE   MET   1           HE2      MET   1 -16.875  -1.125   0.356
   10   2HE   MET   1           HE1      MET   1 -18.035  -0.114   1.217
   11   3HE   MET   1           HE3      MET   1 -17.826   0.072  -0.525
   12    H    THR   2           HN       THR   2 -11.759  -1.629   4.578
   13    HA   THR   2           HA       THR   2  -9.552   0.373   4.401
   14    HB   THR   2           HB       THR   2  -9.783  -1.551   6.741
   15    HG1  THR   2           HG1      THR   2 -10.889   0.053   7.732
   16   1HG2  THR   2          HG21      THR   2  -7.613  -0.158   5.988
   17   2HG2  THR   2          HG23      THR   2  -8.491   1.160   6.757
   18   3HG2  THR   2          HG22      THR   2  -8.061  -0.273   7.686
   19    OH   TYR   3           OH       TYR   3 -11.689   0.011  -0.940
   20    H    TYR   3           HN       TYR   3  -7.806  -0.412   3.383
   21    HA   TYR   3           HA       TYR   3  -7.722  -3.358   2.856
   22   1HB   TYR   3           HB2      TYR   3  -6.146  -1.277   1.356
   23   2HB   TYR   3           HB1      TYR   3  -6.590  -2.897   0.837
   24    HD1  TYR   3           HD1      TYR   3  -8.096   0.395   1.788
   25    HD2  TYR   3           HD2      TYR   3  -8.574  -3.223  -0.382
   26    HE1  TYR   3           HE1      TYR   3 -10.157   1.268   0.784
   27    HE2  TYR   3           HE2      TYR   3 -10.629  -2.351  -1.395
   28    HH   TYR   3           HH       TYR   3 -11.815  -0.426  -1.786
   29    H    LYS   4           HN       LYS   4  -5.608  -4.385   2.836
   30    HA   LYS   4           HA       LYS   4  -3.826  -3.225   4.937
   31   1HB   LYS   4           HB2      LYS   4  -5.000  -5.632   4.956
   32   2HB   LYS   4           HB1      LYS   4  -3.584  -6.058   4.012
   33   1HG   LYS   4           HG2      LYS   4  -2.345  -4.686   5.964
   34   2HG   LYS   4           HG1      LYS   4  -3.763  -5.211   6.867
   35   1HD   LYS   4           HD2      LYS   4  -1.866  -7.007   5.320
   36   2HD   LYS   4           HD1      LYS   4  -1.979  -6.886   7.073
   37   1HE   LYS   4           HE2      LYS   4  -4.543  -7.428   6.602
   38   2HE   LYS   4           HE1      LYS   4  -3.890  -8.137   5.130
   39   1HZ   LYS   4           HZ1      LYS   4  -2.237  -9.236   6.778
   40   2HZ   LYS   4           HZ3      LYS   4  -3.454  -8.924   7.921
   41   3HZ   LYS   4           HZ2      LYS   4  -3.791  -9.889   6.565
   42    H    LEU   5           HN       LEU   5  -1.875  -2.489   4.314
   43    HA   LEU   5           HA       LEU   5  -0.985  -3.063   1.558
   44   1HB   LEU   5           HB2      LEU   5  -0.848  -0.747   2.204
   45   2HB   LEU   5           HB1      LEU   5  -0.034  -1.142   3.707
   46    HG   LEU   5           HG       LEU   5   1.949  -1.966   2.321
   47   1HD1  LEU   5          HD13      LEU   5   0.358  -0.657   0.093
   48   2HD1  LEU   5          HD12      LEU   5   2.026  -1.195  -0.039
   49   3HD1  LEU   5          HD11      LEU   5   0.743  -2.370   0.201
   50   1HD2  LEU   5          HD22      LEU   5   1.714   0.363   3.322
   51   2HD2  LEU   5          HD21      LEU   5   2.812   0.232   1.953
   52   3HD2  LEU   5          HD23      LEU   5   1.199   0.898   1.725
   53    H    ILE   6           HN       ILE   6   1.069  -3.925   1.079
   54    HA   ILE   6           HA       ILE   6   2.510  -5.250   3.295
   55    HB   ILE   6           HB       ILE   6   2.022  -6.491   0.582
   56   1HG1  ILE   6          HG12      ILE   6   0.765  -7.238   3.250
   57   2HG1  ILE   6          HG11      ILE   6  -0.050  -6.278   2.024
   58   1HG2  ILE   6          HG23      ILE   6   3.967  -6.989   2.562
   59   2HG2  ILE   6          HG22      ILE   6   2.775  -8.266   2.765
   60   3HG2  ILE   6          HG21      ILE   6   3.557  -8.034   1.206
   61   1HD1  ILE   6           HD3      ILE   6   1.158  -8.915   1.222
   62   2HD1  ILE   6           HD2      ILE   6  -0.382  -8.903   2.070
   63   3HD1  ILE   6           HD1      ILE   6  -0.217  -8.067   0.531
   64    H    LEU   7           HN       LEU   7   4.311  -4.026   3.362
   65    HA   LEU   7           HA       LEU   7   5.499  -2.934   0.936
   66   1HB   LEU   7           HB2      LEU   7   6.354  -2.921   3.825
   67   2HB   LEU   7           HB1      LEU   7   7.292  -2.161   2.545
   68    HG   LEU   7           HG       LEU   7   4.418  -1.478   2.509
   69   1HD1  LEU   7          HD12      LEU   7   6.216  -0.576   4.786
   70   2HD1  LEU   7          HD11      LEU   7   4.633   0.102   4.420
   71   3HD1  LEU   7          HD13      LEU   7   4.774  -1.573   4.945
   72   1HD2  LEU   7          HD21      LEU   7   6.133  -0.403   1.075
   73   2HD2  LEU   7          HD23      LEU   7   5.371   0.774   2.139
   74   3HD2  LEU   7          HD22      LEU   7   6.978   0.161   2.513
   75    H    ASN   8           HN       ASN   8   6.742  -4.060  -0.398
   76    HA   ASN   8           HA       ASN   8   8.301  -6.347   0.712
   77   1HB   ASN   8           HB2      ASN   8   6.838  -5.862  -1.750
   78   2HB   ASN   8           HB1      ASN   8   8.481  -6.365  -2.089
   79   1HD2  ASN   8          HD22      ASN   8   5.895  -9.142  -1.163
   80   2HD2  ASN   8          HD21      ASN   8   5.547  -7.643  -1.865
   81    H    GLY   9           HN       GLY   9   9.167  -3.698   1.184
   82   1HA   GLY   9           HA2      GLY   9  11.018  -2.636  -0.649
   83   2HA   GLY   9           HA1      GLY   9  11.170  -2.470   1.093
   84    H    LYS  10           HN       LYS  10  13.082  -3.085  -1.206
   85    HA   LYS  10           HA       LYS  10  14.083  -5.722  -1.000
   86   1HB   LYS  10           HB2      LYS  10  15.177  -3.090  -1.825
   87   2HB   LYS  10           HB1      LYS  10  16.372  -4.298  -1.372
   88   1HG   LYS  10           HG2      LYS  10  14.122  -5.065  -3.225
   89   2HG   LYS  10           HG1      LYS  10  15.513  -4.196  -3.860
   90   1HD   LYS  10           HD2      LYS  10  17.005  -5.929  -3.340
   91   2HD   LYS  10           HD1      LYS  10  15.947  -6.604  -2.108
   92   1HE   LYS  10           HE2      LYS  10  15.935  -8.027  -4.120
   93   2HE   LYS  10           HE1      LYS  10  14.351  -7.305  -3.874
   94   1HZ   LYS  10           HZ2      LYS  10  16.073  -5.669  -5.465
   95   2HZ   LYS  10           HZ1      LYS  10  15.814  -7.199  -6.155
   96   3HZ   LYS  10           HZ3      LYS  10  14.492  -6.203  -5.775
   97    H    THR  11           HN       THR  11  14.661  -2.888   0.997
   98    HA   THR  11           HA       THR  11  16.007  -4.649   3.000
   99    HB   THR  11           HB       THR  11  17.091  -2.266   3.608
  100    HG1  THR  11           HG1      THR  11  15.806  -1.295   1.952
  101   1HG2  THR  11          HG23      THR  11  17.921  -3.942   1.207
  102   2HG2  THR  11          HG22      THR  11  18.948  -2.755   2.008
  103   3HG2  THR  11          HG21      THR  11  18.452  -4.212   2.865
  104    H    LEU  12           HN       LEU  12  13.227  -3.139   2.389
  105    HA   LEU  12           HA       LEU  12  12.749  -2.622   5.284
  106   1HB   LEU  12           HB2      LEU  12  13.277  -0.441   4.155
  107   2HB   LEU  12           HB1      LEU  12  11.892  -0.701   3.105
  108    HG   LEU  12           HG       LEU  12  10.419  -0.829   5.131
  109   1HD1  LEU  12          HD11      LEU  12  13.079  -0.499   6.465
  110   2HD1  LEU  12          HD13      LEU  12  11.704   0.329   7.186
  111   3HD1  LEU  12          HD12      LEU  12  11.674  -1.421   6.988
  112   1HD2  LEU  12          HD21      LEU  12  10.809   1.311   3.876
  113   2HD2  LEU  12          HD23      LEU  12  10.430   1.568   5.576
  114   3HD2  LEU  12          HD22      LEU  12  12.094   1.699   5.016
  115    H    LYS  13           HN       LYS  13  11.520  -4.537   5.316
  116    HA   LYS  13           HA       LYS  13   9.084  -4.569   3.604
  117   1HB   LYS  13           HB2      LYS  13  10.402  -6.716   5.272
  118   2HB   LYS  13           HB1      LYS  13   8.868  -6.935   4.444
  119   1HG   LYS  13           HG2      LYS  13  10.032  -6.269   2.296
  120   2HG   LYS  13           HG1      LYS  13  11.553  -6.306   3.180
  121   1HD   LYS  13           HD2      LYS  13  11.111  -8.677   3.799
  122   2HD   LYS  13           HD1      LYS  13   9.627  -8.632   2.854
  123   1HE   LYS  13           HE2      LYS  13  11.258  -9.569   1.390
  124   2HE   LYS  13           HE1      LYS  13  11.096  -7.895   0.876
  125   1HZ   LYS  13           HZ1      LYS  13  13.009  -7.645   2.685
  126   2HZ   LYS  13           HZ3      LYS  13  13.323  -9.233   2.171
  127   3HZ   LYS  13           HZ2      LYS  13  13.319  -7.961   1.046
  128    H    GLY  14           HN       GLY  14   7.046  -4.507   4.472
  129   1HA   GLY  14           HA2      GLY  14   6.526  -4.855   7.300
  130   2HA   GLY  14           HA1      GLY  14   6.541  -3.149   6.860
  131    H    GLU  15           HN       GLU  15   4.272  -3.173   7.494
  132    HA   GLU  15           HA       GLU  15   2.506  -3.386   5.252
  133   1HB   GLU  15           HB2      GLU  15   1.043  -5.222   6.185
  134   2HB   GLU  15           HB1      GLU  15   2.598  -5.774   5.578
  135   1HG   GLU  15           HG2      GLU  15   2.883  -4.999   8.342
  136   2HG   GLU  15           HG1      GLU  15   1.541  -6.130   8.189
  137    H    THR  16           HN       THR  16   0.700  -2.187   5.627
  138    HA   THR  16           HA       THR  16  -0.209  -1.727   8.396
  139    HB   THR  16           HB       THR  16   1.625   0.006   7.921
  140    HG1  THR  16           HG1      THR  16  -0.868   0.149   8.884
  141   1HG2  THR  16          HG23      THR  16   0.380   0.313   5.485
  142   2HG2  THR  16          HG22      THR  16  -0.390   1.587   6.426
  143   3HG2  THR  16          HG21      THR  16   1.361   1.563   6.240
  144    H    THR  17           HN       THR  17  -2.315  -0.854   8.514
  145    HA   THR  17           HA       THR  17  -3.828  -1.103   5.952
  146    HB   THR  17           HB       THR  17  -5.715  -1.768   7.253
  147    HG1  THR  17           HG1      THR  17  -5.738  -1.179   9.476
  148   1HG2  THR  17          HG23      THR  17  -3.339  -3.105   7.759
  149   2HG2  THR  17          HG22      THR  17  -3.850  -2.638   9.376
  150   3HG2  THR  17          HG21      THR  17  -4.909  -3.615   8.366
  151    H    THR  18           HN       THR  18  -5.111   0.526   5.202
  152    HA   THR  18           HA       THR  18  -5.298   3.024   6.830
  153    HB   THR  18           HB       THR  18  -3.450   3.039   4.943
  154    HG1  THR  18           HG1      THR  18  -5.409   5.040   4.721
  155   1HG2  THR  18          HG22      THR  18  -5.372   2.213   3.269
  156   2HG2  THR  18          HG21      THR  18  -5.791   3.922   3.274
  157   3HG2  THR  18          HG23      THR  18  -4.193   3.408   2.744
  158    H    GLU  19           HN       GLU  19  -7.124   4.317   6.377
  159    HA   GLU  19           HA       GLU  19  -9.381   2.785   5.257
  160   1HB   GLU  19           HB2      GLU  19  -9.693   3.991   7.373
  161   2HB   GLU  19           HB1      GLU  19  -9.282   5.509   6.581
  162   1HG   GLU  19           HG2      GLU  19 -11.285   5.595   5.403
  163   2HG   GLU  19           HG1      GLU  19 -11.474   3.843   5.394
  164    H    ALA  20           HN       ALA  20 -10.177   3.076   3.270
  165    HA   ALA  20           HA       ALA  20  -9.656   5.647   1.860
  166   1HB   ALA  20           HB2      ALA  20  -8.611   2.981   1.150
  167   2HB   ALA  20           HB1      ALA  20  -9.367   3.850  -0.181
  168   3HB   ALA  20           HB3      ALA  20  -8.021   4.574   0.694
  169    H    VAL  21           HN       VAL  21 -11.376   6.355   0.734
  170    HA   VAL  21           HA       VAL  21 -13.876   4.876   0.916
  171    HB   VAL  21           HB       VAL  21 -14.004   7.262   1.089
  172   1HG1  VAL  21          HG12      VAL  21 -12.458   7.211  -1.516
  173   2HG1  VAL  21          HG11      VAL  21 -13.278   8.655  -0.934
  174   3HG1  VAL  21          HG13      VAL  21 -11.972   7.945   0.009
  175   1HG2  VAL  21          HG23      VAL  21 -15.632   5.873  -0.514
  176   2HG2  VAL  21          HG22      VAL  21 -15.773   7.622  -0.371
  177   3HG2  VAL  21          HG21      VAL  21 -14.921   6.917  -1.741
  178    H    ASP  22           HN       ASP  22 -11.382   5.247  -1.454
  179    HA   ASP  22           HA       ASP  22 -12.849   3.373  -3.223
  180   1HB   ASP  22           HB2      ASP  22 -12.413   4.754  -5.217
  181   2HB   ASP  22           HB1      ASP  22 -13.411   5.631  -4.059
  182    H    ALA  23           HN       ALA  23 -11.332   2.809  -5.157
  183    HA   ALA  23           HA       ALA  23  -8.847   1.840  -3.983
  184   1HB   ALA  23           HB3      ALA  23 -10.063   1.647  -6.741
  185   2HB   ALA  23           HB2      ALA  23  -8.479   0.977  -6.363
  186   3HB   ALA  23           HB1      ALA  23  -9.910   0.375  -5.534
  187    H    ALA  24           HN       ALA  24  -9.808   4.540  -5.910
  188    HA   ALA  24           HA       ALA  24  -7.213   5.139  -7.031
  189   1HB   ALA  24           HB2      ALA  24  -9.684   6.064  -7.543
  190   2HB   ALA  24           HB1      ALA  24  -9.122   7.355  -6.485
  191   3HB   ALA  24           HB3      ALA  24  -8.237   6.974  -7.959
  192    H    THR  25           HN       THR  25  -9.002   6.490  -4.267
  193    HA   THR  25           HA       THR  25  -6.861   8.186  -3.394
  194    HB   THR  25           HB       THR  25  -9.356   8.277  -2.659
  195    HG1  THR  25           HG1      THR  25  -6.964   8.612  -1.305
  196   1HG2  THR  25          HG22      THR  25  -9.025   5.765  -1.740
  197   2HG2  THR  25          HG21      THR  25  -8.407   6.634  -0.340
  198   3HG2  THR  25          HG23      THR  25 -10.054   6.914  -0.892
  199    H    ALA  26           HN       ALA  26  -7.575   4.812  -2.908
  200    HA   ALA  26           HA       ALA  26  -5.829   4.404  -0.650
  201   1HB   ALA  26           HB3      ALA  26  -7.641   2.823  -1.397
  202   2HB   ALA  26           HB2      ALA  26  -6.609   2.378  -2.752
  203   3HB   ALA  26           HB1      ALA  26  -6.087   2.047  -1.102
  204    H    GLU  27           HN       GLU  27  -5.383   4.437  -4.112
  205    HA   GLU  27           HA       GLU  27  -2.781   3.246  -4.196
  206   1HB   GLU  27           HB2      GLU  27  -4.416   4.952  -6.014
  207   2HB   GLU  27           HB1      GLU  27  -2.696   4.821  -6.348
  208   1HG   GLU  27           HG2      GLU  27  -2.878   2.355  -6.359
  209   2HG   GLU  27           HG1      GLU  27  -4.599   2.480  -6.004
  210    H    LYS  28           HN       LYS  28  -3.755   6.676  -4.233
  211    HA   LYS  28           HA       LYS  28  -0.992   7.562  -3.977
  212   1HB   LYS  28           HB2      LYS  28  -1.803   9.701  -4.287
  213   2HB   LYS  28           HB1      LYS  28  -3.110   8.775  -5.011
  214   1HG   LYS  28           HG2      LYS  28  -4.162   8.773  -2.638
  215   2HG   LYS  28           HG1      LYS  28  -3.016  10.063  -2.279
  216   1HD   LYS  28           HD2      LYS  28  -3.877  11.314  -4.280
  217   2HD   LYS  28           HD1      LYS  28  -5.093  10.060  -4.496
  218   1HE   LYS  28           HE2      LYS  28  -4.798  11.500  -1.856
  219   2HE   LYS  28           HE1      LYS  28  -5.769  12.178  -3.155
  220   1HZ   LYS  28           HZ1      LYS  28  -7.003  10.061  -3.214
  221   2HZ   LYS  28           HZ3      LYS  28  -6.139   9.548  -1.844
  222   3HZ   LYS  28           HZ2      LYS  28  -7.165  10.899  -1.745
  223    H    VAL  29           HN       VAL  29  -3.596   6.878  -1.753
  224    HA   VAL  29           HA       VAL  29  -2.563   8.350   0.486
  225    HB   VAL  29           HB       VAL  29  -4.354   5.938   0.269
  226   1HG1  VAL  29          HG13      VAL  29  -3.190   7.277   2.710
  227   2HG1  VAL  29          HG12      VAL  29  -4.762   6.487   2.779
  228   3HG1  VAL  29          HG11      VAL  29  -3.326   5.555   2.368
  229   1HG2  VAL  29          HG21      VAL  29  -4.895   8.532  -0.202
  230   2HG2  VAL  29          HG23      VAL  29  -6.077   7.456   0.537
  231   3HG2  VAL  29          HG22      VAL  29  -5.109   8.527   1.545
  232    H    PHE  30           HN       PHE  30  -2.448   4.818  -0.044
  233    HA   PHE  30           HA       PHE  30  -0.514   4.276   1.945
  234   1HB   PHE  30           HB2      PHE  30  -1.330   2.896  -0.591
  235   2HB   PHE  30           HB1      PHE  30   0.125   2.344   0.229
  236    HD1  PHE  30           HD1      PHE  30  -0.273   2.227   2.971
  237    HD2  PHE  30           HD2      PHE  30  -3.261   1.709  -0.027
  238    HE1  PHE  30           HE1      PHE  30  -1.669   0.976   4.562
  239    HE2  PHE  30           HE2      PHE  30  -4.623   0.443   1.566
  240    HZ   PHE  30           HZ       PHE  30  -3.823   0.039   3.849
  241    H    LYS  31           HN       LYS  31  -0.160   5.486  -1.313
  242    HA   LYS  31           HA       LYS  31   2.669   5.111  -1.555
  243   1HB   LYS  31           HB2      LYS  31   1.101   5.689  -3.437
  244   2HB   LYS  31           HB1      LYS  31   1.019   7.326  -2.790
  245   1HG   LYS  31           HG2      LYS  31   3.405   7.637  -3.101
  246   2HG   LYS  31           HG1      LYS  31   3.615   5.946  -3.540
  247   1HD   LYS  31           HD2      LYS  31   2.262   6.257  -5.552
  248   2HD   LYS  31           HD1      LYS  31   1.902   7.917  -5.090
  249   1HE   LYS  31           HE2      LYS  31   3.929   8.678  -5.800
  250   2HE   LYS  31           HE1      LYS  31   4.783   7.288  -5.141
  251   1HZ   LYS  31           HZ3      LYS  31   3.204   7.290  -7.653
  252   2HZ   LYS  31           HZ2      LYS  31   4.898   7.380  -7.557
  253   3HZ   LYS  31           HZ1      LYS  31   4.091   5.983  -7.028
  254    H    GLN  32           HN       GLN  32   0.700   7.712  -0.226
  255    HA   GLN  32           HA       GLN  32   2.782   9.594   0.233
  256   1HB   GLN  32           HB2      GLN  32   0.369  10.111   0.490
  257   2HB   GLN  32           HB1      GLN  32   0.317   9.089   1.923
  258   1HG   GLN  32           HG2      GLN  32   1.907  10.527   3.076
  259   2HG   GLN  32           HG1      GLN  32   2.168  11.477   1.616
  260   1HE2  GLN  32          HE22      GLN  32  -0.247  13.601   3.206
  261   2HE2  GLN  32          HE21      GLN  32   1.421  13.338   3.032
  262    OH   TYR  33           OH       TYR  33   5.177   2.808   8.307
  263    H    TYR  33           HN       TYR  33   1.796   6.725   1.950
  264    HA   TYR  33           HA       TYR  33   3.344   7.229   4.339
  265   1HB   TYR  33           HB2      TYR  33   1.468   5.623   4.310
  266   2HB   TYR  33           HB1      TYR  33   2.359   4.611   3.178
  267    HD1  TYR  33           HD1      TYR  33   4.409   3.439   3.893
  268    HD2  TYR  33           HD2      TYR  33   2.111   5.705   6.660
  269    HE1  TYR  33           HE1      TYR  33   5.584   2.358   5.749
  270    HE2  TYR  33           HE2      TYR  33   3.287   4.623   8.521
  271    HH   TYR  33           HH       TYR  33   5.261   1.874   8.100
  272    H    ALA  34           HN       ALA  34   3.854   4.861   1.740
  273    HA   ALA  34           HA       ALA  34   6.436   4.045   2.348
  274   1HB   ALA  34           HB1      ALA  34   5.051   4.483  -0.286
  275   2HB   ALA  34           HB3      ALA  34   6.721   3.931  -0.240
  276   3HB   ALA  34           HB2      ALA  34   5.454   2.964   0.509
  277    H    ASN  35           HN       ASN  35   5.437   7.034   0.788
  278    HA   ASN  35           HA       ASN  35   7.926   7.991  -0.115
  279   1HB   ASN  35           HB2      ASN  35   5.721   9.112  -0.488
  280   2HB   ASN  35           HB1      ASN  35   5.754   9.653   1.187
  281   1HD2  ASN  35          HD22      ASN  35   7.993  12.296   0.558
  282   2HD2  ASN  35          HD21      ASN  35   7.026  11.480   1.689
  283    H    ASP  36           HN       ASP  36   6.543   8.033   3.123
  284    HA   ASP  36           HA       ASP  36   8.653   9.638   4.286
  285   1HB   ASP  36           HB2      ASP  36   6.338   8.066   5.274
  286   2HB   ASP  36           HB1      ASP  36   7.659   8.304   6.416
  287    H    ASN  37           HN       ASN  37   9.143   6.959   2.761
  288    HA   ASN  37           HA       ASN  37  11.226   6.013   4.666
  289   1HB   ASN  37           HB2      ASN  37   9.480   4.107   3.097
  290   2HB   ASN  37           HB1      ASN  37  10.658   3.701   4.342
  291   1HD2  ASN  37          HD22      ASN  37   6.901   4.785   5.398
  292   2HD2  ASN  37          HD21      ASN  37   7.372   4.674   3.771
  293    H    GLY  38           HN       GLY  38   9.920   5.569   1.399
  294   1HA   GLY  38           HA2      GLY  38  11.474   6.389  -0.450
  295   2HA   GLY  38           HA1      GLY  38  12.732   5.474   0.372
  296    H    VAL  39           HN       VAL  39   9.554   4.156   0.348
  297    HA   VAL  39           HA       VAL  39  10.505   2.010  -1.477
  298    HB   VAL  39           HB       VAL  39   8.009   2.025   0.228
  299   1HG1  VAL  39          HG13      VAL  39   8.122   0.370  -1.629
  300   2HG1  VAL  39          HG12      VAL  39   9.659  -0.213  -0.998
  301   3HG1  VAL  39          HG11      VAL  39   8.186  -0.416  -0.055
  302   1HG2  VAL  39          HG22      VAL  39  10.864   1.659   0.915
  303   2HG2  VAL  39          HG21      VAL  39   9.500   2.037   1.963
  304   3HG2  VAL  39          HG23      VAL  39   9.805   0.371   1.483
  305    H    ASP  40           HN       ASP  40  10.190   3.615  -3.273
  306    HA   ASP  40           HA       ASP  40   7.337   3.583  -4.198
  307   1HB   ASP  40           HB2      ASP  40   9.460   5.710  -4.468
  308   2HB   ASP  40           HB1      ASP  40   8.056   5.663  -5.532
  309    H    GLY  41           HN       GLY  41   7.037   2.374  -5.948
  310   1HA   GLY  41           HA2      GLY  41   8.761   2.475  -8.253
  311   2HA   GLY  41           HA1      GLY  41   9.048   0.991  -7.347
  312    H    GLU  42           HN       GLU  42   7.578  -0.653  -7.475
  313    HA   GLU  42           HA       GLU  42   5.377  -0.280  -9.443
  314   1HB   GLU  42           HB2      GLU  42   6.324  -2.868  -8.221
  315   2HB   GLU  42           HB1      GLU  42   5.392  -2.656  -9.697
  316   1HG   GLU  42           HG2      GLU  42   7.478  -1.192 -10.431
  317   2HG   GLU  42           HG1      GLU  42   8.315  -2.150  -9.212
  318    CH2  TRP  43           CH2      TRP  43   2.121   2.552  -2.081
  319    H    TRP  43           HN       TRP  43   3.249  -0.611  -8.911
  320    HA   TRP  43           HA       TRP  43   2.667  -1.191  -6.028
  321   1HB   TRP  43           HB2      TRP  43   1.595   0.933  -7.857
  322   2HB   TRP  43           HB1      TRP  43   0.653   0.385  -6.479
  323    HD1  TRP  43           HD1      TRP  43   4.199   1.698  -7.280
  324    HE1  TRP  43           HE1      TRP  43   4.980   2.956  -5.216
  325    HE3  TRP  43           HE3      TRP  43   0.327   0.776  -4.296
  326    HZ2  TRP  43           HZ2      TRP  43   4.023   3.442  -2.457
  327    HZ3  TRP  43           HZ3      TRP  43   0.233   1.560  -1.984
  328    HH2  TRP  43           HH2      TRP  43   2.077   2.897  -1.058
  329    H    THR  44           HN       THR  44   1.150  -2.669  -5.618
  330    HA   THR  44           HA       THR  44  -0.465  -3.702  -7.925
  331    HB   THR  44           HB       THR  44  -0.337  -5.936  -6.554
  332    HG1  THR  44           HG1      THR  44   0.578  -4.635  -4.777
  333   1HG2  THR  44          HG21      THR  44   2.162  -4.722  -7.804
  334   2HG2  THR  44          HG23      THR  44   1.959  -6.432  -7.433
  335   3HG2  THR  44          HG22      THR  44   0.949  -5.671  -8.659
  336    OH   TYR  45           OH       TYR  45  -9.013  -1.434  -3.118
  337    H    TYR  45           HN       TYR  45  -2.409  -4.954  -7.169
  338    HA   TYR  45           HA       TYR  45  -3.594  -3.912  -4.642
  339   1HB   TYR  45           HB2      TYR  45  -4.157  -2.476  -6.726
  340   2HB   TYR  45           HB1      TYR  45  -5.127  -3.851  -7.255
  341    HD1  TYR  45           HD1      TYR  45  -6.623  -4.788  -4.949
  342    HD2  TYR  45           HD2      TYR  45  -5.485  -0.797  -5.863
  343    HE1  TYR  45           HE1      TYR  45  -8.410  -3.952  -3.521
  344    HE2  TYR  45           HE2      TYR  45  -7.319   0.036  -4.479
  345    HH   TYR  45           HH       TYR  45  -9.838  -1.584  -3.588
  346    H    ASP  46           HN       ASP  46  -4.569  -5.542  -3.577
  347    HA   ASP  46           HA       ASP  46  -5.238  -8.031  -5.104
  348   1HB   ASP  46           HB2      ASP  46  -3.516  -8.023  -3.156
  349   2HB   ASP  46           HB1      ASP  46  -4.929  -7.897  -2.113
  350    H    ASP  47           HN       ASP  47  -7.308  -7.110  -5.712
  351    HA   ASP  47           HA       ASP  47  -9.241  -6.317  -3.709
  352   1HB   ASP  47           HB2      ASP  47  -9.295  -5.675  -6.162
  353   2HB   ASP  47           HB1      ASP  47  -9.831  -7.319  -6.502
  354    H    ALA  48           HN       ALA  48  -7.871  -9.207  -4.113
  355    HA   ALA  48           HA       ALA  48 -10.226 -10.933  -4.068
  356   1HB   ALA  48           HB3      ALA  48  -7.802 -11.499  -4.849
  357   2HB   ALA  48           HB2      ALA  48  -7.496 -11.780  -3.139
  358   3HB   ALA  48           HB1      ALA  48  -8.718 -12.727  -3.981
  359    H    THR  49           HN       THR  49  -8.103  -9.445  -1.716
  360    HA   THR  49           HA       THR  49  -9.991 -10.291   0.422
  361    HB   THR  49           HB       THR  49  -8.007 -10.872   1.903
  362    HG1  THR  49           HG1      THR  49  -6.865 -10.120  -0.541
  363   1HG2  THR  49          HG22      THR  49  -9.214 -12.660   0.502
  364   2HG2  THR  49          HG21      THR  49  -7.954 -12.428  -0.706
  365   3HG2  THR  49          HG23      THR  49  -7.538 -13.027   0.896
  366    H    LYS  50           HN       LYS  50  -9.126  -7.782  -1.074
  367    HA   LYS  50           HA       LYS  50  -8.791  -5.523  -0.557
  368   1HB   LYS  50           HB2      LYS  50  -9.689  -6.392   2.202
  369   2HB   LYS  50           HB1      LYS  50  -9.688  -4.748   1.581
  370   1HG   LYS  50           HG2      LYS  50 -11.652  -5.068   0.505
  371   2HG   LYS  50           HG1      LYS  50 -11.082  -6.562  -0.228
  372   1HD   LYS  50           HD2      LYS  50 -13.019  -6.982   1.261
  373   2HD   LYS  50           HD1      LYS  50 -11.572  -7.786   1.861
  374   1HE   LYS  50           HE2      LYS  50 -11.496  -6.496   3.734
  375   2HE   LYS  50           HE1      LYS  50 -11.868  -5.027   2.842
  376   1HZ   LYS  50           HZ2      LYS  50 -14.104  -6.783   2.946
  377   2HZ   LYS  50           HZ1      LYS  50 -13.550  -6.394   4.504
  378   3HZ   LYS  50           HZ3      LYS  50 -13.983  -5.158   3.424
  379    H    THR  51           HN       THR  51  -6.484  -6.417  -0.809
  380    HA   THR  51           HA       THR  51  -4.939  -5.491   1.567
  381    HB   THR  51           HB       THR  51  -4.704  -8.194   0.200
  382    HG1  THR  51           HG1      THR  51  -5.684  -8.496   2.052
  383   1HG2  THR  51          HG21      THR  51  -2.660  -6.839   2.003
  384   2HG2  THR  51          HG23      THR  51  -2.619  -8.521   1.504
  385   3HG2  THR  51          HG22      THR  51  -2.385  -7.246   0.316
  386    H    PHE  52           HN       PHE  52  -3.707  -3.831   0.809
  387    HA   PHE  52           HA       PHE  52  -3.057  -3.637  -2.032
  388   1HB   PHE  52           HB2      PHE  52  -3.045  -1.885   0.270
  389   2HB   PHE  52           HB1      PHE  52  -1.549  -1.744  -0.645
  390    HD1  PHE  52           HD1      PHE  52  -1.601  -1.047  -3.039
  391    HD2  PHE  52           HD2      PHE  52  -5.158  -1.273  -0.737
  392    HE1  PHE  52           HE1      PHE  52  -2.819   0.220  -4.767
  393    HE2  PHE  52           HE2      PHE  52  -6.326   0.098  -2.374
  394    HZ   PHE  52           HZ       PHE  52  -5.146   0.903  -4.366
  395    H    THR  53           HN       THR  53  -0.748  -3.276  -2.710
  396    HA   THR  53           HA       THR  53   1.331  -4.331  -0.943
  397    HB   THR  53           HB       THR  53   0.443  -5.928  -3.375
  398    HG1  THR  53           HG1      THR  53  -0.700  -6.684  -1.736
  399   1HG2  THR  53          HG23      THR  53   2.872  -6.060  -1.569
  400   2HG2  THR  53          HG22      THR  53   2.230  -7.519  -2.319
  401   3HG2  THR  53          HG21      THR  53   2.822  -6.199  -3.323
  402    H    VAL  54           HN       VAL  54   3.313  -3.595  -1.528
  403    HA   VAL  54           HA       VAL  54   3.633  -2.478  -4.283
  404    HB   VAL  54           HB       VAL  54   3.098  -0.662  -2.580
  405   1HG1  VAL  54          HG12      VAL  54   4.421  -1.855  -0.766
  406   2HG1  VAL  54          HG11      VAL  54   5.879  -1.264  -1.552
  407   3HG1  VAL  54          HG13      VAL  54   4.705  -0.127  -0.898
  408   1HG2  VAL  54          HG22      VAL  54   5.761  -0.700  -4.020
  409   2HG2  VAL  54          HG21      VAL  54   4.252   0.010  -4.566
  410   3HG2  VAL  54          HG23      VAL  54   5.130   0.741  -3.234
  411    H    THR  55           HN       THR  55   5.798  -2.521  -5.031
  412    HA   THR  55           HA       THR  55   7.753  -3.946  -3.286
  413    HB   THR  55           HB       THR  55   7.308  -4.774  -6.176
  414    HG1  THR  55           HG1      THR  55   5.987  -6.368  -5.234
  415   1HG2  THR  55          HG23      THR  55   9.192  -5.508  -4.140
  416   2HG2  THR  55          HG22      THR  55   8.049  -6.838  -4.308
  417   3HG2  THR  55          HG21      THR  55   8.956  -6.277  -5.702
  418    H    GLU  56           HN       GLU  56   9.510  -2.694  -3.218
  419    HA   GLU  56           HA       GLU  56  10.064  -0.551  -5.002
  420   1HB   GLU  56           HB2      GLU  56  11.119  -1.415  -2.631
  421   2HB   GLU  56           HB1      GLU  56  12.418  -1.809  -3.748
  422   1HG   GLU  56           HG2      GLU  56  12.321   0.521  -4.635
  423   2HG   GLU  56           HG1      GLU  56  11.078   0.900  -3.447
   
  Start of MODEL          56
 Raw file had 423 H/Q atoms
  Entry Start of MODEL   56
    1   1H    MET   1           HT3      MET   1 -13.319  -1.905   5.060
    2   2H    MET   1           HT2      MET   1 -13.959  -0.728   6.104
    3   3H    MET   1           HT1      MET   1 -14.942  -1.425   4.906
    4    HA   MET   1           HA       MET   1 -13.686  -0.400   3.172
    5   1HB   MET   1           HB2      MET   1 -13.992   1.844   5.127
    6   2HB   MET   1           HB1      MET   1 -14.482   1.764   3.439
    7   1HG   MET   1           HG2      MET   1 -16.145  -0.033   4.175
    8   2HG   MET   1           HG1      MET   1 -15.786   0.438   5.814
    9   1HE   MET   1           HE3      MET   1 -17.187   1.256   2.459
   10   2HE   MET   1           HE2      MET   1 -18.484   0.549   3.422
   11   3HE   MET   1           HE1      MET   1 -18.621   2.210   2.843
   12    H    THR   2           HN       THR   2 -11.657  -1.598   4.636
   13    HA   THR   2           HA       THR   2  -9.570   0.505   4.436
   14    HB   THR   2           HB       THR   2  -9.702  -1.362   6.833
   15    HG1  THR   2           HG1      THR   2 -10.430   0.633   7.823
   16   1HG2  THR   2          HG22      THR   2  -7.553   0.029   5.937
   17   2HG2  THR   2          HG21      THR   2  -8.385   1.317   6.804
   18   3HG2  THR   2          HG23      THR   2  -7.899  -0.146   7.655
   19    OH   TYR   3           OH       TYR   3 -11.396   0.566  -1.100
   20    H    TYR   3           HN       TYR   3  -7.945  -0.255   3.204
   21    HA   TYR   3           HA       TYR   3  -7.775  -3.187   2.766
   22   1HB   TYR   3           HB2      TYR   3  -6.050  -1.147   1.376
   23   2HB   TYR   3           HB1      TYR   3  -6.578  -2.723   0.795
   24    HD1  TYR   3           HD1      TYR   3  -7.704   0.734   1.517
   25    HD2  TYR   3           HD2      TYR   3  -8.728  -2.990  -0.258
   26    HE1  TYR   3           HE1      TYR   3  -9.657   1.770   0.460
   27    HE2  TYR   3           HE2      TYR   3 -10.678  -1.953  -1.319
   28    HH   TYR   3           HH       TYR   3 -12.136   0.501  -0.491
   29    H    LYS   4           HN       LYS   4  -5.432  -4.004   2.501
   30    HA   LYS   4           HA       LYS   4  -3.805  -2.978   4.793
   31   1HB   LYS   4           HB2      LYS   4  -5.004  -5.218   5.105
   32   2HB   LYS   4           HB1      LYS   4  -3.939  -5.858   3.876
   33   1HG   LYS   4           HG2      LYS   4  -2.570  -4.373   6.065
   34   2HG   LYS   4           HG1      LYS   4  -3.344  -5.873   6.546
   35   1HD   LYS   4           HD2      LYS   4  -1.636  -5.835   4.071
   36   2HD   LYS   4           HD1      LYS   4  -0.866  -5.907   5.650
   37   1HE   LYS   4           HE2      LYS   4  -3.125  -7.779   4.949
   38   2HE   LYS   4           HE1      LYS   4  -1.469  -8.154   4.492
   39   1HZ   LYS   4           HZ2      LYS   4  -1.193  -7.456   7.065
   40   2HZ   LYS   4           HZ1      LYS   4  -2.720  -8.198   7.086
   41   3HZ   LYS   4           HZ3      LYS   4  -1.368  -9.051   6.513
   42    H    LEU   5           HN       LEU   5  -1.962  -2.113   4.041
   43    HA   LEU   5           HA       LEU   5  -0.935  -2.862   1.400
   44   1HB   LEU   5           HB2      LEU   5  -0.816  -0.524   1.984
   45   2HB   LEU   5           HB1      LEU   5  -0.032  -0.878   3.514
   46    HG   LEU   5           HG       LEU   5   1.975  -1.746   2.185
   47   1HD1  LEU   5          HD12      LEU   5   0.418  -0.498  -0.101
   48   2HD1  LEU   5          HD11      LEU   5   2.095  -1.016  -0.192
   49   3HD1  LEU   5          HD13      LEU   5   0.822  -2.204   0.052
   50   1HD2  LEU   5          HD21      LEU   5   1.723   0.609   3.127
   51   2HD2  LEU   5          HD23      LEU   5   2.856   0.438   1.790
   52   3HD2  LEU   5          HD22      LEU   5   1.256   1.103   1.506
   53    H    ILE   6           HN       ILE   6   1.110  -3.750   0.997
   54    HA   ILE   6           HA       ILE   6   2.515  -4.994   3.279
   55    HB   ILE   6           HB       ILE   6   1.828  -6.255   0.621
   56   1HG1  ILE   6          HG12      ILE   6   1.352  -7.419   3.353
   57   2HG1  ILE   6          HG11      ILE   6   0.252  -6.197   2.736
   58   1HG2  ILE   6          HG21      ILE   6   3.990  -6.800   2.587
   59   2HG2  ILE   6          HG23      ILE   6   3.098  -8.208   2.025
   60   3HG2  ILE   6          HG22      ILE   6   3.921  -7.171   0.867
   61   1HD1  ILE   6           HD3      ILE   6   0.997  -8.662   1.141
   62   2HD1  ILE   6           HD2      ILE   6  -0.397  -8.610   2.215
   63   3HD1  ILE   6           HD1      ILE   6  -0.314  -7.532   0.826
   64    H    LEU   7           HN       LEU   7   4.304  -3.744   3.357
   65    HA   LEU   7           HA       LEU   7   5.551  -2.708   0.934
   66   1HB   LEU   7           HB2      LEU   7   6.243  -2.575   3.856
   67   2HB   LEU   7           HB1      LEU   7   7.312  -1.924   2.620
   68    HG   LEU   7           HG       LEU   7   4.433  -1.171   2.435
   69   1HD1  LEU   7          HD11      LEU   7   6.331  -0.070   4.534
   70   2HD1  LEU   7          HD13      LEU   7   4.787   0.658   4.101
   71   3HD1  LEU   7          HD12      LEU   7   4.830  -0.938   4.842
   72   1HD2  LEU   7          HD23      LEU   7   6.366  -0.438   0.904
   73   2HD2  LEU   7          HD22      LEU   7   5.349   0.848   1.545
   74   3HD2  LEU   7          HD21      LEU   7   6.927   0.535   2.259
   75    H    ASN   8           HN       ASN   8   6.720  -3.965  -0.347
   76    HA   ASN   8           HA       ASN   8   8.364  -6.125   0.887
   77   1HB   ASN   8           HB2      ASN   8   6.751  -5.893  -1.523
   78   2HB   ASN   8           HB1      ASN   8   8.370  -6.438  -1.900
   79   1HD2  ASN   8          HD22      ASN   8   5.879  -9.127  -0.627
   80   2HD2  ASN   8          HD21      ASN   8   5.522  -7.737  -1.523
   81    H    GLY   9           HN       GLY   9   9.249  -3.476   1.086
   82   1HA   GLY   9           HA2      GLY   9  10.945  -2.561  -0.979
   83   2HA   GLY   9           HA1      GLY   9  11.204  -2.219   0.726
   84    H    LYS  10           HN       LYS  10  13.074  -2.931  -1.501
   85    HA   LYS  10           HA       LYS  10  14.071  -5.589  -1.081
   86   1HB   LYS  10           HB2      LYS  10  15.393  -3.082  -2.141
   87   2HB   LYS  10           HB1      LYS  10  16.175  -4.658  -2.134
   88   1HG   LYS  10           HG2      LYS  10  14.228  -5.572  -3.431
   89   2HG   LYS  10           HG1      LYS  10  13.575  -3.940  -3.528
   90   1HD   LYS  10           HD2      LYS  10  14.872  -3.569  -5.337
   91   2HD   LYS  10           HD1      LYS  10  16.295  -3.764  -4.319
   92   1HE   LYS  10           HE2      LYS  10  14.803  -5.974  -5.769
   93   2HE   LYS  10           HE1      LYS  10  16.403  -5.362  -6.169
   94   1HZ   LYS  10           HZ1      LYS  10  16.099  -6.229  -3.435
   95   2HZ   LYS  10           HZ3      LYS  10  15.932  -7.468  -4.586
   96   3HZ   LYS  10           HZ2      LYS  10  17.349  -6.533  -4.543
   97    H    THR  11           HN       THR  11  15.033  -2.445   0.242
   98    HA   THR  11           HA       THR  11  16.802  -3.835   2.182
   99    HB   THR  11           HB       THR  11  17.265  -1.236   2.714
  100    HG1  THR  11           HG1      THR  11  15.440  -0.920   1.135
  101   1HG2  THR  11          HG21      THR  11  18.226  -2.975   0.454
  102   2HG2  THR  11          HG23      THR  11  18.701  -1.279   0.465
  103   3HG2  THR  11          HG22      THR  11  19.144  -2.327   1.810
  104    H    LEU  12           HN       LEU  12  13.650  -3.125   2.025
  105    HA   LEU  12           HA       LEU  12  13.405  -3.048   4.955
  106   1HB   LEU  12           HB2      LEU  12  13.638  -0.627   4.055
  107   2HB   LEU  12           HB1      LEU  12  12.009  -0.860   3.430
  108    HG   LEU  12           HG       LEU  12  11.700  -1.802   5.971
  109   1HD1  LEU  12          HD13      LEU  12  14.053  -1.168   6.526
  110   2HD1  LEU  12          HD12      LEU  12  13.672   0.505   6.130
  111   3HD1  LEU  12          HD11      LEU  12  12.883  -0.278   7.495
  112   1HD2  LEU  12          HD23      LEU  12  11.421   0.974   4.809
  113   2HD2  LEU  12          HD22      LEU  12  10.161  -0.224   5.088
  114   3HD2  LEU  12          HD21      LEU  12  10.895   0.615   6.451
  115    H    LYS  13           HN       LYS  13  11.321  -3.612   5.690
  116    HA   LYS  13           HA       LYS  13   9.250  -4.191   3.658
  117   1HB   LYS  13           HB2      LYS  13  10.376  -6.325   5.490
  118   2HB   LYS  13           HB1      LYS  13   9.006  -6.529   4.405
  119   1HG   LYS  13           HG2      LYS  13  10.571  -5.833   2.506
  120   2HG   LYS  13           HG1      LYS  13  11.894  -5.998   3.656
  121   1HD   LYS  13           HD2      LYS  13  10.606  -8.354   4.077
  122   2HD   LYS  13           HD1      LYS  13  10.225  -8.097   2.378
  123   1HE   LYS  13           HE2      LYS  13  13.009  -8.057   3.592
  124   2HE   LYS  13           HE1      LYS  13  12.337  -9.355   2.615
  125   1HZ   LYS  13           HZ3      LYS  13  11.952  -7.408   0.938
  126   2HZ   LYS  13           HZ2      LYS  13  13.223  -6.687   1.805
  127   3HZ   LYS  13           HZ1      LYS  13  13.457  -8.188   1.043
  128    H    GLY  14           HN       GLY  14   7.216  -3.962   4.464
  129   1HA   GLY  14           HA2      GLY  14   6.672  -4.209   7.328
  130   2HA   GLY  14           HA1      GLY  14   6.618  -2.547   6.747
  131    H    GLU  15           HN       GLU  15   4.347  -2.652   7.411
  132    HA   GLU  15           HA       GLU  15   2.587  -3.078   5.202
  133   1HB   GLU  15           HB2      GLU  15   1.227  -4.940   6.285
  134   2HB   GLU  15           HB1      GLU  15   2.774  -5.430   5.605
  135   1HG   GLU  15           HG2      GLU  15   3.543  -6.069   7.639
  136   2HG   GLU  15           HG1      GLU  15   3.082  -4.530   8.361
  137    H    THR  16           HN       THR  16   0.776  -1.889   5.522
  138    HA   THR  16           HA       THR  16  -0.194  -1.387   8.268
  139    HB   THR  16           HB       THR  16   1.418   0.438   8.075
  140    HG1  THR  16           HG1      THR  16  -0.108   2.074   8.246
  141   1HG2  THR  16          HG23      THR  16   0.904   0.277   5.318
  142   2HG2  THR  16          HG22      THR  16   0.139   1.782   5.810
  143   3HG2  THR  16          HG21      THR  16   1.855   1.526   6.110
  144    H    THR  17           HN       THR  17  -2.325  -0.512   8.317
  145    HA   THR  17           HA       THR  17  -3.777  -0.870   5.734
  146    HB   THR  17           HB       THR  17  -5.771  -1.382   7.105
  147    HG1  THR  17           HG1      THR  17  -5.385  -0.057   8.835
  148   1HG2  THR  17          HG22      THR  17  -3.200  -2.833   7.713
  149   2HG2  THR  17          HG21      THR  17  -4.625  -3.210   8.672
  150   3HG2  THR  17          HG23      THR  17  -4.650  -3.444   6.928
  151    H    THR  18           HN       THR  18  -5.062   0.710   4.930
  152    HA   THR  18           HA       THR  18  -5.284   3.239   6.522
  153    HB   THR  18           HB       THR  18  -3.586   3.218   4.505
  154    HG1  THR  18           HG1      THR  18  -4.982   4.947   5.737
  155   1HG2  THR  18          HG23      THR  18  -5.602   2.272   3.015
  156   2HG2  THR  18          HG22      THR  18  -6.067   3.971   2.979
  157   3HG2  THR  18          HG21      THR  18  -4.498   3.472   2.354
  158    H    GLU  19           HN       GLU  19  -7.185   4.408   6.282
  159    HA   GLU  19           HA       GLU  19  -9.466   2.834   5.253
  160   1HB   GLU  19           HB2      GLU  19  -9.382   5.449   6.784
  161   2HB   GLU  19           HB1      GLU  19 -10.844   4.551   6.389
  162   1HG   GLU  19           HG2      GLU  19 -10.109   2.655   7.720
  163   2HG   GLU  19           HG1      GLU  19  -8.533   3.394   7.985
  164    H    ALA  20           HN       ALA  20 -10.259   3.168   3.278
  165    HA   ALA  20           HA       ALA  20 -10.160   5.910   2.124
  166   1HB   ALA  20           HB2      ALA  20  -8.537   3.715   1.266
  167   2HB   ALA  20           HB1      ALA  20  -9.713   4.062   0.001
  168   3HB   ALA  20           HB3      ALA  20  -8.637   5.332   0.574
  169    H    VAL  21           HN       VAL  21 -11.705   6.236   0.403
  170    HA   VAL  21           HA       VAL  21 -14.122   4.587   0.806
  171    HB   VAL  21           HB       VAL  21 -14.636   6.883   0.831
  172   1HG1  VAL  21          HG11      VAL  21 -12.495   6.987  -1.241
  173   2HG1  VAL  21          HG13      VAL  21 -13.774   8.191  -1.367
  174   3HG1  VAL  21          HG12      VAL  21 -12.807   8.083   0.101
  175   1HG2  VAL  21          HG21      VAL  21 -15.914   5.389  -0.902
  176   2HG2  VAL  21          HG23      VAL  21 -16.132   7.134  -0.972
  177   3HG2  VAL  21          HG22      VAL  21 -15.046   6.336  -2.105
  178    H    ASP  22           HN       ASP  22 -11.656   5.144  -1.567
  179    HA   ASP  22           HA       ASP  22 -12.833   2.990  -3.229
  180   1HB   ASP  22           HB2      ASP  22 -12.586   4.304  -5.298
  181   2HB   ASP  22           HB1      ASP  22 -13.704   5.095  -4.190
  182    H    ALA  23           HN       ALA  23 -11.267   2.360  -5.008
  183    HA   ALA  23           HA       ALA  23  -8.701   1.811  -3.836
  184   1HB   ALA  23           HB2      ALA  23  -9.916   1.407  -6.551
  185   2HB   ALA  23           HB1      ALA  23  -8.196   1.119  -6.314
  186   3HB   ALA  23           HB3      ALA  23  -9.378   0.200  -5.388
  187    H    ALA  24           HN       ALA  24  -9.904   4.465  -5.635
  188    HA   ALA  24           HA       ALA  24  -7.438   5.337  -6.835
  189   1HB   ALA  24           HB1      ALA  24 -10.022   6.139  -7.044
  190   2HB   ALA  24           HB3      ALA  24  -9.381   7.412  -6.011
  191   3HB   ALA  24           HB2      ALA  24  -8.658   7.113  -7.588
  192    H    THR  25           HN       THR  25  -9.148   6.752  -4.038
  193    HA   THR  25           HA       THR  25  -6.908   8.288  -3.173
  194    HB   THR  25           HB       THR  25  -8.918   9.010  -2.166
  195    HG1  THR  25           HG1      THR  25  -7.101   8.447  -0.690
  196   1HG2  THR  25          HG23      THR  25  -9.433   6.059  -1.905
  197   2HG2  THR  25          HG22      THR  25 -10.184   7.148  -0.743
  198   3HG2  THR  25          HG21      THR  25 -10.526   7.321  -2.461
  199    H    ALA  26           HN       ALA  26  -7.543   4.935  -2.955
  200    HA   ALA  26           HA       ALA  26  -5.902   4.462  -0.590
  201   1HB   ALA  26           HB2      ALA  26  -7.734   2.920  -1.463
  202   2HB   ALA  26           HB1      ALA  26  -6.607   2.448  -2.730
  203   3HB   ALA  26           HB3      ALA  26  -6.217   2.133  -1.041
  204    H    GLU  27           HN       GLU  27  -5.408   4.415  -4.080
  205    HA   GLU  27           HA       GLU  27  -2.771   3.304  -4.046
  206   1HB   GLU  27           HB2      GLU  27  -4.282   5.041  -5.990
  207   2HB   GLU  27           HB1      GLU  27  -2.607   4.603  -6.283
  208   1HG   GLU  27           HG2      GLU  27  -3.244   2.184  -6.031
  209   2HG   GLU  27           HG1      GLU  27  -4.926   2.687  -5.893
  210    H    LYS  28           HN       LYS  28  -3.941   6.651  -3.959
  211    HA   LYS  28           HA       LYS  28  -1.233   7.740  -3.850
  212   1HB   LYS  28           HB2      LYS  28  -2.268   9.881  -3.748
  213   2HB   LYS  28           HB1      LYS  28  -3.291   8.916  -4.805
  214   1HG   LYS  28           HG2      LYS  28  -4.617   8.326  -2.663
  215   2HG   LYS  28           HG1      LYS  28  -3.775   9.680  -1.921
  216   1HD   LYS  28           HD2      LYS  28  -5.465   9.813  -4.443
  217   2HD   LYS  28           HD1      LYS  28  -5.947  10.403  -2.857
  218   1HE   LYS  28           HE2      LYS  28  -3.593  11.699  -3.089
  219   2HE   LYS  28           HE1      LYS  28  -3.996  11.554  -4.796
  220   1HZ   LYS  28           HZ1      LYS  28  -6.329  12.343  -3.744
  221   2HZ   LYS  28           HZ3      LYS  28  -5.228  13.154  -2.737
  222   3HZ   LYS  28           HZ2      LYS  28  -5.174  13.392  -4.419
  223    H    VAL  29           HN       VAL  29  -3.840   7.165  -1.520
  224    HA   VAL  29           HA       VAL  29  -2.706   8.460   0.719
  225    HB   VAL  29           HB       VAL  29  -4.461   6.027   0.457
  226   1HG1  VAL  29          HG13      VAL  29  -3.170   7.202   2.917
  227   2HG1  VAL  29          HG12      VAL  29  -4.743   6.420   3.021
  228   3HG1  VAL  29          HG11      VAL  29  -3.342   5.509   2.471
  229   1HG2  VAL  29          HG23      VAL  29  -5.087   8.603   0.155
  230   2HG2  VAL  29          HG22      VAL  29  -6.183   7.503   0.984
  231   3HG2  VAL  29          HG21      VAL  29  -5.128   8.562   1.914
  232    H    PHE  30           HN       PHE  30  -2.397   5.027  -0.171
  233    HA   PHE  30           HA       PHE  30  -0.433   4.435   1.815
  234   1HB   PHE  30           HB2      PHE  30  -1.321   3.125  -0.732
  235   2HB   PHE  30           HB1      PHE  30   0.136   2.541   0.060
  236    HD1  PHE  30           HD1      PHE  30  -0.223   2.374   2.799
  237    HD2  PHE  30           HD2      PHE  30  -3.271   1.971  -0.157
  238    HE1  PHE  30           HE1      PHE  30  -1.615   1.132   4.394
  239    HE2  PHE  30           HE2      PHE  30  -4.636   0.705   1.440
  240    HZ   PHE  30           HZ       PHE  30  -3.806   0.264   3.703
  241    H    LYS  31           HN       LYS  31  -0.107   5.269  -1.620
  242    HA   LYS  31           HA       LYS  31   2.686   5.089  -1.853
  243   1HB   LYS  31           HB2      LYS  31   1.131   5.591  -3.729
  244   2HB   LYS  31           HB1      LYS  31   0.920   7.217  -3.085
  245   1HG   LYS  31           HG2      LYS  31   2.812   7.886  -4.115
  246   2HG   LYS  31           HG1      LYS  31   3.732   6.669  -3.236
  247   1HD   LYS  31           HD2      LYS  31   3.100   4.974  -4.931
  248   2HD   LYS  31           HD1      LYS  31   2.195   6.198  -5.813
  249   1HE   LYS  31           HE2      LYS  31   4.762   7.301  -5.348
  250   2HE   LYS  31           HE1      LYS  31   5.033   5.646  -5.880
  251   1HZ   LYS  31           HZ3      LYS  31   3.086   7.287  -7.328
  252   2HZ   LYS  31           HZ2      LYS  31   4.741   7.565  -7.592
  253   3HZ   LYS  31           HZ1      LYS  31   4.078   6.031  -7.895
  254    H    GLN  32           HN       GLN  32   0.721   7.655  -0.460
  255    HA   GLN  32           HA       GLN  32   2.868   9.529  -0.076
  256   1HB   GLN  32           HB2      GLN  32   0.502  10.197   0.070
  257   2HB   GLN  32           HB1      GLN  32   0.294   9.180   1.491
  258   1HG   GLN  32           HG2      GLN  32   1.789  10.535   2.791
  259   2HG   GLN  32           HG1      GLN  32   2.362  11.394   1.363
  260   1HE2  GLN  32          HE22      GLN  32  -0.533  13.120   3.324
  261   2HE2  GLN  32          HE21      GLN  32   0.716  12.158   3.954
  262    OH   TYR  33           OH       TYR  33   4.773   2.858   8.219
  263    H    TYR  33           HN       TYR  33   1.719   6.761   1.700
  264    HA   TYR  33           HA       TYR  33   3.279   7.327   4.093
  265   1HB   TYR  33           HB2      TYR  33   1.261   5.951   4.254
  266   2HB   TYR  33           HB1      TYR  33   1.948   4.781   3.132
  267    HD1  TYR  33           HD1      TYR  33   4.025   3.515   3.805
  268    HD2  TYR  33           HD2      TYR  33   1.870   5.918   6.573
  269    HE1  TYR  33           HE1      TYR  33   5.144   2.377   5.661
  270    HE2  TYR  33           HE2      TYR  33   2.989   4.778   8.433
  271    HH   TYR  33           HH       TYR  33   4.901   3.496   8.924
  272    H    ALA  34           HN       ALA  34   3.521   4.832   1.574
  273    HA   ALA  34           HA       ALA  34   5.955   3.679   2.248
  274   1HB   ALA  34           HB1      ALA  34   4.296   3.582   0.048
  275   2HB   ALA  34           HB3      ALA  34   5.773   4.266  -0.624
  276   3HB   ALA  34           HB2      ALA  34   5.818   2.711   0.200
  277    H    ASN  35           HN       ASN  35   5.375   6.849   0.958
  278    HA   ASN  35           HA       ASN  35   8.036   7.426   0.059
  279   1HB   ASN  35           HB2      ASN  35   6.064   8.807  -0.537
  280   2HB   ASN  35           HB1      ASN  35   5.945   9.337   1.140
  281   1HD2  ASN  35          HD22      ASN  35   8.515  11.726   0.840
  282   2HD2  ASN  35          HD21      ASN  35   7.349  11.001   1.836
  283    H    ASP  36           HN       ASP  36   6.392   8.040   3.144
  284    HA   ASP  36           HA       ASP  36   8.663   9.261   4.417
  285   1HB   ASP  36           HB2      ASP  36   6.162   7.934   5.464
  286   2HB   ASP  36           HB1      ASP  36   7.393   8.576   6.550
  287    H    ASN  37           HN       ASN  37   8.247   6.168   3.332
  288    HA   ASN  37           HA       ASN  37  10.024   5.002   5.443
  289   1HB   ASN  37           HB2      ASN  37   8.095   3.714   3.503
  290   2HB   ASN  37           HB1      ASN  37   9.259   2.791   4.451
  291   1HD2  ASN  37          HD22      ASN  37   6.381   4.845   6.569
  292   2HD2  ASN  37          HD21      ASN  37   7.047   5.556   5.178
  293    H    GLY  38           HN       GLY  38   9.649   5.629   2.033
  294   1HA   GLY  38           HA2      GLY  38  11.555   5.944   0.570
  295   2HA   GLY  38           HA1      GLY  38  12.513   4.935   1.649
  296    H    VAL  39           HN       VAL  39   9.421   4.510  -0.068
  297    HA   VAL  39           HA       VAL  39  10.590   2.168  -1.480
  298    HB   VAL  39           HB       VAL  39   8.091   2.127   0.227
  299   1HG1  VAL  39          HG11      VAL  39   9.015   0.383  -2.038
  300   2HG1  VAL  39          HG13      VAL  39   8.185  -0.367  -0.678
  301   3HG1  VAL  39          HG12      VAL  39   7.381   0.886  -1.619
  302   1HG2  VAL  39          HG21      VAL  39  10.641   0.472   0.223
  303   2HG2  VAL  39          HG23      VAL  39  10.223   1.709   1.405
  304   3HG2  VAL  39          HG22      VAL  39   9.275   0.230   1.307
  305    H    ASP  40           HN       ASP  40  10.339   2.755  -3.552
  306    HA   ASP  40           HA       ASP  40   7.607   3.359  -4.507
  307   1HB   ASP  40           HB2      ASP  40   9.948   5.208  -5.044
  308   2HB   ASP  40           HB1      ASP  40   8.330   5.372  -5.724
  309    H    GLY  41           HN       GLY  41   7.285   2.035  -6.171
  310   1HA   GLY  41           HA2      GLY  41   9.042   1.927  -8.446
  311   2HA   GLY  41           HA1      GLY  41   9.252   0.483  -7.460
  312    H    GLU  42           HN       GLU  42   7.692  -1.085  -7.481
  313    HA   GLU  42           HA       GLU  42   5.520  -0.721  -9.492
  314   1HB   GLU  42           HB2      GLU  42   6.532  -3.255  -8.200
  315   2HB   GLU  42           HB1      GLU  42   5.416  -3.151  -9.555
  316   1HG   GLU  42           HG2      GLU  42   7.179  -3.096 -10.968
  317   2HG   GLU  42           HG1      GLU  42   7.697  -1.582 -10.231
  318    CH2  TRP  43           CH2      TRP  43   2.205   2.510  -2.266
  319    H    TRP  43           HN       TRP  43   3.391  -0.967  -8.946
  320    HA   TRP  43           HA       TRP  43   2.795  -1.438  -6.046
  321   1HB   TRP  43           HB2      TRP  43   1.771   0.630  -7.962
  322   2HB   TRP  43           HB1      TRP  43   0.803   0.146  -6.580
  323    HD1  TRP  43           HD1      TRP  43   4.393   1.354  -7.364
  324    HE1  TRP  43           HE1      TRP  43   5.133   2.731  -5.360
  325    HE3  TRP  43           HE3      TRP  43   0.449   0.631  -4.422
  326    HZ2  TRP  43           HZ2      TRP  43   4.116   3.377  -2.648
  327    HZ3  TRP  43           HZ3      TRP  43   0.313   1.536  -2.156
  328    HH2  TRP  43           HH2      TRP  43   2.145   2.900  -1.262
  329    H    THR  44           HN       THR  44   1.259  -2.885  -5.592
  330    HA   THR  44           HA       THR  44  -0.393  -3.943  -7.856
  331    HB   THR  44           HB       THR  44  -0.227  -6.184  -6.542
  332    HG1  THR  44           HG1      THR  44   2.088  -5.728  -5.490
  333   1HG2  THR  44          HG23      THR  44   1.173  -5.537  -8.641
  334   2HG2  THR  44          HG22      THR  44   2.449  -5.130  -7.497
  335   3HG2  THR  44          HG21      THR  44   1.845  -6.780  -7.591
  336    OH   TYR  45           OH       TYR  45  -8.871  -1.300  -3.050
  337    H    TYR  45           HN       TYR  45  -2.443  -4.782  -7.301
  338    HA   TYR  45           HA       TYR  45  -3.527  -3.890  -4.650
  339   1HB   TYR  45           HB2      TYR  45  -4.086  -2.432  -6.725
  340   2HB   TYR  45           HB1      TYR  45  -5.094  -3.785  -7.243
  341    HD1  TYR  45           HD1      TYR  45  -6.568  -4.696  -4.913
  342    HD2  TYR  45           HD2      TYR  45  -5.369  -0.730  -5.841
  343    HE1  TYR  45           HE1      TYR  45  -8.321  -3.829  -3.458
  344    HE2  TYR  45           HE2      TYR  45  -7.174   0.136  -4.439
  345    HH   TYR  45           HH       TYR  45  -8.527  -1.215  -2.159
  346    H    ASP  46           HN       ASP  46  -4.509  -5.507  -3.586
  347    HA   ASP  46           HA       ASP  46  -5.206  -7.989  -5.099
  348   1HB   ASP  46           HB2      ASP  46  -3.564  -7.975  -3.088
  349   2HB   ASP  46           HB1      ASP  46  -5.012  -7.791  -2.103
  350    H    ASP  47           HN       ASP  47  -7.183  -6.726  -5.756
  351    HA   ASP  47           HA       ASP  47  -9.185  -5.992  -3.841
  352   1HB   ASP  47           HB2      ASP  47  -9.216  -5.181  -6.164
  353   2HB   ASP  47           HB1      ASP  47  -9.512  -6.819  -6.738
  354    H    ALA  48           HN       ALA  48  -7.935  -8.939  -4.247
  355    HA   ALA  48           HA       ALA  48 -10.454 -10.470  -4.211
  356   1HB   ALA  48           HB3      ALA  48  -7.723 -11.025  -4.851
  357   2HB   ALA  48           HB2      ALA  48  -8.219 -12.110  -3.558
  358   3HB   ALA  48           HB1      ALA  48  -9.125 -12.068  -5.066
  359    H    THR  49           HN       THR  49  -8.305  -9.024  -1.977
  360    HA   THR  49           HA       THR  49  -9.847 -10.206   0.259
  361    HB   THR  49           HB       THR  49  -7.764 -10.853   1.492
  362    HG1  THR  49           HG1      THR  49  -6.035 -10.843  -0.442
  363   1HG2  THR  49          HG21      THR  49  -8.866 -12.487  -0.211
  364   2HG2  THR  49          HG23      THR  49  -7.575 -12.004  -1.305
  365   3HG2  THR  49          HG22      THR  49  -7.187 -12.800   0.216
  366    H    LYS  50           HN       LYS  50  -9.120  -7.526  -1.132
  367    HA   LYS  50           HA       LYS  50  -8.777  -5.306  -0.446
  368   1HB   LYS  50           HB2      LYS  50  -9.530  -6.268   2.313
  369   2HB   LYS  50           HB1      LYS  50  -9.801  -4.678   1.607
  370   1HG   LYS  50           HG2      LYS  50 -11.172  -6.030  -0.195
  371   2HG   LYS  50           HG1      LYS  50 -11.241  -7.261   1.061
  372   1HD   LYS  50           HD2      LYS  50 -12.166  -5.583   2.641
  373   2HD   LYS  50           HD1      LYS  50 -12.121  -4.369   1.367
  374   1HE   LYS  50           HE2      LYS  50 -13.602  -5.881  -0.016
  375   2HE   LYS  50           HE1      LYS  50 -13.758  -6.923   1.392
  376   1HZ   LYS  50           HZ3      LYS  50 -14.280  -4.306   2.200
  377   2HZ   LYS  50           HZ2      LYS  50 -15.179  -4.592   0.788
  378   3HZ   LYS  50           HZ1      LYS  50 -15.354  -5.618   2.130
  379    H    THR  51           HN       THR  51  -6.456  -6.344  -0.741
  380    HA   THR  51           HA       THR  51  -4.886  -5.458   1.639
  381    HB   THR  51           HB       THR  51  -4.530  -8.110   0.159
  382    HG1  THR  51           HG1      THR  51  -6.019  -8.300   1.730
  383   1HG2  THR  51          HG22      THR  51  -2.438  -6.631   1.254
  384   2HG2  THR  51          HG21      THR  51  -2.991  -7.581   2.621
  385   3HG2  THR  51          HG23      THR  51  -2.473  -8.383   1.147
  386    H    PHE  52           HN       PHE  52  -3.653  -3.802   0.858
  387    HA   PHE  52           HA       PHE  52  -2.998  -3.639  -1.984
  388   1HB   PHE  52           HB2      PHE  52  -2.950  -1.872   0.309
  389   2HB   PHE  52           HB1      PHE  52  -1.452  -1.768  -0.605
  390    HD1  PHE  52           HD1      PHE  52  -1.495  -1.096  -3.015
  391    HD2  PHE  52           HD2      PHE  52  -5.042  -1.209  -0.698
  392    HE1  PHE  52           HE1      PHE  52  -2.682   0.208  -4.739
  393    HE2  PHE  52           HE2      PHE  52  -6.181   0.186  -2.333
  394    HZ   PHE  52           HZ       PHE  52  -4.987   0.944  -4.336
  395    H    THR  53           HN       THR  53  -0.687  -3.377  -2.675
  396    HA   THR  53           HA       THR  53   1.365  -4.428  -0.877
  397    HB   THR  53           HB       THR  53   0.489  -6.066  -3.285
  398    HG1  THR  53           HG1      THR  53   0.690  -6.994  -0.673
  399   1HG2  THR  53          HG22      THR  53   2.931  -6.035  -1.578
  400   2HG2  THR  53          HG21      THR  53   2.167  -7.610  -1.772
  401   3HG2  THR  53          HG23      THR  53   2.714  -6.716  -3.187
  402    H    VAL  54           HN       VAL  54   3.311  -3.648  -1.433
  403    HA   VAL  54           HA       VAL  54   3.711  -2.694  -4.237
  404    HB   VAL  54           HB       VAL  54   3.068  -0.784  -2.721
  405   1HG1  VAL  54          HG12      VAL  54   4.217  -1.849  -0.726
  406   2HG1  VAL  54          HG11      VAL  54   5.744  -1.309  -1.413
  407   3HG1  VAL  54          HG13      VAL  54   4.523  -0.132  -0.940
  408   1HG2  VAL  54          HG23      VAL  54   5.863  -0.856  -3.895
  409   2HG2  VAL  54          HG22      VAL  54   4.402  -0.229  -4.642
  410   3HG2  VAL  54          HG21      VAL  54   5.123   0.614  -3.280
  411    H    THR  55           HN       THR  55   5.885  -2.744  -4.907
  412    HA   THR  55           HA       THR  55   7.872  -3.885  -3.018
  413    HB   THR  55           HB       THR  55   7.193  -5.196  -5.687
  414    HG1  THR  55           HG1      THR  55   5.903  -6.322  -4.443
  415   1HG2  THR  55          HG21      THR  55   9.418  -5.456  -3.732
  416   2HG2  THR  55          HG23      THR  55   8.619  -6.970  -4.152
  417   3HG2  THR  55          HG22      THR  55   9.346  -5.979  -5.410
  418    H    GLU  56           HN       GLU  56   9.572  -2.545  -3.192
  419    HA   GLU  56           HA       GLU  56  10.010  -0.742  -5.355
  420   1HB   GLU  56           HB2      GLU  56  11.152  -1.189  -2.857
  421   2HB   GLU  56           HB1      GLU  56  12.466  -1.515  -3.978
  422   1HG   GLU  56           HG2      GLU  56  10.746   0.995  -3.992
  423   2HG   GLU  56           HG1      GLU  56  12.379   0.890  -3.341
   
  Start of MODEL          57
 Raw file had 423 H/Q atoms
  Entry Start of MODEL   57
    1   1H    MET   1           HT1      MET   1 -13.314  -1.248   5.011
    2   2H    MET   1           HT3      MET   1 -14.022   0.077   5.802
    3   3H    MET   1           HT2      MET   1 -14.853  -0.704   4.543
    4    HA   MET   1           HA       MET   1 -13.364   0.084   2.917
    5   1HB   MET   1           HB2      MET   1 -13.549   2.504   4.667
    6   2HB   MET   1           HB1      MET   1 -13.888   2.343   2.947
    7   1HG   MET   1           HG2      MET   1 -16.026   2.495   3.810
    8   2HG   MET   1           HG1      MET   1 -15.805   0.769   3.715
    9   1HE   MET   1           HE1      MET   1 -18.143   2.047   5.168
   10   2HE   MET   1           HE3      MET   1 -17.929   2.521   6.853
   11   3HE   MET   1           HE2      MET   1 -17.220   3.497   5.568
   12    H    THR   2           HN       THR   2 -11.576  -1.250   4.474
   13    HA   THR   2           HA       THR   2  -9.290   0.647   4.481
   14    HB   THR   2           HB       THR   2  -9.750  -1.278   6.787
   15    HG1  THR   2           HG1      THR   2 -11.145   0.199   7.375
   16   1HG2  THR   2          HG21      THR   2  -7.449   0.012   6.060
   17   2HG2  THR   2          HG23      THR   2  -8.230   1.269   7.013
   18   3HG2  THR   2          HG22      THR   2  -7.882  -0.297   7.737
   19    OH   TYR   3           OH       TYR   3 -11.451   0.372  -1.080
   20    H    TYR   3           HN       TYR   3  -7.746  -0.209   3.243
   21    HA   TYR   3           HA       TYR   3  -7.713  -3.164   2.850
   22   1HB   TYR   3           HB2      TYR   3  -6.028  -1.195   1.323
   23   2HB   TYR   3           HB1      TYR   3  -6.557  -2.793   0.828
   24    HD1  TYR   3           HD1      TYR   3  -7.845   0.617   1.644
   25    HD2  TYR   3           HD2      TYR   3  -8.579  -3.051  -0.367
   26    HE1  TYR   3           HE1      TYR   3  -9.836   1.588   0.596
   27    HE2  TYR   3           HE2      TYR   3 -10.565  -2.078  -1.424
   28    HH   TYR   3           HH       TYR   3 -11.382   0.230  -2.027
   29    H    LYS   4           HN       LYS   4  -5.485  -4.136   2.647
   30    HA   LYS   4           HA       LYS   4  -3.762  -3.074   4.848
   31   1HB   LYS   4           HB2      LYS   4  -4.900  -5.391   5.017
   32   2HB   LYS   4           HB1      LYS   4  -3.764  -5.902   3.788
   33   1HG   LYS   4           HG2      LYS   4  -2.108  -6.117   5.309
   34   2HG   LYS   4           HG1      LYS   4  -2.350  -4.480   5.893
   35   1HD   LYS   4           HD2      LYS   4  -2.750  -6.051   7.722
   36   2HD   LYS   4           HD1      LYS   4  -4.276  -5.298   7.270
   37   1HE   LYS   4           HE2      LYS   4  -3.892  -7.608   5.614
   38   2HE   LYS   4           HE1      LYS   4  -3.626  -8.083   7.285
   39   1HZ   LYS   4           HZ3      LYS   4  -5.852  -6.411   7.222
   40   2HZ   LYS   4           HZ2      LYS   4  -6.049  -7.559   5.985
   41   3HZ   LYS   4           HZ1      LYS   4  -5.794  -8.069   7.584
   42    H    LEU   5           HN       LEU   5  -1.858  -2.243   4.188
   43    HA   LEU   5           HA       LEU   5  -0.918  -2.837   1.465
   44   1HB   LEU   5           HB2      LEU   5  -0.753  -0.532   2.164
   45   2HB   LEU   5           HB1      LEU   5   0.065  -0.970   3.653
   46    HG   LEU   5           HG       LEU   5   2.023  -1.795   2.251
   47   1HD1  LEU   5          HD13      LEU   5   0.393  -0.507   0.040
   48   2HD1  LEU   5          HD12      LEU   5   2.086  -0.959  -0.111
   49   3HD1  LEU   5          HD11      LEU   5   0.866  -2.200   0.131
   50   1HD2  LEU   5          HD23      LEU   5   1.834   0.521   3.265
   51   2HD2  LEU   5          HD22      LEU   5   2.900   0.405   1.868
   52   3HD2  LEU   5          HD21      LEU   5   1.285   1.081   1.690
   53    H    ILE   6           HN       ILE   6   1.117  -3.747   1.001
   54    HA   ILE   6           HA       ILE   6   2.503  -5.121   3.223
   55    HB   ILE   6           HB       ILE   6   2.028  -6.311   0.481
   56   1HG1  ILE   6          HG12      ILE   6   0.622  -6.698   3.137
   57   2HG1  ILE   6          HG11      ILE   6  -0.100  -6.277   1.591
   58   1HG2  ILE   6          HG21      ILE   6   4.102  -6.974   1.877
   59   2HG2  ILE   6          HG23      ILE   6   2.965  -7.692   3.010
   60   3HG2  ILE   6          HG22      ILE   6   3.056  -8.285   1.354
   61   1HD1  ILE   6           HD2      ILE   6   0.810  -8.542   0.745
   62   2HD1  ILE   6           HD1      ILE   6   1.067  -8.935   2.442
   63   3HD1  ILE   6           HD3      ILE   6  -0.553  -8.599   1.855
   64    H    LEU   7           HN       LEU   7   4.330  -3.962   3.351
   65    HA   LEU   7           HA       LEU   7   5.582  -2.816   0.982
   66   1HB   LEU   7           HB2      LEU   7   6.290  -2.897   3.903
   67   2HB   LEU   7           HB1      LEU   7   7.410  -2.251   2.712
   68    HG   LEU   7           HG       LEU   7   4.619  -1.272   2.484
   69   1HD1  LEU   7          HD12      LEU   7   6.424  -0.485   4.800
   70   2HD1  LEU   7          HD11      LEU   7   4.930   0.335   4.358
   71   3HD1  LEU   7          HD13      LEU   7   4.884  -1.327   4.938
   72   1HD2  LEU   7          HD23      LEU   7   6.540  -0.463   1.103
   73   2HD2  LEU   7          HD22      LEU   7   5.804   0.832   2.042
   74   3HD2  LEU   7          HD21      LEU   7   7.322   0.114   2.571
   75    H    ASN   8           HN       ASN   8   6.764  -3.996  -0.384
   76    HA   ASN   8           HA       ASN   8   8.307  -6.303   0.721
   77   1HB   ASN   8           HB2      ASN   8   6.701  -5.892  -1.668
   78   2HB   ASN   8           HB1      ASN   8   8.307  -6.453  -2.080
   79   1HD2  ASN   8          HD22      ASN   8   5.742  -9.136  -0.911
   80   2HD2  ASN   8          HD21      ASN   8   5.398  -7.677  -1.694
   81    H    GLY   9           HN       GLY   9   9.221  -3.648   1.012
   82   1HA   GLY   9           HA2      GLY   9  11.027  -2.830  -1.036
   83   2HA   GLY   9           HA1      GLY   9  11.159  -2.358   0.651
   84    H    LYS  10           HN       LYS  10  13.135  -3.295  -1.451
   85    HA   LYS  10           HA       LYS  10  14.130  -5.876  -0.819
   86   1HB   LYS  10           HB2      LYS  10  15.275  -3.396  -2.001
   87   2HB   LYS  10           HB1      LYS  10  16.415  -4.607  -1.428
   88   1HG   LYS  10           HG2      LYS  10  15.562  -6.269  -2.890
   89   2HG   LYS  10           HG1      LYS  10  14.073  -5.376  -3.174
   90   1HD   LYS  10           HD2      LYS  10  15.565  -5.174  -5.124
   91   2HD   LYS  10           HD1      LYS  10  15.366  -3.608  -4.347
   92   1HE   LYS  10           HE2      LYS  10  17.768  -4.261  -4.966
   93   2HE   LYS  10           HE1      LYS  10  17.515  -3.741  -3.306
   94   1HZ   LYS  10           HZ3      LYS  10  17.141  -6.565  -3.720
   95   2HZ   LYS  10           HZ2      LYS  10  18.719  -6.027  -4.043
   96   3HZ   LYS  10           HZ1      LYS  10  18.021  -5.747  -2.521
   97    H    THR  11           HN       THR  11  15.190  -2.731   0.461
   98    HA   THR  11           HA       THR  11  16.583  -4.134   2.665
   99    HB   THR  11           HB       THR  11  17.139  -1.547   3.161
  100    HG1  THR  11           HG1      THR  11  16.944  -0.423   1.219
  101   1HG2  THR  11          HG21      THR  11  18.228  -3.407   1.058
  102   2HG2  THR  11          HG23      THR  11  18.810  -1.745   1.101
  103   3HG2  THR  11          HG22      THR  11  19.030  -2.792   2.500
  104    H    LEU  12           HN       LEU  12  13.520  -3.195   2.110
  105    HA   LEU  12           HA       LEU  12  13.005  -2.867   5.015
  106   1HB   LEU  12           HB2      LEU  12  13.236  -0.574   3.923
  107   2HB   LEU  12           HB1      LEU  12  11.794  -0.968   3.000
  108    HG   LEU  12           HG       LEU  12  10.587  -1.402   5.172
  109   1HD1  LEU  12          HD13      LEU  12  13.299  -0.873   6.202
  110   2HD1  LEU  12          HD12      LEU  12  12.052   0.069   7.008
  111   3HD1  LEU  12          HD11      LEU  12  11.946  -1.686   6.978
  112   1HD2  LEU  12          HD22      LEU  12  10.408   0.762   3.971
  113   2HD2  LEU  12          HD21      LEU  12  10.319   0.991   5.714
  114   3HD2  LEU  12          HD23      LEU  12  11.810   1.360   4.853
  115    H    LYS  13           HN       LYS  13  11.133  -3.832   5.657
  116    HA   LYS  13           HA       LYS  13   9.065  -4.455   3.633
  117   1HB   LYS  13           HB2      LYS  13  10.348  -6.609   5.335
  118   2HB   LYS  13           HB1      LYS  13   9.019  -6.837   4.208
  119   1HG   LYS  13           HG2      LYS  13  10.556  -5.933   2.389
  120   2HG   LYS  13           HG1      LYS  13  11.870  -6.036   3.555
  121   1HD   LYS  13           HD2      LYS  13  10.548  -8.521   3.714
  122   2HD   LYS  13           HD1      LYS  13  10.642  -8.158   1.994
  123   1HE   LYS  13           HE2      LYS  13  12.955  -8.166   3.960
  124   2HE   LYS  13           HE1      LYS  13  12.670  -9.342   2.683
  125   1HZ   LYS  13           HZ1      LYS  13  12.672  -6.704   1.646
  126   2HZ   LYS  13           HZ3      LYS  13  14.110  -7.010   2.497
  127   3HZ   LYS  13           HZ2      LYS  13  13.645  -8.029   1.220
  128    H    GLY  14           HN       GLY  14   7.033  -4.440   4.496
  129   1HA   GLY  14           HA2      GLY  14   6.491  -5.005   7.281
  130   2HA   GLY  14           HA1      GLY  14   6.492  -3.270   6.980
  131    H    GLU  15           HN       GLU  15   4.247  -3.190   7.486
  132    HA   GLU  15           HA       GLU  15   2.507  -3.397   5.227
  133   1HB   GLU  15           HB2      GLU  15   0.980  -5.175   6.333
  134   2HB   GLU  15           HB1      GLU  15   2.418  -5.740   5.489
  135   1HG   GLU  15           HG2      GLU  15   3.462  -6.385   7.432
  136   2HG   GLU  15           HG1      GLU  15   2.801  -5.036   8.353
  137    H    THR  16           HN       THR  16   0.818  -2.047   5.552
  138    HA   THR  16           HA       THR  16  -0.126  -1.545   8.318
  139    HB   THR  16           HB       THR  16   1.478   0.227   8.194
  140    HG1  THR  16           HG1      THR  16  -0.544   1.676   7.041
  141   1HG2  THR  16          HG21      THR  16   0.457   0.596   5.354
  142   2HG2  THR  16          HG23      THR  16   1.477   1.771   6.175
  143   3HG2  THR  16          HG22      THR  16   2.094   0.159   5.825
  144    H    THR  17           HN       THR  17  -2.238  -0.735   8.426
  145    HA   THR  17           HA       THR  17  -3.760  -0.975   5.873
  146    HB   THR  17           HB       THR  17  -5.636  -1.643   7.184
  147    HG1  THR  17           HG1      THR  17  -5.904  -0.290   8.798
  148   1HG2  THR  17          HG21      THR  17  -3.428  -3.111   7.538
  149   2HG2  THR  17          HG23      THR  17  -3.519  -2.443   9.166
  150   3HG2  THR  17          HG22      THR  17  -4.853  -3.402   8.532
  151    H    THR  18           HN       THR  18  -5.082   0.636   5.138
  152    HA   THR  18           HA       THR  18  -5.165   3.174   6.717
  153    HB   THR  18           HB       THR  18  -3.465   3.113   4.700
  154    HG1  THR  18           HG1      THR  18  -4.964   5.247   4.226
  155   1HG2  THR  18          HG23      THR  18  -5.510   2.254   3.198
  156   2HG2  THR  18          HG22      THR  18  -5.920   3.965   3.184
  157   3HG2  THR  18          HG21      THR  18  -4.368   3.426   2.552
  158    H    GLU  19           HN       GLU  19  -7.037   4.387   6.502
  159    HA   GLU  19           HA       GLU  19  -9.377   2.883   5.545
  160   1HB   GLU  19           HB2      GLU  19  -9.159   4.364   7.698
  161   2HB   GLU  19           HB1      GLU  19  -9.501   5.692   6.596
  162   1HG   GLU  19           HG2      GLU  19 -11.432   3.996   5.796
  163   2HG   GLU  19           HG1      GLU  19 -11.266   3.444   7.461
  164    H    ALA  20           HN       ALA  20 -10.101   3.054   3.530
  165    HA   ALA  20           HA       ALA  20  -9.947   5.694   2.161
  166   1HB   ALA  20           HB1      ALA  20  -8.472   3.280   1.448
  167   2HB   ALA  20           HB3      ALA  20  -9.479   3.857   0.122
  168   3HB   ALA  20           HB2      ALA  20  -8.280   4.922   0.847
  169    H    VAL  21           HN       VAL  21 -11.755   6.174   1.023
  170    HA   VAL  21           HA       VAL  21 -14.021   4.337   1.222
  171    HB   VAL  21           HB       VAL  21 -14.576   6.623   1.515
  172   1HG1  VAL  21          HG13      VAL  21 -12.671   6.969  -0.754
  173   2HG1  VAL  21          HG12      VAL  21 -14.004   8.116  -0.661
  174   3HG1  VAL  21          HG11      VAL  21 -12.884   7.956   0.689
  175   1HG2  VAL  21          HG22      VAL  21 -15.975   5.194  -0.174
  176   2HG2  VAL  21          HG21      VAL  21 -16.261   6.930  -0.106
  177   3HG2  VAL  21          HG23      VAL  21 -15.274   6.251  -1.395
  178    H    ASP  22           HN       ASP  22 -11.622   5.070  -1.128
  179    HA   ASP  22           HA       ASP  22 -12.952   3.195  -3.012
  180   1HB   ASP  22           HB2      ASP  22 -12.196   4.836  -4.885
  181   2HB   ASP  22           HB1      ASP  22 -13.669   5.205  -3.992
  182    H    ALA  23           HN       ALA  23 -11.399   2.730  -4.904
  183    HA   ALA  23           HA       ALA  23  -8.870   1.873  -3.734
  184   1HB   ALA  23           HB2      ALA  23 -10.200   1.561  -6.408
  185   2HB   ALA  23           HB1      ALA  23  -8.495   1.161  -6.230
  186   3HB   ALA  23           HB3      ALA  23  -9.703   0.317  -5.266
  187    H    ALA  24           HN       ALA  24  -9.879   4.259  -6.140
  188    HA   ALA  24           HA       ALA  24  -7.350   5.060  -7.086
  189   1HB   ALA  24           HB1      ALA  24  -9.781   5.866  -7.701
  190   2HB   ALA  24           HB3      ALA  24  -9.442   7.131  -6.524
  191   3HB   ALA  24           HB2      ALA  24  -8.412   6.948  -7.940
  192    H    THR  25           HN       THR  25  -9.172   6.456  -4.359
  193    HA   THR  25           HA       THR  25  -7.025   8.176  -3.540
  194    HB   THR  25           HB       THR  25  -9.507   8.380  -2.847
  195    HG1  THR  25           HG1      THR  25  -8.421   9.701  -1.602
  196   1HG2  THR  25          HG22      THR  25  -9.205   5.857  -1.831
  197   2HG2  THR  25          HG21      THR  25  -8.773   6.819  -0.425
  198   3HG2  THR  25          HG23      THR  25 -10.351   7.019  -1.176
  199    H    ALA  26           HN       ALA  26  -7.746   4.826  -2.964
  200    HA   ALA  26           HA       ALA  26  -6.040   4.497  -0.655
  201   1HB   ALA  26           HB2      ALA  26  -7.814   2.870  -1.314
  202   2HB   ALA  26           HB1      ALA  26  -6.840   2.424  -2.709
  203   3HB   ALA  26           HB3      ALA  26  -6.244   2.106  -1.084
  204    H    GLU  27           HN       GLU  27  -5.534   4.434  -4.110
  205    HA   GLU  27           HA       GLU  27  -2.928   3.247  -4.095
  206   1HB   GLU  27           HB2      GLU  27  -4.355   5.056  -6.046
  207   2HB   GLU  27           HB1      GLU  27  -2.745   4.421  -6.353
  208   1HG   GLU  27           HG2      GLU  27  -3.649   2.101  -6.005
  209   2HG   GLU  27           HG1      GLU  27  -5.260   2.796  -5.863
  210    H    LYS  28           HN       LYS  28  -3.939   6.669  -4.284
  211    HA   LYS  28           HA       LYS  28  -1.189   7.594  -4.073
  212   1HB   LYS  28           HB2      LYS  28  -2.240   9.858  -3.820
  213   2HB   LYS  28           HB1      LYS  28  -2.752   8.990  -5.259
  214   1HG   LYS  28           HG2      LYS  28  -4.895   8.632  -4.450
  215   2HG   LYS  28           HG1      LYS  28  -4.379   8.637  -2.769
  216   1HD   LYS  28           HD2      LYS  28  -4.225  11.000  -2.694
  217   2HD   LYS  28           HD1      LYS  28  -4.190  11.140  -4.446
  218   1HE   LYS  28           HE2      LYS  28  -6.552  10.264  -4.499
  219   2HE   LYS  28           HE1      LYS  28  -6.562  10.323  -2.741
  220   1HZ   LYS  28           HZ1      LYS  28  -5.711  12.750  -4.070
  221   2HZ   LYS  28           HZ3      LYS  28  -7.341  12.328  -4.296
  222   3HZ   LYS  28           HZ2      LYS  28  -6.729  12.541  -2.727
  223    H    VAL  29           HN       VAL  29  -3.713   6.858  -1.804
  224    HA   VAL  29           HA       VAL  29  -2.704   8.392   0.409
  225    HB   VAL  29           HB       VAL  29  -4.431   5.937   0.206
  226   1HG1  VAL  29          HG12      VAL  29  -3.233   7.242   2.647
  227   2HG1  VAL  29          HG11      VAL  29  -4.794   6.434   2.738
  228   3HG1  VAL  29          HG13      VAL  29  -3.359   5.526   2.274
  229   1HG2  VAL  29          HG23      VAL  29  -5.042   8.520  -0.209
  230   2HG2  VAL  29          HG22      VAL  29  -6.179   7.413   0.556
  231   3HG2  VAL  29          HG21      VAL  29  -5.201   8.493   1.544
  232    H    PHE  30           HN       PHE  30  -2.480   4.870  -0.117
  233    HA   PHE  30           HA       PHE  30  -0.491   4.405   1.843
  234   1HB   PHE  30           HB2      PHE  30  -1.317   2.975  -0.663
  235   2HB   PHE  30           HB1      PHE  30   0.134   2.449   0.178
  236    HD1  PHE  30           HD1      PHE  30  -0.258   2.361   2.904
  237    HD2  PHE  30           HD2      PHE  30  -3.270   1.845  -0.068
  238    HE1  PHE  30           HE1      PHE  30  -1.658   1.146   4.519
  239    HE2  PHE  30           HE2      PHE  30  -4.642   0.624   1.549
  240    HZ   PHE  30           HZ       PHE  30  -3.830   0.225   3.829
  241    H    LYS  31           HN       LYS  31  -0.227   5.437  -1.503
  242    HA   LYS  31           HA       LYS  31   2.576   5.156  -1.830
  243   1HB   LYS  31           HB2      LYS  31   0.930   5.750  -3.635
  244   2HB   LYS  31           HB1      LYS  31   0.859   7.376  -2.961
  245   1HG   LYS  31           HG2      LYS  31   3.607   6.779  -3.191
  246   2HG   LYS  31           HG1      LYS  31   2.877   6.208  -4.687
  247   1HD   LYS  31           HD2      LYS  31   1.796   8.404  -5.009
  248   2HD   LYS  31           HD1      LYS  31   2.489   8.977  -3.497
  249   1HE   LYS  31           HE2      LYS  31   4.367   7.818  -5.511
  250   2HE   LYS  31           HE1      LYS  31   3.694   9.404  -5.860
  251   1HZ   LYS  31           HZ2      LYS  31   4.607   9.125  -3.155
  252   2HZ   LYS  31           HZ1      LYS  31   5.844   8.923  -4.301
  253   3HZ   LYS  31           HZ3      LYS  31   4.922  10.350  -4.288
  254    H    GLN  32           HN       GLN  32   0.666   7.778  -0.429
  255    HA   GLN  32           HA       GLN  32   2.813   9.605  -0.005
  256   1HB   GLN  32           HB2      GLN  32   0.502  10.319   0.268
  257   2HB   GLN  32           HB1      GLN  32   0.267   9.172   1.582
  258   1HG   GLN  32           HG2      GLN  32   1.785  10.362   3.015
  259   2HG   GLN  32           HG1      GLN  32   2.375  11.348   1.680
  260   1HE2  GLN  32          HE22      GLN  32  -0.989  13.012   1.542
  261   2HE2  GLN  32          HE21      GLN  32  -0.111  12.037   0.465
  262    OH   TYR  33           OH       TYR  33   4.994   2.809   8.126
  263    H    TYR  33           HN       TYR  33   1.737   6.780   1.734
  264    HA   TYR  33           HA       TYR  33   3.384   7.267   4.081
  265   1HB   TYR  33           HB2      TYR  33   1.375   5.849   4.216
  266   2HB   TYR  33           HB1      TYR  33   2.095   4.716   3.079
  267    HD1  TYR  33           HD1      TYR  33   4.209   3.503   3.724
  268    HD2  TYR  33           HD2      TYR  33   1.997   5.804   6.533
  269    HE1  TYR  33           HE1      TYR  33   5.369   2.373   5.560
  270    HE2  TYR  33           HE2      TYR  33   3.156   4.671   8.373
  271    HH   TYR  33           HH       TYR  33   4.334   2.517   8.759
  272    H    ALA  34           HN       ALA  34   3.576   4.794   1.532
  273    HA   ALA  34           HA       ALA  34   6.076   3.725   2.097
  274   1HB   ALA  34           HB1      ALA  34   4.311   3.564  -0.027
  275   2HB   ALA  34           HB3      ALA  34   5.754   4.248  -0.769
  276   3HB   ALA  34           HB2      ALA  34   5.847   2.711   0.085
  277    H    ASN  35           HN       ASN  35   5.340   6.880   0.887
  278    HA   ASN  35           HA       ASN  35   8.010   7.471  -0.098
  279   1HB   ASN  35           HB2      ASN  35   5.869   8.663  -0.782
  280   2HB   ASN  35           HB1      ASN  35   5.918   9.470   0.783
  281   1HD2  ASN  35          HD22      ASN  35   7.733  11.862  -1.223
  282   2HD2  ASN  35          HD21      ASN  35   6.156  11.438  -0.758
  283    H    ASP  36           HN       ASP  36   6.214   8.279   2.855
  284    HA   ASP  36           HA       ASP  36   8.313   9.754   4.111
  285   1HB   ASP  36           HB2      ASP  36   6.006   8.169   5.264
  286   2HB   ASP  36           HB1      ASP  36   7.081   9.163   6.245
  287    H    ASN  37           HN       ASN  37   8.177   6.528   3.275
  288    HA   ASN  37           HA       ASN  37  10.057   5.717   5.453
  289   1HB   ASN  37           HB2      ASN  37   8.278   4.128   3.603
  290   2HB   ASN  37           HB1      ASN  37   9.548   3.376   4.564
  291   1HD2  ASN  37          HD22      ASN  37   6.478   5.187   6.633
  292   2HD2  ASN  37          HD21      ASN  37   7.024   5.887   5.186
  293    H    GLY  38           HN       GLY  38   9.542   5.307   1.965
  294   1HA   GLY  38           HA2      GLY  38  11.529   6.030   0.537
  295   2HA   GLY  38           HA1      GLY  38  12.512   5.072   1.637
  296    H    VAL  39           HN       VAL  39   9.417   4.496  -0.027
  297    HA   VAL  39           HA       VAL  39  10.664   2.192  -1.435
  298    HB   VAL  39           HB       VAL  39   8.076   1.961   0.124
  299   1HG1  VAL  39          HG13      VAL  39   9.808  -0.086  -1.309
  300   2HG1  VAL  39          HG12      VAL  39   8.342  -0.444  -0.402
  301   3HG1  VAL  39          HG11      VAL  39   8.253   0.512  -1.878
  302   1HG2  VAL  39          HG22      VAL  39  10.906   1.060   0.745
  303   2HG2  VAL  39          HG21      VAL  39   9.884   2.113   1.719
  304   3HG2  VAL  39          HG23      VAL  39   9.489   0.404   1.560
  305    H    ASP  40           HN       ASP  40  10.384   2.987  -3.466
  306    HA   ASP  40           HA       ASP  40   7.577   3.328  -4.375
  307   1HB   ASP  40           HB2      ASP  40   9.749   5.309  -5.092
  308   2HB   ASP  40           HB1      ASP  40   8.036   5.412  -5.495
  309    H    GLY  41           HN       GLY  41   7.228   2.317  -6.254
  310   1HA   GLY  41           HA2      GLY  41   9.004   2.217  -8.465
  311   2HA   GLY  41           HA1      GLY  41   9.256   0.752  -7.518
  312    H    GLU  42           HN       GLU  42   7.658  -0.813  -7.462
  313    HA   GLU  42           HA       GLU  42   5.502  -0.486  -9.505
  314   1HB   GLU  42           HB2      GLU  42   6.307  -3.083  -8.243
  315   2HB   GLU  42           HB1      GLU  42   5.562  -2.813  -9.812
  316   1HG   GLU  42           HG2      GLU  42   7.679  -1.620 -10.519
  317   2HG   GLU  42           HG1      GLU  42   8.410  -2.139  -9.002
  318    CH2  TRP  43           CH2      TRP  43   2.165   2.601  -2.174
  319    H    TRP  43           HN       TRP  43   3.390  -0.664  -8.934
  320    HA   TRP  43           HA       TRP  43   2.805  -1.242  -6.049
  321   1HB   TRP  43           HB2      TRP  43   1.759   0.863  -7.915
  322   2HB   TRP  43           HB1      TRP  43   0.792   0.337  -6.547
  323    HD1  TRP  43           HD1      TRP  43   4.372   1.597  -7.295
  324    HE1  TRP  43           HE1      TRP  43   5.103   2.920  -5.252
  325    HE3  TRP  43           HE3      TRP  43   0.425   0.772  -4.385
  326    HZ2  TRP  43           HZ2      TRP  43   4.074   3.487  -2.525
  327    HZ3  TRP  43           HZ3      TRP  43   0.277   1.614  -2.097
  328    HH2  TRP  43           HH2      TRP  43   2.097   2.968  -1.160
  329    H    THR  44           HN       THR  44   1.270  -2.711  -5.622
  330    HA   THR  44           HA       THR  44  -0.359  -3.744  -7.921
  331    HB   THR  44           HB       THR  44  -0.230  -5.995  -6.682
  332    HG1  THR  44           HG1      THR  44   1.895  -5.676  -5.345
  333   1HG2  THR  44          HG23      THR  44   1.692  -4.768  -8.377
  334   2HG2  THR  44          HG22      THR  44   2.605  -5.473  -7.047
  335   3HG2  THR  44          HG21      THR  44   1.551  -6.488  -8.026
  336    OH   TYR  45           OH       TYR  45  -8.929  -1.371  -3.167
  337    H    TYR  45           HN       TYR  45  -2.347  -4.868  -7.243
  338    HA   TYR  45           HA       TYR  45  -3.510  -3.856  -4.686
  339   1HB   TYR  45           HB2      TYR  45  -4.072  -2.422  -6.772
  340   2HB   TYR  45           HB1      TYR  45  -5.045  -3.797  -7.299
  341    HD1  TYR  45           HD1      TYR  45  -6.542  -4.731  -4.996
  342    HD2  TYR  45           HD2      TYR  45  -5.399  -0.743  -5.912
  343    HE1  TYR  45           HE1      TYR  45  -8.326  -3.893  -3.565
  344    HE2  TYR  45           HE2      TYR  45  -7.235   0.093  -4.532
  345    HH   TYR  45           HH       TYR  45  -8.768  -0.440  -2.994
  346    H    ASP  46           HN       ASP  46  -4.489  -5.478  -3.616
  347    HA   ASP  46           HA       ASP  46  -5.140  -7.978  -5.129
  348   1HB   ASP  46           HB2      ASP  46  -3.473  -7.943  -3.136
  349   2HB   ASP  46           HB1      ASP  46  -4.914  -7.800  -2.135
  350    H    ASP  47           HN       ASP  47  -7.183  -6.989  -5.798
  351    HA   ASP  47           HA       ASP  47  -9.169  -6.184  -3.868
  352   1HB   ASP  47           HB2      ASP  47  -9.192  -5.548  -6.293
  353   2HB   ASP  47           HB1      ASP  47  -9.620  -7.212  -6.683
  354    H    ALA  48           HN       ALA  48  -7.806  -9.094  -4.187
  355    HA   ALA  48           HA       ALA  48 -10.197 -10.784  -4.137
  356   1HB   ALA  48           HB2      ALA  48  -7.857 -11.440  -4.991
  357   2HB   ALA  48           HB1      ALA  48  -7.427 -11.625  -3.294
  358   3HB   ALA  48           HB3      ALA  48  -8.703 -12.617  -3.991
  359    H    THR  49           HN       THR  49  -8.109  -9.236  -1.816
  360    HA   THR  49           HA       THR  49  -9.946 -10.121   0.339
  361    HB   THR  49           HB       THR  49  -7.713 -10.490   1.747
  362    HG1  THR  49           HG1      THR  49  -6.737 -11.468  -0.627
  363   1HG2  THR  49          HG23      THR  49  -8.566 -12.466  -0.406
  364   2HG2  THR  49          HG22      THR  49  -7.644 -12.861   1.040
  365   3HG2  THR  49          HG21      THR  49  -9.320 -12.339   1.180
  366    H    LYS  50           HN       LYS  50  -9.096  -7.601  -1.148
  367    HA   LYS  50           HA       LYS  50  -8.716  -5.353  -0.621
  368   1HB   LYS  50           HB2      LYS  50  -9.785  -6.327   2.041
  369   2HB   LYS  50           HB1      LYS  50  -9.561  -4.632   1.625
  370   1HG   LYS  50           HG2      LYS  50 -11.303  -4.633   0.101
  371   2HG   LYS  50           HG1      LYS  50 -11.097  -6.334  -0.296
  372   1HD   LYS  50           HD2      LYS  50 -11.966  -5.600   2.483
  373   2HD   LYS  50           HD1      LYS  50 -13.152  -5.541   1.185
  374   1HE   LYS  50           HE2      LYS  50 -13.043  -7.831   0.793
  375   2HE   LYS  50           HE1      LYS  50 -11.394  -7.959   1.393
  376   1HZ   LYS  50           HZ2      LYS  50 -13.510  -7.194   3.267
  377   2HZ   LYS  50           HZ1      LYS  50 -13.398  -8.820   2.789
  378   3HZ   LYS  50           HZ3      LYS  50 -12.077  -8.065   3.545
  379    H    THR  51           HN       THR  51  -6.429  -6.320  -0.833
  380    HA   THR  51           HA       THR  51  -4.884  -5.416   1.556
  381    HB   THR  51           HB       THR  51  -4.662  -8.114   0.159
  382    HG1  THR  51           HG1      THR  51  -5.953  -7.407   2.131
  383   1HG2  THR  51          HG21      THR  51  -2.492  -6.519   1.320
  384   2HG2  THR  51          HG23      THR  51  -2.777  -7.985   2.237
  385   3HG2  THR  51          HG22      THR  51  -2.401  -8.076   0.520
  386    H    PHE  52           HN       PHE  52  -3.658  -3.749   0.774
  387    HA   PHE  52           HA       PHE  52  -2.979  -3.587  -2.063
  388   1HB   PHE  52           HB2      PHE  52  -2.979  -1.816   0.230
  389   2HB   PHE  52           HB1      PHE  52  -1.480  -1.683  -0.679
  390    HD1  PHE  52           HD1      PHE  52  -1.529  -0.999  -3.085
  391    HD2  PHE  52           HD2      PHE  52  -5.089  -1.196  -0.786
  392    HE1  PHE  52           HE1      PHE  52  -2.738   0.275  -4.815
  393    HE2  PHE  52           HE2      PHE  52  -6.247   0.181  -2.427
  394    HZ   PHE  52           HZ       PHE  52  -5.062   0.960  -4.425
  395    H    THR  53           HN       THR  53  -0.664  -3.280  -2.729
  396    HA   THR  53           HA       THR  53   1.387  -4.290  -0.907
  397    HB   THR  53           HB       THR  53   0.441  -5.979  -3.248
  398    HG1  THR  53           HG1      THR  53  -0.445  -6.939  -1.585
  399   1HG2  THR  53          HG21      THR  53   3.019  -5.951  -1.671
  400   2HG2  THR  53          HG23      THR  53   2.339  -7.489  -2.195
  401   3HG2  THR  53          HG22      THR  53   2.793  -6.275  -3.387
  402    H    VAL  54           HN       VAL  54   3.364  -3.568  -1.478
  403    HA   VAL  54           HA       VAL  54   3.754  -2.574  -4.268
  404    HB   VAL  54           HB       VAL  54   3.152  -0.687  -2.661
  405   1HG1  VAL  54          HG12      VAL  54   4.490  -1.799  -0.779
  406   2HG1  VAL  54          HG11      VAL  54   5.929  -1.164  -1.567
  407   3HG1  VAL  54          HG13      VAL  54   4.694  -0.064  -0.961
  408   1HG2  VAL  54          HG21      VAL  54   5.858  -0.749  -4.023
  409   2HG2  VAL  54          HG23      VAL  54   4.350  -0.133  -4.674
  410   3HG2  VAL  54          HG22      VAL  54   5.149   0.718  -3.363
  411    H    THR  55           HN       THR  55   5.928  -2.634  -4.956
  412    HA   THR  55           HA       THR  55   7.894  -3.850  -3.075
  413    HB   THR  55           HB       THR  55   7.249  -5.037  -5.810
  414    HG1  THR  55           HG1      THR  55   5.984  -6.284  -4.641
  415   1HG2  THR  55          HG23      THR  55   9.431  -5.408  -3.823
  416   2HG2  THR  55          HG22      THR  55   8.632  -6.891  -4.338
  417   3HG2  THR  55          HG21      THR  55   9.395  -5.843  -5.525
  418    H    GLU  56           HN       GLU  56   9.757  -2.751  -3.225
  419    HA   GLU  56           HA       GLU  56  10.207  -0.746  -5.233
  420   1HB   GLU  56           HB2      GLU  56  11.331  -1.360  -2.788
  421   2HB   GLU  56           HB1      GLU  56  12.626  -1.754  -3.907
  422   1HG   GLU  56           HG2      GLU  56  12.142   0.536  -4.999
  423   2HG   GLU  56           HG1      GLU  56  11.196   0.892  -3.555
   
  Start of MODEL          58
 Raw file had 423 H/Q atoms
  Entry Start of MODEL   58
    1   1H    MET   1           HT3      MET   1 -13.146  -0.364   6.135
    2   2H    MET   1           HT2      MET   1 -14.318   0.857   5.994
    3   3H    MET   1           HT1      MET   1 -14.584  -0.663   5.284
    4    HA   MET   1           HA       MET   1 -13.341  -0.221   3.490
    5   1HB   MET   1           HB2      MET   1 -13.503   2.652   4.401
    6   2HB   MET   1           HB1      MET   1 -13.575   2.026   2.757
    7   1HG   MET   1           HG2      MET   1 -15.630   1.625   4.938
    8   2HG   MET   1           HG1      MET   1 -15.806   2.648   3.538
    9   1HE   MET   1           HE1      MET   1 -15.754   1.944   1.247
   10   2HE   MET   1           HE3      MET   1 -14.666   0.559   1.148
   11   3HE   MET   1           HE2      MET   1 -16.339   0.406   0.612
   12    H    THR   2           HN       THR   2 -11.452  -1.201   4.768
   13    HA   THR   2           HA       THR   2  -9.188   0.713   4.565
   14    HB   THR   2           HB       THR   2  -9.602  -1.082   6.993
   15    HG1  THR   2           HG1      THR   2 -10.308   1.486   6.233
   16   1HG2  THR   2          HG22      THR   2  -7.237  -0.008   5.996
   17   2HG2  THR   2          HG21      THR   2  -7.803   1.248   7.093
   18   3HG2  THR   2          HG23      THR   2  -7.529  -0.385   7.690
   19    OH   TYR   3           OH       TYR   3 -11.533   0.224  -0.964
   20    H    TYR   3           HN       TYR   3  -7.661  -0.180   3.323
   21    HA   TYR   3           HA       TYR   3  -7.696  -3.134   2.953
   22   1HB   TYR   3           HB2      TYR   3  -6.042  -1.173   1.379
   23   2HB   TYR   3           HB1      TYR   3  -6.530  -2.790   0.913
   24    HD1  TYR   3           HD1      TYR   3  -7.900   0.592   1.709
   25    HD2  TYR   3           HD2      TYR   3  -8.559  -3.116  -0.263
   26    HE1  TYR   3           HE1      TYR   3  -9.930   1.500   0.678
   27    HE2  TYR   3           HE2      TYR   3 -10.590  -2.208  -1.293
   28    HH   TYR   3           HH       TYR   3 -12.253  -0.393  -0.807
   29    H    LYS   4           HN       LYS   4  -5.595  -4.234   2.803
   30    HA   LYS   4           HA       LYS   4  -3.758  -3.237   4.939
   31   1HB   LYS   4           HB2      LYS   4  -4.993  -5.589   4.879
   32   2HB   LYS   4           HB1      LYS   4  -3.672  -6.016   3.808
   33   1HG   LYS   4           HG2      LYS   4  -2.024  -5.403   5.507
   34   2HG   LYS   4           HG1      LYS   4  -3.295  -4.823   6.570
   35   1HD   LYS   4           HD2      LYS   4  -2.586  -7.092   7.232
   36   2HD   LYS   4           HD1      LYS   4  -4.259  -7.093   6.691
   37   1HE   LYS   4           HE2      LYS   4  -2.619  -8.935   5.786
   38   2HE   LYS   4           HE1      LYS   4  -3.746  -8.174   4.673
   39   1HZ   LYS   4           HZ2      LYS   4  -0.998  -7.157   5.079
   40   2HZ   LYS   4           HZ1      LYS   4  -1.363  -8.354   3.930
   41   3HZ   LYS   4           HZ3      LYS   4  -2.067  -6.815   3.806
   42    H    LEU   5           HN       LEU   5  -1.830  -2.443   4.275
   43    HA   LEU   5           HA       LEU   5  -0.960  -3.010   1.505
   44   1HB   LEU   5           HB2      LEU   5  -0.825  -0.697   2.134
   45   2HB   LEU   5           HB1      LEU   5  -0.006  -1.074   3.639
   46    HG   LEU   5           HG       LEU   5   1.975  -1.905   2.248
   47   1HD1  LEU   5          HD12      LEU   5   0.351  -0.632   0.023
   48   2HD1  LEU   5          HD11      LEU   5   2.030  -1.131  -0.119
   49   3HD1  LEU   5          HD13      LEU   5   0.778  -2.335   0.138
   50   1HD2  LEU   5          HD22      LEU   5   1.695   0.454   3.223
   51   2HD2  LEU   5          HD21      LEU   5   2.848   0.275   1.907
   52   3HD2  LEU   5          HD23      LEU   5   1.256   0.947   1.593
   53    H    ILE   6           HN       ILE   6   1.062  -3.890   1.010
   54    HA   ILE   6           HA       ILE   6   2.516  -5.228   3.213
   55    HB   ILE   6           HB       ILE   6   2.087  -6.393   0.455
   56   1HG1  ILE   6          HG12      ILE   6   0.622  -6.843   3.071
   57   2HG1  ILE   6          HG11      ILE   6  -0.070  -6.359   1.527
   58   1HG2  ILE   6          HG22      ILE   6   4.116  -7.046   1.926
   59   2HG2  ILE   6          HG21      ILE   6   2.938  -7.807   2.988
   60   3HG2  ILE   6          HG23      ILE   6   3.108  -8.355   1.323
   61   1HD1  ILE   6           HD3      ILE   6   0.882  -8.590   0.616
   62   2HD1  ILE   6           HD2      ILE   6   1.067  -9.050   2.306
   63   3HD1  ILE   6           HD1      ILE   6  -0.529  -8.686   1.663
   64    H    LEU   7           HN       LEU   7   4.284  -3.932   3.326
   65    HA   LEU   7           HA       LEU   7   5.514  -2.823   0.924
   66   1HB   LEU   7           HB2      LEU   7   6.324  -2.802   3.830
   67   2HB   LEU   7           HB1      LEU   7   7.251  -2.007   2.565
   68    HG   LEU   7           HG       LEU   7   4.358  -1.405   2.526
   69   1HD1  LEU   7          HD11      LEU   7   6.137  -0.675   4.864
   70   2HD1  LEU   7          HD13      LEU   7   4.731   0.291   4.427
   71   3HD1  LEU   7          HD12      LEU   7   4.528  -1.391   4.910
   72   1HD2  LEU   7          HD23      LEU   7   6.107  -0.306   1.106
   73   2HD2  LEU   7          HD22      LEU   7   5.220   0.847   2.099
   74   3HD2  LEU   7          HD21      LEU   7   6.840   0.345   2.567
   75    H    ASN   8           HN       ASN   8   6.749  -3.987  -0.381
   76    HA   ASN   8           HA       ASN   8   8.357  -6.214   0.790
   77   1HB   ASN   8           HB2      ASN   8   6.795  -5.882  -1.633
   78   2HB   ASN   8           HB1      ASN   8   8.435  -6.358  -2.022
   79   1HD2  ASN   8          HD22      ASN   8   5.975  -9.161  -0.874
   80   2HD2  ASN   8          HD21      ASN   8   5.562  -7.709  -1.636
   81    H    GLY   9           HN       GLY   9   9.209  -3.562   1.130
   82   1HA   GLY   9           HA2      GLY   9  10.963  -2.515  -0.793
   83   2HA   GLY   9           HA1      GLY   9  11.202  -2.325   0.935
   84    H    LYS  10           HN       LYS  10  13.076  -2.853  -1.344
   85    HA   LYS  10           HA       LYS  10  14.098  -5.494  -1.269
   86   1HB   LYS  10           HB2      LYS  10  14.872  -3.021  -2.391
   87   2HB   LYS  10           HB1      LYS  10  16.249  -3.577  -1.446
   88   1HG   LYS  10           HG2      LYS  10  16.027  -5.823  -2.569
   89   2HG   LYS  10           HG1      LYS  10  14.784  -5.129  -3.604
   90   1HD   LYS  10           HD2      LYS  10  16.466  -4.481  -4.978
   91   2HD   LYS  10           HD1      LYS  10  16.875  -3.284  -3.753
   92   1HE   LYS  10           HE2      LYS  10  18.865  -4.601  -4.247
   93   2HE   LYS  10           HE1      LYS  10  18.314  -5.003  -2.627
   94   1HZ   LYS  10           HZ2      LYS  10  17.149  -6.631  -4.693
   95   2HZ   LYS  10           HZ1      LYS  10  18.836  -6.786  -4.571
   96   3HZ   LYS  10           HZ3      LYS  10  17.855  -7.085  -3.216
   97    H    THR  11           HN       THR  11  14.816  -2.695   0.758
   98    HA   THR  11           HA       THR  11  16.177  -4.527   2.690
   99    HB   THR  11           HB       THR  11  17.258  -2.157   3.353
  100    HG1  THR  11           HG1      THR  11  17.412  -0.964   1.399
  101   1HG2  THR  11          HG22      THR  11  17.976  -4.035   1.103
  102   2HG2  THR  11          HG21      THR  11  18.920  -2.569   1.345
  103   3HG2  THR  11          HG23      THR  11  18.828  -3.778   2.622
  104    H    LEU  12           HN       LEU  12  13.343  -3.124   2.237
  105    HA   LEU  12           HA       LEU  12  12.963  -2.690   5.153
  106   1HB   LEU  12           HB2      LEU  12  13.456  -0.475   3.923
  107   2HB   LEU  12           HB1      LEU  12  11.868  -0.679   3.195
  108    HG   LEU  12           HG       LEU  12  11.091  -1.085   5.684
  109   1HD1  LEU  12          HD13      LEU  12  13.746  -0.775   6.212
  110   2HD1  LEU  12          HD12      LEU  12  13.202   0.890   6.383
  111   3HD1  LEU  12          HD11      LEU  12  12.483  -0.378   7.371
  112   1HD2  LEU  12          HD21      LEU  12  11.798   1.572   4.414
  113   2HD2  LEU  12          HD23      LEU  12  10.231   0.770   4.443
  114   3HD2  LEU  12          HD22      LEU  12  10.891   1.467   5.919
  115    H    LYS  13           HN       LYS  13  11.663  -4.491   5.288
  116    HA   LYS  13           HA       LYS  13   9.238  -4.564   3.556
  117   1HB   LYS  13           HB2      LYS  13  10.380  -6.680   5.393
  118   2HB   LYS  13           HB1      LYS  13   8.985  -6.885   4.345
  119   1HG   LYS  13           HG2      LYS  13  10.699  -6.037   2.484
  120   2HG   LYS  13           HG1      LYS  13  11.885  -6.662   3.624
  121   1HD   LYS  13           HD2      LYS  13  10.681  -8.838   3.658
  122   2HD   LYS  13           HD1      LYS  13   9.536  -8.210   2.479
  123   1HE   LYS  13           HE2      LYS  13  11.793  -7.635   1.157
  124   2HE   LYS  13           HE1      LYS  13  12.404  -8.977   2.117
  125   1HZ   LYS  13           HZ2      LYS  13   9.895  -9.185   0.573
  126   2HZ   LYS  13           HZ1      LYS  13  11.407  -9.517  -0.125
  127   3HZ   LYS  13           HZ3      LYS  13  10.861 -10.435   1.195
  128    H    GLY  14           HN       GLY  14   7.230  -4.289   4.387
  129   1HA   GLY  14           HA2      GLY  14   6.734  -4.493   7.264
  130   2HA   GLY  14           HA1      GLY  14   6.674  -2.844   6.652
  131    H    GLU  15           HN       GLU  15   4.414  -2.998   7.406
  132    HA   GLU  15           HA       GLU  15   2.597  -3.417   5.232
  133   1HB   GLU  15           HB2      GLU  15   1.312  -5.311   6.128
  134   2HB   GLU  15           HB1      GLU  15   2.970  -5.803   5.817
  135   1HG   GLU  15           HG2      GLU  15   3.250  -4.953   8.367
  136   2HG   GLU  15           HG1      GLU  15   1.558  -5.444   8.417
  137    H    THR  16           HN       THR  16   0.916  -2.079   5.596
  138    HA   THR  16           HA       THR  16  -0.012  -1.643   8.377
  139    HB   THR  16           HB       THR  16   1.763   0.105   7.986
  140    HG1  THR  16           HG1      THR  16  -0.292   0.349   9.187
  141   1HG2  THR  16          HG22      THR  16   0.621   0.283   5.430
  142   2HG2  THR  16          HG21      THR  16   0.007   1.703   6.267
  143   3HG2  THR  16          HG23      THR  16   1.743   1.443   6.128
  144    H    THR  17           HN       THR  17  -2.085  -0.577   8.486
  145    HA   THR  17           HA       THR  17  -3.653  -0.966   5.971
  146    HB   THR  17           HB       THR  17  -5.513  -1.568   7.321
  147    HG1  THR  17           HG1      THR  17  -4.183  -0.558   9.593
  148   1HG2  THR  17          HG22      THR  17  -3.167  -2.900   7.867
  149   2HG2  THR  17          HG21      THR  17  -3.591  -2.294   9.462
  150   3HG2  THR  17          HG23      THR  17  -4.715  -3.328   8.583
  151    H    THR  18           HN       THR  18  -4.891   0.668   5.154
  152    HA   THR  18           HA       THR  18  -4.948   3.249   6.671
  153    HB   THR  18           HB       THR  18  -3.261   3.105   4.644
  154    HG1  THR  18           HG1      THR  18  -3.526   5.203   4.851
  155   1HG2  THR  18          HG22      THR  18  -5.342   2.248   3.180
  156   2HG2  THR  18          HG21      THR  18  -5.700   3.970   3.114
  157   3HG2  THR  18          HG23      THR  18  -4.167   3.364   2.495
  158    H    GLU  19           HN       GLU  19  -6.804   4.492   6.416
  159    HA   GLU  19           HA       GLU  19  -9.164   2.983   5.516
  160   1HB   GLU  19           HB2      GLU  19  -8.830   4.641   7.597
  161   2HB   GLU  19           HB1      GLU  19  -9.397   5.811   6.412
  162   1HG   GLU  19           HG2      GLU  19 -11.261   4.055   5.907
  163   2HG   GLU  19           HG1      GLU  19 -10.811   3.362   7.463
  164    H    ALA  20           HN       ALA  20  -9.987   3.151   3.543
  165    HA   ALA  20           HA       ALA  20  -9.710   5.723   2.069
  166   1HB   ALA  20           HB3      ALA  20  -8.451   3.162   1.396
  167   2HB   ALA  20           HB2      ALA  20  -9.396   3.840   0.073
  168   3HB   ALA  20           HB1      ALA  20  -8.092   4.776   0.797
  169    H    VAL  21           HN       VAL  21 -11.423   6.185   0.716
  170    HA   VAL  21           HA       VAL  21 -13.825   4.521   1.116
  171    HB   VAL  21           HB       VAL  21 -13.711   7.112   1.210
  172   1HG1  VAL  21          HG13      VAL  21 -12.559   6.996  -1.170
  173   2HG1  VAL  21          HG12      VAL  21 -14.219   6.911  -1.746
  174   3HG1  VAL  21          HG11      VAL  21 -13.684   8.299  -0.804
  175   1HG2  VAL  21          HG21      VAL  21 -15.786   5.637  -0.448
  176   2HG2  VAL  21          HG23      VAL  21 -15.821   5.878   1.295
  177   3HG2  VAL  21          HG22      VAL  21 -16.009   7.254   0.213
  178    H    ASP  22           HN       ASP  22 -11.361   4.842  -1.176
  179    HA   ASP  22           HA       ASP  22 -12.786   3.026  -3.001
  180   1HB   ASP  22           HB2      ASP  22 -12.743   4.406  -4.921
  181   2HB   ASP  22           HB1      ASP  22 -13.317   5.475  -3.644
  182    H    ALA  23           HN       ALA  23 -11.205   2.765  -5.053
  183    HA   ALA  23           HA       ALA  23  -8.687   1.824  -3.876
  184   1HB   ALA  23           HB3      ALA  23 -10.063   1.512  -6.518
  185   2HB   ALA  23           HB2      ALA  23  -8.342   1.157  -6.403
  186   3HB   ALA  23           HB1      ALA  23  -9.493   0.271  -5.407
  187    H    ALA  24           HN       ALA  24  -9.665   4.128  -6.390
  188    HA   ALA  24           HA       ALA  24  -7.140   4.977  -7.260
  189   1HB   ALA  24           HB3      ALA  24  -9.433   5.736  -8.095
  190   2HB   ALA  24           HB2      ALA  24  -9.430   6.884  -6.761
  191   3HB   ALA  24           HB1      ALA  24  -8.194   6.984  -8.011
  192    H    THR  25           HN       THR  25  -9.036   6.319  -4.565
  193    HA   THR  25           HA       THR  25  -6.967   8.121  -3.717
  194    HB   THR  25           HB       THR  25  -9.419   8.277  -3.023
  195    HG1  THR  25           HG1      THR  25  -7.097   8.448  -1.546
  196   1HG2  THR  25          HG23      THR  25  -9.401   5.744  -2.304
  197   2HG2  THR  25          HG22      THR  25  -8.606   6.342  -0.854
  198   3HG2  THR  25          HG21      THR  25 -10.222   6.900  -1.263
  199    H    ALA  26           HN       ALA  26  -7.730   4.775  -2.954
  200    HA   ALA  26           HA       ALA  26  -5.971   4.477  -0.726
  201   1HB   ALA  26           HB3      ALA  26  -7.689   2.796  -1.414
  202   2HB   ALA  26           HB2      ALA  26  -6.678   2.384  -2.796
  203   3HB   ALA  26           HB1      ALA  26  -6.099   2.082  -1.161
  204    H    GLU  27           HN       GLU  27  -5.429   4.395  -4.191
  205    HA   GLU  27           HA       GLU  27  -2.759   3.338  -4.116
  206   1HB   GLU  27           HB2      GLU  27  -4.407   4.852  -6.095
  207   2HB   GLU  27           HB1      GLU  27  -2.670   4.805  -6.348
  208   1HG   GLU  27           HG2      GLU  27  -2.732   2.320  -6.216
  209   2HG   GLU  27           HG1      GLU  27  -4.479   2.393  -6.010
  210    H    LYS  28           HN       LYS  28  -4.067   6.609  -3.970
  211    HA   LYS  28           HA       LYS  28  -1.404   7.821  -3.876
  212   1HB   LYS  28           HB2      LYS  28  -3.994   9.186  -3.163
  213   2HB   LYS  28           HB1      LYS  28  -2.528   9.907  -3.817
  214   1HG   LYS  28           HG2      LYS  28  -2.863   8.584  -5.917
  215   2HG   LYS  28           HG1      LYS  28  -4.383   7.988  -5.264
  216   1HD   LYS  28           HD2      LYS  28  -5.177  10.345  -5.041
  217   2HD   LYS  28           HD1      LYS  28  -3.683  10.892  -5.795
  218   1HE   LYS  28           HE2      LYS  28  -4.577   8.925  -7.538
  219   2HE   LYS  28           HE1      LYS  28  -6.068   9.708  -7.029
  220   1HZ   LYS  28           HZ3      LYS  28  -3.735  11.295  -7.879
  221   2HZ   LYS  28           HZ2      LYS  28  -4.822  10.659  -9.019
  222   3HZ   LYS  28           HZ1      LYS  28  -5.372  11.745  -7.834
  223    H    VAL  29           HN       VAL  29  -3.835   6.791  -1.599
  224    HA   VAL  29           HA       VAL  29  -2.865   8.254   0.675
  225    HB   VAL  29           HB       VAL  29  -4.369   5.631   0.525
  226   1HG1  VAL  29          HG12      VAL  29  -3.700   7.480   2.831
  227   2HG1  VAL  29          HG11      VAL  29  -5.012   6.308   2.904
  228   3HG1  VAL  29          HG13      VAL  29  -3.352   5.758   2.699
  229   1HG2  VAL  29          HG22      VAL  29  -5.161   8.209  -0.169
  230   2HG2  VAL  29          HG21      VAL  29  -6.243   6.887   0.254
  231   3HG2  VAL  29          HG23      VAL  29  -5.737   8.038   1.486
  232    H    PHE  30           HN       PHE  30  -2.422   4.817  -0.175
  233    HA   PHE  30           HA       PHE  30  -0.430   4.351   1.833
  234   1HB   PHE  30           HB2      PHE  30  -1.305   2.919  -0.650
  235   2HB   PHE  30           HB1      PHE  30   0.182   2.415   0.138
  236    HD1  PHE  30           HD1      PHE  30  -0.123   2.319   2.886
  237    HD2  PHE  30           HD2      PHE  30  -3.204   1.736  -0.003
  238    HE1  PHE  30           HE1      PHE  30  -1.446   1.063   4.537
  239    HE2  PHE  30           HE2      PHE  30  -4.496   0.482   1.647
  240    HZ   PHE  30           HZ       PHE  30  -3.616   0.091   3.897
  241    H    LYS  31           HN       LYS  31  -0.247   5.468  -1.493
  242    HA   LYS  31           HA       LYS  31   2.568   5.168  -1.853
  243   1HB   LYS  31           HB2      LYS  31   1.077   5.662  -3.723
  244   2HB   LYS  31           HB1      LYS  31   0.679   7.225  -3.015
  245   1HG   LYS  31           HG2      LYS  31   2.689   8.162  -3.612
  246   2HG   LYS  31           HG1      LYS  31   3.574   6.659  -3.380
  247   1HD   LYS  31           HD2      LYS  31   2.762   5.774  -5.481
  248   2HD   LYS  31           HD1      LYS  31   1.646   7.120  -5.675
  249   1HE   LYS  31           HE2      LYS  31   3.276   8.518  -6.440
  250   2HE   LYS  31           HE1      LYS  31   4.455   7.931  -5.275
  251   1HZ   LYS  31           HZ1      LYS  31   3.851   5.915  -7.160
  252   2HZ   LYS  31           HZ3      LYS  31   4.319   7.337  -7.963
  253   3HZ   LYS  31           HZ2      LYS  31   5.347   6.638  -6.805
  254    H    GLN  32           HN       GLN  32   0.659   7.897  -0.632
  255    HA   GLN  32           HA       GLN  32   2.858   9.659  -0.185
  256   1HB   GLN  32           HB2      GLN  32   0.633  10.554  -0.089
  257   2HB   GLN  32           HB1      GLN  32   0.164   9.416   1.169
  258   1HG   GLN  32           HG2      GLN  32   1.358  10.547   2.827
  259   2HG   GLN  32           HG1      GLN  32   2.489  11.251   1.674
  260   1HE2  GLN  32          HE22      GLN  32   0.183  13.874   0.704
  261   2HE2  GLN  32          HE21      GLN  32   1.353  12.837   0.041
  262    OH   TYR  33           OH       TYR  33   4.507   2.970   8.146
  263    H    TYR  33           HN       TYR  33   1.629   6.944   1.600
  264    HA   TYR  33           HA       TYR  33   3.089   7.537   4.047
  265   1HB   TYR  33           HB2      TYR  33   1.091   6.158   4.173
  266   2HB   TYR  33           HB1      TYR  33   1.782   4.999   3.043
  267    HD1  TYR  33           HD1      TYR  33   3.754   3.625   3.730
  268    HD2  TYR  33           HD2      TYR  33   1.749   6.158   6.495
  269    HE1  TYR  33           HE1      TYR  33   4.831   2.447   5.589
  270    HE2  TYR  33           HE2      TYR  33   2.825   4.980   8.355
  271    HH   TYR  33           HH       TYR  33   4.033   3.190   8.951
  272    H    ALA  34           HN       ALA  34   3.464   5.058   1.531
  273    HA   ALA  34           HA       ALA  34   5.888   3.938   2.361
  274   1HB   ALA  34           HB1      ALA  34   4.293   3.763   0.095
  275   2HB   ALA  34           HB3      ALA  34   5.826   4.361  -0.530
  276   3HB   ALA  34           HB2      ALA  34   5.773   2.854   0.380
  277    H    ASN  35           HN       ASN  35   5.308   7.004   0.794
  278    HA   ASN  35           HA       ASN  35   7.954   7.611  -0.046
  279   1HB   ASN  35           HB2      ASN  35   6.053   8.994  -0.708
  280   2HB   ASN  35           HB1      ASN  35   5.780   9.462   0.968
  281   1HD2  ASN  35          HD22      ASN  35   9.214  10.885  -0.811
  282   2HD2  ASN  35          HD21      ASN  35   8.677   9.319  -1.187
  283    H    ASP  36           HN       ASP  36   6.342   8.112   3.062
  284    HA   ASP  36           HA       ASP  36   8.563   9.463   4.305
  285   1HB   ASP  36           HB2      ASP  36   6.077   8.108   5.292
  286   2HB   ASP  36           HB1      ASP  36   7.328   8.558   6.448
  287    H    ASN  37           HN       ASN  37   8.590   6.526   3.037
  288    HA   ASN  37           HA       ASN  37  10.445   5.443   5.125
  289   1HB   ASN  37           HB2      ASN  37   8.436   3.929   3.439
  290   2HB   ASN  37           HB1      ASN  37   9.680   3.159   4.421
  291   1HD2  ASN  37          HD22      ASN  37   6.365   4.726   6.193
  292   2HD2  ASN  37          HD21      ASN  37   6.631   4.911   4.527
  293    H    GLY  38           HN       GLY  38   9.695   5.915   1.761
  294   1HA   GLY  38           HA2      GLY  38  11.414   6.214   0.088
  295   2HA   GLY  38           HA1      GLY  38  12.523   5.297   1.103
  296    H    VAL  39           HN       VAL  39   9.256   4.254   0.419
  297    HA   VAL  39           HA       VAL  39  10.373   2.010  -1.228
  298    HB   VAL  39           HB       VAL  39   7.959   2.028   0.603
  299   1HG1  VAL  39          HG12      VAL  39   8.866   0.236  -1.562
  300   2HG1  VAL  39          HG11      VAL  39   8.533  -0.588  -0.041
  301   3HG1  VAL  39          HG13      VAL  39   7.277   0.373  -0.814
  302   1HG2  VAL  39          HG21      VAL  39  10.162   1.974   1.762
  303   2HG2  VAL  39          HG23      VAL  39   9.300   0.448   1.938
  304   3HG2  VAL  39          HG22      VAL  39  10.626   0.582   0.788
  305    H    ASP  40           HN       ASP  40  10.035   2.861  -3.263
  306    HA   ASP  40           HA       ASP  40   7.202   3.010  -4.102
  307   1HB   ASP  40           HB2      ASP  40   9.110   5.305  -4.090
  308   2HB   ASP  40           HB1      ASP  40   8.016   5.155  -5.463
  309    H    GLY  41           HN       GLY  41   6.886   2.267  -6.137
  310   1HA   GLY  41           HA2      GLY  41   8.577   2.377  -8.350
  311   2HA   GLY  41           HA1      GLY  41   9.085   0.935  -7.476
  312    H    GLU  42           HN       GLU  42   7.659  -0.818  -7.309
  313    HA   GLU  42           HA       GLU  42   5.528  -0.826  -9.385
  314   1HB   GLU  42           HB2      GLU  42   6.365  -3.249  -7.846
  315   2HB   GLU  42           HB1      GLU  42   5.810  -3.133  -9.511
  316   1HG   GLU  42           HG2      GLU  42   7.959  -1.813  -9.983
  317   2HG   GLU  42           HG1      GLU  42   8.512  -2.338  -8.395
  318    CH2  TRP  43           CH2      TRP  43   2.069   2.591  -2.231
  319    H    TRP  43           HN       TRP  43   3.428  -0.863  -8.841
  320    HA   TRP  43           HA       TRP  43   2.735  -1.369  -5.968
  321   1HB   TRP  43           HB2      TRP  43   1.753   0.681  -7.927
  322   2HB   TRP  43           HB1      TRP  43   0.755   0.205  -6.564
  323    HD1  TRP  43           HD1      TRP  43   4.348   1.436  -7.284
  324    HE1  TRP  43           HE1      TRP  43   5.050   2.810  -5.268
  325    HE3  TRP  43           HE3      TRP  43   0.352   0.702  -4.413
  326    HZ2  TRP  43           HZ2      TRP  43   3.986   3.456  -2.582
  327    HZ3  TRP  43           HZ3      TRP  43   0.175   1.612  -2.151
  328    HH2  TRP  43           HH2      TRP  43   1.989   2.989  -1.232
  329    H    THR  44           HN       THR  44   1.218  -2.842  -5.558
  330    HA   THR  44           HA       THR  44  -0.410  -3.880  -7.848
  331    HB   THR  44           HB       THR  44  -0.228  -6.138  -6.516
  332    HG1  THR  44           HG1      THR  44   1.851  -6.030  -5.367
  333   1HG2  THR  44          HG22      THR  44   2.282  -4.955  -7.771
  334   2HG2  THR  44          HG21      THR  44   1.941  -6.670  -7.561
  335   3HG2  THR  44          HG23      THR  44   0.984  -5.714  -8.689
  336    OH   TYR  45           OH       TYR  45  -8.993  -1.483  -3.093
  337    H    TYR  45           HN       TYR  45  -2.454  -4.720  -7.332
  338    HA   TYR  45           HA       TYR  45  -3.559  -3.884  -4.672
  339   1HB   TYR  45           HB2      TYR  45  -4.172  -2.470  -6.760
  340   2HB   TYR  45           HB1      TYR  45  -5.130  -3.864  -7.262
  341    HD1  TYR  45           HD1      TYR  45  -6.558  -4.804  -4.916
  342    HD2  TYR  45           HD2      TYR  45  -5.516  -0.806  -5.889
  343    HE1  TYR  45           HE1      TYR  45  -8.349  -3.994  -3.479
  344    HE2  TYR  45           HE2      TYR  45  -7.347   0.004  -4.490
  345    HH   TYR  45           HH       TYR  45  -9.281  -2.208  -2.536
  346    H    ASP  46           HN       ASP  46  -4.445  -5.540  -3.584
  347    HA   ASP  46           HA       ASP  46  -5.011  -8.066  -5.064
  348   1HB   ASP  46           HB2      ASP  46  -3.489  -7.881  -2.939
  349   2HB   ASP  46           HB1      ASP  46  -5.017  -7.836  -2.067
  350    H    ASP  47           HN       ASP  47  -6.997  -6.861  -5.849
  351    HA   ASP  47           HA       ASP  47  -9.129  -6.186  -4.071
  352   1HB   ASP  47           HB2      ASP  47  -9.167  -5.409  -6.363
  353   2HB   ASP  47           HB1      ASP  47  -9.170  -7.064  -6.969
  354    H    ALA  48           HN       ALA  48  -7.725  -9.103  -4.448
  355    HA   ALA  48           HA       ALA  48 -10.120 -10.777  -4.491
  356   1HB   ALA  48           HB1      ALA  48  -7.770 -11.411  -5.335
  357   2HB   ALA  48           HB3      ALA  48  -7.367 -11.663  -3.639
  358   3HB   ALA  48           HB2      ALA  48  -8.637 -12.621  -4.394
  359    H    THR  49           HN       THR  49  -8.206  -9.176  -2.100
  360    HA   THR  49           HA       THR  49 -10.013 -10.227  -0.002
  361    HB   THR  49           HB       THR  49  -8.178 -10.937   1.469
  362    HG1  THR  49           HG1      THR  49  -6.255 -10.599  -0.450
  363   1HG2  THR  49          HG22      THR  49  -8.843 -12.557  -0.419
  364   2HG2  THR  49          HG21      THR  49  -7.466 -11.924  -1.314
  365   3HG2  THR  49          HG23      THR  49  -7.213 -12.767   0.211
  366    H    LYS  50           HN       LYS  50  -9.219  -7.612  -1.399
  367    HA   LYS  50           HA       LYS  50  -8.964  -5.361  -0.763
  368   1HB   LYS  50           HB2      LYS  50  -9.829  -6.300   1.977
  369   2HB   LYS  50           HB1      LYS  50 -10.069  -4.711   1.259
  370   1HG   LYS  50           HG2      LYS  50 -11.443  -5.868  -0.553
  371   2HG   LYS  50           HG1      LYS  50 -11.374  -7.322   0.437
  372   1HD   LYS  50           HD2      LYS  50 -12.140  -5.476   2.299
  373   2HD   LYS  50           HD1      LYS  50 -12.908  -4.822   0.858
  374   1HE   LYS  50           HE2      LYS  50 -13.896  -7.078   0.412
  375   2HE   LYS  50           HE1      LYS  50 -13.201  -7.651   1.922
  376   1HZ   LYS  50           HZ1      LYS  50 -14.689  -5.231   2.245
  377   2HZ   LYS  50           HZ3      LYS  50 -15.639  -6.495   1.623
  378   3HZ   LYS  50           HZ2      LYS  50 -14.808  -6.700   3.089
  379    H    THR  51           HN       THR  51  -6.613  -6.308  -0.949
  380    HA   THR  51           HA       THR  51  -5.163  -5.358   1.476
  381    HB   THR  51           HB       THR  51  -5.029  -8.112   0.254
  382    HG1  THR  51           HG1      THR  51  -4.340  -7.589   2.840
  383   1HG2  THR  51          HG21      THR  51  -2.740  -6.716   1.693
  384   2HG2  THR  51          HG23      THR  51  -2.836  -8.441   1.395
  385   3HG2  THR  51          HG22      THR  51  -2.672  -7.327   0.046
  386    H    PHE  52           HN       PHE  52  -3.744  -3.807   0.806
  387    HA   PHE  52           HA       PHE  52  -3.078  -3.618  -2.042
  388   1HB   PHE  52           HB2      PHE  52  -3.052  -1.849   0.255
  389   2HB   PHE  52           HB1      PHE  52  -1.563  -1.733  -0.674
  390    HD1  PHE  52           HD1      PHE  52  -1.627  -1.041  -3.064
  391    HD2  PHE  52           HD2      PHE  52  -5.171  -1.247  -0.748
  392    HE1  PHE  52           HE1      PHE  52  -2.852   0.214  -4.798
  393    HE2  PHE  52           HE2      PHE  52  -6.348   0.109  -2.388
  394    HZ   PHE  52           HZ       PHE  52  -5.180   0.889  -4.393
  395    H    THR  53           HN       THR  53  -0.761  -3.281  -2.669
  396    HA   THR  53           HA       THR  53   1.271  -4.398  -0.884
  397    HB   THR  53           HB       THR  53   0.416  -5.925  -3.373
  398    HG1  THR  53           HG1      THR  53   0.235  -7.494  -1.552
  399   1HG2  THR  53          HG22      THR  53   2.906  -5.901  -1.754
  400   2HG2  THR  53          HG21      THR  53   2.167  -7.490  -1.935
  401   3HG2  THR  53          HG23      THR  53   2.636  -6.569  -3.361
  402    H    VAL  54           HN       VAL  54   3.336  -3.842  -1.528
  403    HA   VAL  54           HA       VAL  54   3.690  -2.676  -4.230
  404    HB   VAL  54           HB       VAL  54   2.980  -0.820  -2.671
  405   1HG1  VAL  54          HG13      VAL  54   4.172  -1.884  -0.696
  406   2HG1  VAL  54          HG12      VAL  54   5.677  -1.282  -1.380
  407   3HG1  VAL  54          HG11      VAL  54   4.421  -0.154  -0.881
  408   1HG2  VAL  54          HG23      VAL  54   5.775  -0.778  -3.842
  409   2HG2  VAL  54          HG22      VAL  54   4.296  -0.198  -4.588
  410   3HG2  VAL  54          HG21      VAL  54   4.979   0.654  -3.212
  411    H    THR  55           HN       THR  55   5.870  -2.632  -4.878
  412    HA   THR  55           HA       THR  55   7.866  -3.792  -3.001
  413    HB   THR  55           HB       THR  55   7.287  -4.966  -5.757
  414    HG1  THR  55           HG1      THR  55   5.765  -5.675  -4.359
  415   1HG2  THR  55          HG21      THR  55   9.487  -5.258  -3.782
  416   2HG2  THR  55          HG23      THR  55   8.746  -6.774  -4.287
  417   3HG2  THR  55          HG22      THR  55   9.457  -5.700  -5.483
  418    H    GLU  56           HN       GLU  56   9.569  -2.453  -3.067
  419    HA   GLU  56           HA       GLU  56   9.979  -0.467  -5.073
  420   1HB   GLU  56           HB2      GLU  56  11.110  -1.079  -2.613
  421   2HB   GLU  56           HB1      GLU  56  12.438  -1.307  -3.742
  422   1HG   GLU  56           HG2      GLU  56  11.834   0.954  -4.740
  423   2HG   GLU  56           HG1      GLU  56  10.729   1.174  -3.386
   
  Start of MODEL          59
 Raw file had 423 H/Q atoms
  Entry Start of MODEL   59
    1   1H    MET   1           HT2      MET   1 -13.569  -1.998   4.835
    2   2H    MET   1           HT1      MET   1 -14.309  -0.769   5.743
    3   3H    MET   1           HT3      MET   1 -15.184  -1.573   4.529
    4    HA   MET   1           HA       MET   1 -13.885  -0.617   2.819
    5   1HB   MET   1           HB2      MET   1 -15.674   0.802   4.082
    6   2HB   MET   1           HB1      MET   1 -14.290   1.675   4.726
    7   1HG   MET   1           HG2      MET   1 -13.491   2.075   2.427
    8   2HG   MET   1           HG1      MET   1 -14.872   1.225   1.792
    9   1HE   MET   1           HE1      MET   1 -13.830   3.912   4.189
   10   2HE   MET   1           HE3      MET   1 -15.020   5.202   4.030
   11   3HE   MET   1           HE2      MET   1 -15.445   3.709   4.868
   12    H    THR   2           HN       THR   2 -11.917  -1.775   4.372
   13    HA   THR   2           HA       THR   2  -9.801   0.314   4.217
   14    HB   THR   2           HB       THR   2  -9.906  -1.649   6.531
   15    HG1  THR   2           HG1      THR   2 -11.705  -0.406   6.756
   16   1HG2  THR   2          HG21      THR   2  -7.825  -0.133   5.774
   17   2HG2  THR   2          HG23      THR   2  -8.761   1.124   6.574
   18   3HG2  THR   2          HG22      THR   2  -8.244  -0.296   7.476
   19    OH   TYR   3           OH       TYR   3 -11.673   0.191  -0.990
   20    H    TYR   3           HN       TYR   3  -7.866  -0.433   3.436
   21    HA   TYR   3           HA       TYR   3  -7.746  -3.358   2.771
   22   1HB   TYR   3           HB2      TYR   3  -6.175  -1.248   1.322
   23   2HB   TYR   3           HB1      TYR   3  -6.641  -2.846   0.764
   24    HD1  TYR   3           HD1      TYR   3  -8.045   0.483   1.702
   25    HD2  TYR   3           HD2      TYR   3  -8.676  -3.145  -0.411
   26    HE1  TYR   3           HE1      TYR   3 -10.080   1.416   0.701
   27    HE2  TYR   3           HE2      TYR   3 -10.705  -2.214  -1.419
   28    HH   TYR   3           HH       TYR   3 -12.412  -0.368  -0.737
   29    H    LYS   4           HN       LYS   4  -5.641  -4.349   2.837
   30    HA   LYS   4           HA       LYS   4  -3.900  -3.111   4.929
   31   1HB   LYS   4           HB2      LYS   4  -5.057  -5.528   4.998
   32   2HB   LYS   4           HB1      LYS   4  -3.614  -5.966   4.102
   33   1HG   LYS   4           HG2      LYS   4  -2.428  -4.532   6.032
   34   2HG   LYS   4           HG1      LYS   4  -3.870  -5.011   6.921
   35   1HD   LYS   4           HD2      LYS   4  -1.984  -6.909   5.482
   36   2HD   LYS   4           HD1      LYS   4  -2.051  -6.662   7.223
   37   1HE   LYS   4           HE2      LYS   4  -4.267  -7.761   5.462
   38   2HE   LYS   4           HE1      LYS   4  -3.357  -8.643   6.680
   39   1HZ   LYS   4           HZ3      LYS   4  -4.243  -6.918   8.291
   40   2HZ   LYS   4           HZ2      LYS   4  -5.352  -6.503   7.073
   41   3HZ   LYS   4           HZ1      LYS   4  -5.341  -8.077   7.713
   42    H    LEU   5           HN       LEU   5  -1.994  -2.308   4.265
   43    HA   LEU   5           HA       LEU   5  -1.023  -2.970   1.563
   44   1HB   LEU   5           HB2      LEU   5  -0.914  -0.645   2.139
   45   2HB   LEU   5           HB1      LEU   5  -0.151  -0.985   3.680
   46    HG   LEU   5           HG       LEU   5   1.892  -1.826   2.386
   47   1HD1  LEU   5          HD12      LEU   5   0.395  -0.569   0.063
   48   2HD1  LEU   5          HD11      LEU   5   2.056  -1.146   0.014
   49   3HD1  LEU   5          HD13      LEU   5   0.736  -2.286   0.233
   50   1HD2  LEU   5          HD23      LEU   5   1.570   0.537   3.312
   51   2HD2  LEU   5          HD22      LEU   5   2.756   0.360   2.025
   52   3HD2  LEU   5          HD21      LEU   5   1.164   1.010   1.668
   53    H    ILE   6           HN       ILE   6   1.046  -3.813   1.137
   54    HA   ILE   6           HA       ILE   6   2.475  -5.069   3.396
   55    HB   ILE   6           HB       ILE   6   1.599  -6.318   0.800
   56   1HG1  ILE   6          HG12      ILE   6   1.552  -7.301   3.678
   57   2HG1  ILE   6          HG11      ILE   6   0.201  -6.490   2.904
   58   1HG2  ILE   6          HG21      ILE   6   3.936  -7.035   2.582
   59   2HG2  ILE   6          HG23      ILE   6   3.133  -8.255   1.602
   60   3HG2  ILE   6          HG22      ILE   6   3.909  -6.882   0.829
   61   1HD1  ILE   6           HD1      ILE   6   0.687  -8.423   1.052
   62   2HD1  ILE   6           HD3      ILE   6   1.227  -9.258   2.504
   63   3HD1  ILE   6           HD2      ILE   6  -0.420  -8.649   2.401
   64    H    LEU   7           HN       LEU   7   4.281  -3.836   3.452
   65    HA   LEU   7           HA       LEU   7   5.473  -2.759   1.017
   66   1HB   LEU   7           HB2      LEU   7   6.172  -2.652   3.933
   67   2HB   LEU   7           HB1      LEU   7   7.311  -2.081   2.720
   68    HG   LEU   7           HG       LEU   7   4.503  -1.142   2.430
   69   1HD1  LEU   7          HD12      LEU   7   6.363  -0.245   4.654
   70   2HD1  LEU   7          HD11      LEU   7   4.968   0.686   4.118
   71   3HD1  LEU   7          HD13      LEU   7   4.743  -0.907   4.835
   72   1HD2  LEU   7          HD21      LEU   7   6.525  -0.519   0.983
   73   2HD2  LEU   7          HD23      LEU   7   5.598   0.835   1.619
   74   3HD2  LEU   7          HD22      LEU   7   7.124   0.379   2.373
   75    H    ASN   8           HN       ASN   8   6.700  -3.922  -0.304
   76    HA   ASN   8           HA       ASN   8   8.357  -6.116   0.861
   77   1HB   ASN   8           HB2      ASN   8   6.755  -5.825  -1.565
   78   2HB   ASN   8           HB1      ASN   8   8.377  -6.382  -1.913
   79   1HD2  ASN   8          HD22      ASN   8   5.802  -9.029  -0.664
   80   2HD2  ASN   8          HD21      ASN   8   5.455  -7.601  -1.502
   81    H    GLY   9           HN       GLY   9   9.145  -3.432   1.101
   82   1HA   GLY   9           HA2      GLY   9  10.777  -2.312  -0.845
   83   2HA   GLY   9           HA1      GLY   9  11.147  -2.208   0.868
   84    H    LYS  10           HN       LYS  10  12.997  -2.448  -1.348
   85    HA   LYS  10           HA       LYS  10  14.010  -5.055  -1.752
   86   1HB   LYS  10           HB2      LYS  10  14.894  -2.350  -2.197
   87   2HB   LYS  10           HB1      LYS  10  16.227  -3.299  -1.553
   88   1HG   LYS  10           HG2      LYS  10  15.979  -4.958  -3.305
   89   2HG   LYS  10           HG1      LYS  10  14.490  -4.209  -3.871
   90   1HD   LYS  10           HD2      LYS  10  16.409  -3.565  -5.299
   91   2HD   LYS  10           HD1      LYS  10  15.735  -2.163  -4.475
   92   1HE   LYS  10           HE2      LYS  10  17.557  -1.956  -3.049
   93   2HE   LYS  10           HE1      LYS  10  17.936  -3.673  -3.112
   94   1HZ   LYS  10           HZ3      LYS  10  18.196  -2.499  -5.675
   95   2HZ   LYS  10           HZ2      LYS  10  19.137  -1.655  -4.541
   96   3HZ   LYS  10           HZ1      LYS  10  19.354  -3.327  -4.749
   97    H    THR  11           HN       THR  11  15.319  -2.636   0.489
   98    HA   THR  11           HA       THR  11  16.333  -4.864   2.189
   99    HB   THR  11           HB       THR  11  17.675  -2.850   3.210
  100    HG1  THR  11           HG1      THR  11  16.882  -1.089   2.314
  101   1HG2  THR  11          HG21      THR  11  18.045  -4.286   0.648
  102   2HG2  THR  11          HG23      THR  11  18.899  -2.749   0.739
  103   3HG2  THR  11          HG22      THR  11  19.212  -4.003   1.935
  104    H    LEU  12           HN       LEU  12  13.570  -3.449   2.030
  105    HA   LEU  12           HA       LEU  12  13.280  -3.266   4.978
  106   1HB   LEU  12           HB2      LEU  12  13.735  -0.954   3.892
  107   2HB   LEU  12           HB1      LEU  12  12.099  -1.096   3.259
  108    HG   LEU  12           HG       LEU  12  11.614  -1.767   5.826
  109   1HD1  LEU  12          HD13      LEU  12  14.177  -1.325   6.186
  110   2HD1  LEU  12          HD12      LEU  12  13.715   0.373   6.139
  111   3HD1  LEU  12          HD11      LEU  12  13.034  -0.692   7.366
  112   1HD2  LEU  12          HD23      LEU  12  11.899   1.030   4.676
  113   2HD2  LEU  12          HD22      LEU  12  10.460   0.018   4.629
  114   3HD2  LEU  12          HD21      LEU  12  11.034   0.662   6.165
  115    H    LYS  13           HN       LYS  13  11.213  -3.755   5.708
  116    HA   LYS  13           HA       LYS  13   9.095  -4.215   3.689
  117   1HB   LYS  13           HB2      LYS  13   9.942  -6.370   5.638
  118   2HB   LYS  13           HB1      LYS  13   8.691  -6.497   4.409
  119   1HG   LYS  13           HG2      LYS  13  10.484  -6.002   2.678
  120   2HG   LYS  13           HG1      LYS  13  11.672  -6.169   3.966
  121   1HD   LYS  13           HD2      LYS  13  10.281  -8.441   4.380
  122   2HD   LYS  13           HD1      LYS  13   9.990  -8.253   2.654
  123   1HE   LYS  13           HE2      LYS  13  12.506  -7.911   2.392
  124   2HE   LYS  13           HE1      LYS  13  12.665  -8.431   4.064
  125   1HZ   LYS  13           HZ2      LYS  13  11.387 -10.467   3.371
  126   2HZ   LYS  13           HZ1      LYS  13  11.647  -9.982   1.764
  127   3HZ   LYS  13           HZ3      LYS  13  12.970 -10.335   2.770
  128    H    GLY  14           HN       GLY  14   6.973  -4.396   4.624
  129   1HA   GLY  14           HA2      GLY  14   6.513  -4.223   7.456
  130   2HA   GLY  14           HA1      GLY  14   6.458  -2.613   6.746
  131    H    GLU  15           HN       GLU  15   4.192  -2.769   7.562
  132    HA   GLU  15           HA       GLU  15   2.371  -3.257   5.403
  133   1HB   GLU  15           HB2      GLU  15   1.095  -5.133   6.367
  134   2HB   GLU  15           HB1      GLU  15   2.750  -5.622   6.028
  135   1HG   GLU  15           HG2      GLU  15   3.221  -4.894   8.495
  136   2HG   GLU  15           HG1      GLU  15   1.474  -5.015   8.692
  137    H    THR  16           HN       THR  16   0.595  -2.034   5.737
  138    HA   THR  16           HA       THR  16  -0.339  -1.493   8.486
  139    HB   THR  16           HB       THR  16   1.445   0.266   7.999
  140    HG1  THR  16           HG1      THR  16  -1.318   0.774   8.353
  141   1HG2  THR  16          HG22      THR  16   0.284   0.414   5.498
  142   2HG2  THR  16          HG21      THR  16  -0.514   1.738   6.338
  143   3HG2  THR  16          HG23      THR  16   1.242   1.705   6.212
  144    H    THR  17           HN       THR  17  -2.446  -0.492   8.532
  145    HA   THR  17           HA       THR  17  -3.936  -0.890   5.960
  146    HB   THR  17           HB       THR  17  -5.802  -1.657   7.229
  147    HG1  THR  17           HG1      THR  17  -5.243  -1.183   9.700
  148   1HG2  THR  17          HG21      THR  17  -3.380  -2.893   7.744
  149   2HG2  THR  17          HG23      THR  17  -3.915  -2.458   9.363
  150   3HG2  THR  17          HG22      THR  17  -4.930  -3.473   8.344
  151    H    THR  18           HN       THR  18  -5.274   0.684   5.210
  152    HA   THR  18           HA       THR  18  -5.637   3.138   6.868
  153    HB   THR  18           HB       THR  18  -3.709   3.296   5.082
  154    HG1  THR  18           HG1      THR  18  -5.910   5.096   5.024
  155   1HG2  THR  18          HG22      THR  18  -5.495   2.393   3.296
  156   2HG2  THR  18          HG21      THR  18  -5.997   4.082   3.298
  157   3HG2  THR  18          HG23      THR  18  -4.348   3.653   2.852
  158    H    GLU  19           HN       GLU  19  -7.523   4.317   6.413
  159    HA   GLU  19           HA       GLU  19  -9.637   2.722   5.104
  160   1HB   GLU  19           HB2      GLU  19  -9.673   5.263   6.742
  161   2HB   GLU  19           HB1      GLU  19 -11.116   4.595   5.988
  162   1HG   GLU  19           HG2      GLU  19 -10.983   3.775   8.284
  163   2HG   GLU  19           HG1      GLU  19 -10.674   2.431   7.190
  164    H    ALA  20           HN       ALA  20 -10.386   3.103   3.113
  165    HA   ALA  20           HA       ALA  20  -9.986   5.801   1.906
  166   1HB   ALA  20           HB1      ALA  20  -8.715   3.279   1.075
  167   2HB   ALA  20           HB3      ALA  20  -9.502   4.155  -0.235
  168   3HB   ALA  20           HB2      ALA  20  -8.249   4.938   0.723
  169    H    VAL  21           HN       VAL  21 -11.627   6.432   0.558
  170    HA   VAL  21           HA       VAL  21 -14.059   4.806   0.608
  171    HB   VAL  21           HB       VAL  21 -14.053   7.311   0.832
  172   1HG1  VAL  21          HG11      VAL  21 -12.292   7.583  -1.003
  173   2HG1  VAL  21          HG13      VAL  21 -13.579   7.283  -2.163
  174   3HG1  VAL  21          HG12      VAL  21 -13.660   8.682  -1.101
  175   1HG2  VAL  21          HG23      VAL  21 -16.085   6.045   0.161
  176   2HG2  VAL  21          HG22      VAL  21 -16.031   7.629  -0.606
  177   3HG2  VAL  21          HG21      VAL  21 -15.606   6.189  -1.527
  178    H    ASP  22           HN       ASP  22 -11.451   5.351  -1.578
  179    HA   ASP  22           HA       ASP  22 -12.775   3.551  -3.541
  180   1HB   ASP  22           HB2      ASP  22 -12.029   5.015  -5.415
  181   2HB   ASP  22           HB1      ASP  22 -13.211   5.808  -4.378
  182    H    ALA  23           HN       ALA  23 -11.210   2.703  -5.150
  183    HA   ALA  23           HA       ALA  23  -8.789   1.832  -3.807
  184   1HB   ALA  23           HB2      ALA  23 -10.138   1.294  -6.401
  185   2HB   ALA  23           HB1      ALA  23  -8.402   1.000  -6.341
  186   3HB   ALA  23           HB3      ALA  23  -9.476   0.163  -5.224
  187    H    ALA  24           HN       ALA  24  -9.599   4.429  -5.905
  188    HA   ALA  24           HA       ALA  24  -6.947   4.876  -6.985
  189   1HB   ALA  24           HB1      ALA  24  -9.557   6.077  -7.206
  190   2HB   ALA  24           HB3      ALA  24  -8.349   7.329  -6.930
  191   3HB   ALA  24           HB2      ALA  24  -8.180   6.227  -8.294
  192    H    THR  25           HN       THR  25  -8.809   6.532  -4.430
  193    HA   THR  25           HA       THR  25  -6.617   8.186  -3.619
  194    HB   THR  25           HB       THR  25  -9.076   8.569  -3.025
  195    HG1  THR  25           HG1      THR  25  -6.880   8.551  -1.239
  196   1HG2  THR  25          HG21      THR  25  -9.254   6.145  -2.034
  197   2HG2  THR  25          HG23      THR  25  -8.388   6.820  -0.659
  198   3HG2  THR  25          HG22      THR  25  -9.960   7.464  -1.107
  199    H    ALA  26           HN       ALA  26  -7.448   4.897  -2.947
  200    HA   ALA  26           HA       ALA  26  -5.912   4.602  -0.531
  201   1HB   ALA  26           HB3      ALA  26  -6.604   2.556  -2.663
  202   2HB   ALA  26           HB2      ALA  26  -5.946   2.174  -1.074
  203   3HB   ALA  26           HB1      ALA  26  -7.545   2.899  -1.213
  204    H    GLU  27           HN       GLU  27  -5.162   4.390  -3.962
  205    HA   GLU  27           HA       GLU  27  -2.505   3.386  -3.726
  206   1HB   GLU  27           HB2      GLU  27  -3.851   5.134  -5.792
  207   2HB   GLU  27           HB1      GLU  27  -2.194   4.579  -5.964
  208   1HG   GLU  27           HG2      GLU  27  -2.998   2.224  -5.710
  209   2HG   GLU  27           HG1      GLU  27  -4.649   2.829  -5.666
  210    H    LYS  28           HN       LYS  28  -3.716   6.724  -3.946
  211    HA   LYS  28           HA       LYS  28  -1.120   7.933  -3.631
  212   1HB   LYS  28           HB2      LYS  28  -3.558   9.383  -2.711
  213   2HB   LYS  28           HB1      LYS  28  -2.215   9.961  -3.686
  214   1HG   LYS  28           HG2      LYS  28  -3.062   8.402  -5.541
  215   2HG   LYS  28           HG1      LYS  28  -4.512   8.190  -4.579
  216   1HD   LYS  28           HD2      LYS  28  -3.550  10.974  -5.250
  217   2HD   LYS  28           HD1      LYS  28  -4.483  10.058  -6.418
  218   1HE   LYS  28           HE2      LYS  28  -5.509  10.234  -3.607
  219   2HE   LYS  28           HE1      LYS  28  -5.695  11.628  -4.658
  220   1HZ   LYS  28           HZ3      LYS  28  -6.503   8.927  -5.530
  221   2HZ   LYS  28           HZ2      LYS  28  -7.547   9.920  -4.631
  222   3HZ   LYS  28           HZ1      LYS  28  -6.987  10.434  -6.150
  223    H    VAL  29           HN       VAL  29  -3.735   7.191  -1.367
  224    HA   VAL  29           HA       VAL  29  -2.615   8.406   0.939
  225    HB   VAL  29           HB       VAL  29  -4.345   5.936   0.684
  226   1HG1  VAL  29          HG12      VAL  29  -3.447   7.555   3.081
  227   2HG1  VAL  29          HG11      VAL  29  -4.903   6.566   3.114
  228   3HG1  VAL  29          HG13      VAL  29  -3.334   5.813   2.849
  229   1HG2  VAL  29          HG23      VAL  29  -4.954   8.516   0.043
  230   2HG2  VAL  29          HG22      VAL  29  -6.136   7.370   0.668
  231   3HG2  VAL  29          HG21      VAL  29  -5.356   8.513   1.758
  232    H    PHE  30           HN       PHE  30  -2.463   4.963   0.025
  233    HA   PHE  30           HA       PHE  30  -0.538   4.269   2.007
  234   1HB   PHE  30           HB2      PHE  30  -1.468   3.023  -0.554
  235   2HB   PHE  30           HB1      PHE  30  -0.021   2.384   0.211
  236    HD1  PHE  30           HD1      PHE  30  -0.377   2.197   2.968
  237    HD2  PHE  30           HD2      PHE  30  -3.424   1.868   0.001
  238    HE1  PHE  30           HE1      PHE  30  -1.792   0.949   4.544
  239    HE2  PHE  30           HE2      PHE  30  -4.805   0.598   1.582
  240    HZ   PHE  30           HZ       PHE  30  -3.987   0.114   3.839
  241    H    LYS  31           HN       LYS  31  -0.183   5.446  -1.301
  242    HA   LYS  31           HA       LYS  31   2.636   5.040  -1.522
  243   1HB   LYS  31           HB2      LYS  31   1.225   5.602  -3.458
  244   2HB   LYS  31           HB1      LYS  31   0.923   7.197  -2.775
  245   1HG   LYS  31           HG2      LYS  31   3.274   7.783  -2.940
  246   2HG   LYS  31           HG1      LYS  31   3.693   6.142  -3.420
  247   1HD   LYS  31           HD2      LYS  31   2.416   6.376  -5.490
  248   2HD   LYS  31           HD1      LYS  31   1.848   7.967  -4.995
  249   1HE   LYS  31           HE2      LYS  31   4.278   8.692  -4.885
  250   2HE   LYS  31           HE1      LYS  31   4.700   7.155  -5.631
  251   1HZ   LYS  31           HZ3      LYS  31   3.197   7.744  -7.478
  252   2HZ   LYS  31           HZ2      LYS  31   2.978   9.277  -6.779
  253   3HZ   LYS  31           HZ1      LYS  31   4.517   8.802  -7.319
  254    H    GLN  32           HN       GLN  32   0.722   7.633  -0.131
  255    HA   GLN  32           HA       GLN  32   2.860   9.475   0.318
  256   1HB   GLN  32           HB2      GLN  32   0.437  10.032   0.563
  257   2HB   GLN  32           HB1      GLN  32   0.388   9.049   2.021
  258   1HG   GLN  32           HG2      GLN  32   2.628  10.824   2.228
  259   2HG   GLN  32           HG1      GLN  32   1.218  11.775   1.767
  260   1HE2  GLN  32          HE22      GLN  32  -0.258  11.543   4.944
  261   2HE2  GLN  32          HE21      GLN  32  -0.253  12.263   3.407
  262    OH   TYR  33           OH       TYR  33   4.879   2.599   8.427
  263    H    TYR  33           HN       TYR  33   1.771   6.626   1.999
  264    HA   TYR  33           HA       TYR  33   3.363   7.068   4.387
  265   1HB   TYR  33           HB2      TYR  33   1.367   5.611   4.403
  266   2HB   TYR  33           HB1      TYR  33   2.165   4.515   3.280
  267    HD1  TYR  33           HD1      TYR  33   4.270   3.333   4.004
  268    HD2  TYR  33           HD2      TYR  33   1.892   5.553   6.743
  269    HE1  TYR  33           HE1      TYR  33   5.375   2.206   5.876
  270    HE2  TYR  33           HE2      TYR  33   2.993   4.419   8.617
  271    HH   TYR  33           HH       TYR  33   5.816   2.798   8.383
  272    H    ALA  34           HN       ALA  34   3.660   4.623   1.818
  273    HA   ALA  34           HA       ALA  34   6.196   3.645   2.431
  274   1HB   ALA  34           HB3      ALA  34   4.528   3.094   0.457
  275   2HB   ALA  34           HB2      ALA  34   5.559   4.202  -0.443
  276   3HB   ALA  34           HB1      ALA  34   6.247   2.754   0.285
  277    H    ASN  35           HN       ASN  35   5.356   6.651   0.829
  278    HA   ASN  35           HA       ASN  35   7.921   7.394  -0.129
  279   1HB   ASN  35           HB2      ASN  35   5.604   8.553  -0.431
  280   2HB   ASN  35           HB1      ASN  35   6.025   9.410   1.050
  281   1HD2  ASN  35          HD22      ASN  35   7.347  11.149  -2.095
  282   2HD2  ASN  35          HD21      ASN  35   5.831  10.457  -1.772
  283    H    ASP  36           HN       ASP  36   6.474   7.690   3.066
  284    HA   ASP  36           HA       ASP  36   8.543   9.321   4.214
  285   1HB   ASP  36           HB2      ASP  36   6.516   7.426   5.411
  286   2HB   ASP  36           HB1      ASP  36   7.661   8.325   6.405
  287    H    ASN  37           HN       ASN  37   8.879   6.417   2.844
  288    HA   ASN  37           HA       ASN  37  11.118   5.645   4.677
  289   1HB   ASN  37           HB2      ASN  37   9.047   3.902   3.349
  290   2HB   ASN  37           HB1      ASN  37  10.602   3.251   3.861
  291   1HD2  ASN  37          HD22      ASN  37   7.745   4.066   6.620
  292   2HD2  ASN  37          HD21      ASN  37   7.480   4.327   4.964
  293    H    GLY  38           HN       GLY  38   9.987   6.207   1.475
  294   1HA   GLY  38           HA2      GLY  38  11.484   6.726  -0.348
  295   2HA   GLY  38           HA1      GLY  38  12.754   5.825   0.476
  296    H    VAL  39           HN       VAL  39   9.702   4.305   0.414
  297    HA   VAL  39           HA       VAL  39  10.745   2.330  -1.548
  298    HB   VAL  39           HB       VAL  39   8.535   2.243   0.513
  299   1HG1  VAL  39          HG12      VAL  39   9.044   0.521  -1.890
  300   2HG1  VAL  39          HG11      VAL  39   8.539  -0.267  -0.399
  301   3HG1  VAL  39          HG13      VAL  39   7.514   0.961  -1.137
  302   1HG2  VAL  39          HG23      VAL  39  11.117   1.830   0.922
  303   2HG2  VAL  39          HG22      VAL  39   9.936   0.735   1.633
  304   3HG2  VAL  39          HG21      VAL  39  10.787   0.277   0.162
  305    H    ASP  40           HN       ASP  40  10.259   2.976  -3.582
  306    HA   ASP  40           HA       ASP  40   7.408   3.173  -4.294
  307   1HB   ASP  40           HB2      ASP  40   9.254   5.494  -4.250
  308   2HB   ASP  40           HB1      ASP  40   8.238   5.341  -5.680
  309    H    GLY  41           HN       GLY  41   7.089   2.154  -6.168
  310   1HA   GLY  41           HA2      GLY  41   8.735   2.398  -8.484
  311   2HA   GLY  41           HA1      GLY  41   9.187   0.920  -7.636
  312    H    GLU  42           HN       GLU  42   7.577  -0.714  -7.337
  313    HA   GLU  42           HA       GLU  42   5.452  -0.619  -9.438
  314   1HB   GLU  42           HB2      GLU  42   6.470  -3.051  -7.981
  315   2HB   GLU  42           HB1      GLU  42   5.550  -3.007  -9.479
  316   1HG   GLU  42           HG2      GLU  42   7.456  -1.824 -10.580
  317   2HG   GLU  42           HG1      GLU  42   8.381  -1.970  -9.087
  318    CH2  TRP  43           CH2      TRP  43   2.096   2.488  -2.107
  319    H    TRP  43           HN       TRP  43   3.346  -0.778  -8.874
  320    HA   TRP  43           HA       TRP  43   2.729  -1.293  -5.985
  321   1HB   TRP  43           HB2      TRP  43   1.720   0.805  -7.878
  322   2HB   TRP  43           HB1      TRP  43   0.730   0.294  -6.521
  323    HD1  TRP  43           HD1      TRP  43   4.307   1.568  -7.240
  324    HE1  TRP  43           HE1      TRP  43   5.025   2.873  -5.182
  325    HE3  TRP  43           HE3      TRP  43   0.362   0.686  -4.343
  326    HZ2  TRP  43           HZ2      TRP  43   4.001   3.388  -2.449
  327    HZ3  TRP  43           HZ3      TRP  43   0.215   1.488  -2.041
  328    HH2  TRP  43           HH2      TRP  43   2.030   2.836  -1.087
  329    H    THR  44           HN       THR  44   1.211  -2.770  -5.564
  330    HA   THR  44           HA       THR  44  -0.429  -3.788  -7.862
  331    HB   THR  44           HB       THR  44  -0.328  -6.024  -6.488
  332    HG1  THR  44           HG1      THR  44   1.677  -5.964  -5.258
  333   1HG2  THR  44          HG23      THR  44   1.944  -4.755  -8.023
  334   2HG2  THR  44          HG22      THR  44   2.174  -6.328  -7.265
  335   3HG2  THR  44          HG21      THR  44   0.933  -6.116  -8.496
  336    OH   TYR  45           OH       TYR  45  -8.867  -1.313  -3.043
  337    H    TYR  45           HN       TYR  45  -2.392  -4.977  -7.133
  338    HA   TYR  45           HA       TYR  45  -3.559  -3.931  -4.596
  339   1HB   TYR  45           HB2      TYR  45  -4.108  -2.525  -6.718
  340   2HB   TYR  45           HB1      TYR  45  -5.114  -3.894  -7.191
  341    HD1  TYR  45           HD1      TYR  45  -6.565  -4.753  -4.838
  342    HD2  TYR  45           HD2      TYR  45  -5.375  -0.803  -5.855
  343    HE1  TYR  45           HE1      TYR  45  -8.322  -3.855  -3.407
  344    HE2  TYR  45           HE2      TYR  45  -7.168   0.095  -4.462
  345    HH   TYR  45           HH       TYR  45  -9.035  -0.409  -3.320
  346    H    ASP  46           HN       ASP  46  -4.486  -5.578  -3.518
  347    HA   ASP  46           HA       ASP  46  -5.154  -8.069  -5.035
  348   1HB   ASP  46           HB2      ASP  46  -3.468  -8.051  -3.070
  349   2HB   ASP  46           HB1      ASP  46  -4.887  -7.881  -2.043
  350    H    ASP  47           HN       ASP  47  -7.201  -7.012  -5.671
  351    HA   ASP  47           HA       ASP  47  -9.178  -6.273  -3.716
  352   1HB   ASP  47           HB2      ASP  47  -9.398  -5.510  -6.009
  353   2HB   ASP  47           HB1      ASP  47  -9.459  -7.170  -6.596
  354    H    ALA  48           HN       ALA  48  -7.787  -9.168  -4.135
  355    HA   ALA  48           HA       ALA  48 -10.133 -10.900  -4.080
  356   1HB   ALA  48           HB3      ALA  48  -7.622 -11.387  -4.803
  357   2HB   ALA  48           HB2      ALA  48  -7.466 -11.831  -3.106
  358   3HB   ALA  48           HB1      ALA  48  -8.634 -12.661  -4.129
  359    H    THR  49           HN       THR  49  -8.099  -9.321  -1.738
  360    HA   THR  49           HA       THR  49  -9.951 -10.220   0.396
  361    HB   THR  49           HB       THR  49  -8.035 -10.866   1.881
  362    HG1  THR  49           HG1      THR  49  -6.028 -10.609   1.076
  363   1HG2  THR  49          HG23      THR  49  -9.069 -12.573   0.210
  364   2HG2  THR  49          HG22      THR  49  -7.659 -12.245  -0.793
  365   3HG2  THR  49          HG21      THR  49  -7.454 -12.936   0.812
  366    H    LYS  50           HN       LYS  50  -9.113  -7.705  -1.088
  367    HA   LYS  50           HA       LYS  50  -8.760  -5.450  -0.573
  368   1HB   LYS  50           HB2      LYS  50  -9.763  -6.371   2.134
  369   2HB   LYS  50           HB1      LYS  50  -9.655  -4.696   1.608
  370   1HG   LYS  50           HG2      LYS  50 -11.501  -4.863   0.276
  371   2HG   LYS  50           HG1      LYS  50 -11.082  -6.484  -0.266
  372   1HD   LYS  50           HD2      LYS  50 -13.147  -6.483   1.123
  373   2HD   LYS  50           HD1      LYS  50 -11.860  -7.423   1.872
  374   1HE   LYS  50           HE2      LYS  50 -11.564  -5.910   3.581
  375   2HE   LYS  50           HE1      LYS  50 -11.954  -4.529   2.564
  376   1HZ   LYS  50           HZ3      LYS  50 -14.283  -5.922   2.685
  377   2HZ   LYS  50           HZ2      LYS  50 -13.657  -6.081   4.255
  378   3HZ   LYS  50           HZ1      LYS  50 -13.902  -4.537   3.590
  379    H    THR  51           HN       THR  51  -6.452  -6.411  -0.769
  380    HA   THR  51           HA       THR  51  -4.935  -5.457   1.618
  381    HB   THR  51           HB       THR  51  -4.673  -8.165   0.262
  382    HG1  THR  51           HG1      THR  51  -5.066  -7.008   2.806
  383   1HG2  THR  51          HG21      THR  51  -2.680  -6.828   2.135
  384   2HG2  THR  51          HG23      THR  51  -2.616  -8.496   1.598
  385   3HG2  THR  51          HG22      THR  51  -2.354  -7.194   0.447
  386    H    PHE  52           HN       PHE  52  -3.706  -3.797   0.861
  387    HA   PHE  52           HA       PHE  52  -3.017  -3.624  -1.967
  388   1HB   PHE  52           HB2      PHE  52  -3.034  -1.863   0.318
  389   2HB   PHE  52           HB1      PHE  52  -1.509  -1.742  -0.551
  390    HD1  PHE  52           HD1      PHE  52  -1.523  -1.172  -3.011
  391    HD2  PHE  52           HD2      PHE  52  -5.070  -1.144  -0.699
  392    HE1  PHE  52           HE1      PHE  52  -2.679   0.103  -4.774
  393    HE2  PHE  52           HE2      PHE  52  -6.176   0.242  -2.371
  394    HZ   PHE  52           HZ       PHE  52  -4.970   0.904  -4.395
  395    H    THR  53           HN       THR  53  -0.725  -3.358  -2.665
  396    HA   THR  53           HA       THR  53   1.337  -4.392  -0.858
  397    HB   THR  53           HB       THR  53   0.519  -5.999  -3.307
  398    HG1  THR  53           HG1      THR  53  -0.818  -6.185  -1.456
  399   1HG2  THR  53          HG21      THR  53   2.982  -5.879  -1.751
  400   2HG2  THR  53          HG23      THR  53   2.186  -7.433  -1.522
  401   3HG2  THR  53          HG22      THR  53   2.620  -6.897  -3.141
  402    H    VAL  54           HN       VAL  54   3.294  -3.607  -1.401
  403    HA   VAL  54           HA       VAL  54   3.691  -2.602  -4.185
  404    HB   VAL  54           HB       VAL  54   3.024  -0.721  -2.628
  405   1HG1  VAL  54          HG13      VAL  54   4.228  -1.772  -0.655
  406   2HG1  VAL  54          HG12      VAL  54   5.734  -1.213  -1.373
  407   3HG1  VAL  54          HG11      VAL  54   4.511  -0.051  -0.874
  408   1HG2  VAL  54          HG21      VAL  54   5.782  -0.753  -3.877
  409   2HG2  VAL  54          HG23      VAL  54   4.299  -0.109  -4.557
  410   3HG2  VAL  54          HG22      VAL  54   5.069   0.702  -3.203
  411    H    THR  55           HN       THR  55   5.865  -2.615  -4.855
  412    HA   THR  55           HA       THR  55   7.851  -3.795  -2.974
  413    HB   THR  55           HB       THR  55   7.242  -4.997  -5.710
  414    HG1  THR  55           HG1      THR  55   5.668  -5.439  -4.147
  415   1HG2  THR  55          HG23      THR  55   9.410  -5.335  -3.709
  416   2HG2  THR  55          HG22      THR  55   8.609  -6.832  -4.178
  417   3HG2  THR  55          HG21      THR  55   9.371  -5.822  -5.396
  418    H    GLU  56           HN       GLU  56   9.561  -2.466  -3.060
  419    HA   GLU  56           HA       GLU  56  10.010  -0.595  -5.200
  420   1HB   GLU  56           HB2      GLU  56  10.928  -0.830  -2.634
  421   2HB   GLU  56           HB1      GLU  56  12.348  -1.324  -3.545
  422   1HG   GLU  56           HG2      GLU  56  10.783   1.244  -4.006
  423   2HG   GLU  56           HG1      GLU  56  12.323   1.130  -3.160
   
  Start of MODEL          60
 Raw file had 423 H/Q atoms
  Entry Start of MODEL   60
    1   1H    MET   1           HT3      MET   1 -12.615  -0.039   1.144
    2   2H    MET   1           HT2      MET   1 -13.558  -1.435   1.359
    3   3H    MET   1           HT1      MET   1 -14.282   0.099   1.435
    4    HA   MET   1           HA       MET   1 -13.672   0.449   3.543
    5   1HB   MET   1           HB2      MET   1 -14.484  -2.089   3.243
    6   2HB   MET   1           HB1      MET   1 -12.859  -2.402   3.838
    7   1HG   MET   1           HG2      MET   1 -13.492  -0.566   5.622
    8   2HG   MET   1           HG1      MET   1 -15.129  -0.969   5.178
    9   1HE   MET   1           HE3      MET   1 -15.362  -1.122   7.725
   10   2HE   MET   1           HE2      MET   1 -14.630  -2.360   8.747
   11   3HE   MET   1           HE1      MET   1 -13.640  -1.050   8.101
   12    H    THR   2           HN       THR   2 -11.858  -1.103   5.135
   13    HA   THR   2           HA       THR   2  -9.382   0.300   4.407
   14    HB   THR   2           HB       THR   2  -9.788  -1.508   6.812
   15    HG1  THR   2           HG1      THR   2 -10.432   1.225   6.326
   16   1HG2  THR   2          HG22      THR   2  -7.545  -0.169   6.002
   17   2HG2  THR   2          HG21      THR   2  -8.372   1.107   6.889
   18   3HG2  THR   2          HG23      THR   2  -7.958  -0.401   7.697
   19    OH   TYR   3           OH       TYR   3 -11.459  -0.222  -1.154
   20    H    TYR   3           HN       TYR   3  -7.815  -0.618   3.233
   21    HA   TYR   3           HA       TYR   3  -7.789  -3.587   2.965
   22   1HB   TYR   3           HB2      TYR   3  -6.066  -1.682   1.383
   23   2HB   TYR   3           HB1      TYR   3  -6.593  -3.305   0.947
   24    HD1  TYR   3           HD1      TYR   3  -7.875   0.139   1.590
   25    HD2  TYR   3           HD2      TYR   3  -8.609  -3.624  -0.255
   26    HE1  TYR   3           HE1      TYR   3  -9.846   1.072   0.470
   27    HE2  TYR   3           HE2      TYR   3 -10.581  -2.690  -1.373
   28    HH   TYR   3           HH       TYR   3 -12.239  -0.581  -0.723
   29    H    LYS   4           HN       LYS   4  -5.458  -4.476   2.689
   30    HA   LYS   4           HA       LYS   4  -3.787  -3.363   4.923
   31   1HB   LYS   4           HB2      LYS   4  -4.983  -5.758   4.954
   32   2HB   LYS   4           HB1      LYS   4  -3.537  -6.200   4.060
   33   1HG   LYS   4           HG2      LYS   4  -2.293  -4.859   5.960
   34   2HG   LYS   4           HG1      LYS   4  -3.771  -5.154   6.868
   35   1HD   LYS   4           HD2      LYS   4  -3.342  -7.644   5.865
   36   2HD   LYS   4           HD1      LYS   4  -1.680  -7.076   5.984
   37   1HE   LYS   4           HE2      LYS   4  -2.100  -6.437   8.357
   38   2HE   LYS   4           HE1      LYS   4  -3.731  -7.081   8.222
   39   1HZ   LYS   4           HZ1      LYS   4  -1.947  -9.026   7.309
   40   2HZ   LYS   4           HZ3      LYS   4  -1.370  -8.453   8.800
   41   3HZ   LYS   4           HZ2      LYS   4  -2.946  -9.073   8.681
   42    H    LEU   5           HN       LEU   5  -1.922  -2.516   4.212
   43    HA   LEU   5           HA       LEU   5  -0.933  -3.243   1.534
   44   1HB   LEU   5           HB2      LEU   5  -0.902  -0.885   2.015
   45   2HB   LEU   5           HB1      LEU   5  -0.133  -1.138   3.573
   46    HG   LEU   5           HG       LEU   5   1.942  -1.961   2.324
   47   1HD1  LEU   5          HD11      LEU   5   0.777  -2.528   0.178
   48   2HD1  LEU   5          HD13      LEU   5   0.466  -0.814  -0.067
   49   3HD1  LEU   5          HD12      LEU   5   2.116  -1.417  -0.062
   50   1HD2  LEU   5          HD22      LEU   5   1.591   0.396   3.169
   51   2HD2  LEU   5          HD21      LEU   5   2.713   0.254   1.819
   52   3HD2  LEU   5          HD23      LEU   5   1.071   0.822   1.542
   53    H    ILE   6           HN       ILE   6   1.183  -4.005   1.153
   54    HA   ILE   6           HA       ILE   6   2.616  -5.153   3.470
   55    HB   ILE   6           HB       ILE   6   2.272  -6.531   0.796
   56   1HG1  ILE   6          HG12      ILE   6   0.844  -6.858   3.451
   57   2HG1  ILE   6          HG11      ILE   6   0.124  -6.569   1.872
   58   1HG2  ILE   6          HG22      ILE   6   4.357  -6.972   2.261
   59   2HG2  ILE   6          HG21      ILE   6   3.247  -7.697   3.416
   60   3HG2  ILE   6          HG23      ILE   6   3.409  -8.378   1.801
   61   1HD1  ILE   6           HD2      ILE   6   1.195  -8.813   1.166
   62   2HD1  ILE   6           HD1      ILE   6   1.444  -9.097   2.886
   63   3HD1  ILE   6           HD3      ILE   6  -0.184  -8.900   2.255
   64    H    LEU   7           HN       LEU   7   4.346  -3.837   3.544
   65    HA   LEU   7           HA       LEU   7   5.556  -2.757   1.123
   66   1HB   LEU   7           HB2      LEU   7   6.174  -2.572   4.053
   67   2HB   LEU   7           HB1      LEU   7   7.302  -1.949   2.855
   68    HG   LEU   7           HG       LEU   7   4.457  -1.180   2.472
   69   1HD1  LEU   7          HD11      LEU   7   6.160  -0.131   4.759
   70   2HD1  LEU   7          HD13      LEU   7   4.685   0.641   4.186
   71   3HD1  LEU   7          HD12      LEU   7   4.616  -0.965   4.902
   72   1HD2  LEU   7          HD22      LEU   7   6.435  -0.409   1.087
   73   2HD2  LEU   7          HD21      LEU   7   5.482   0.900   1.778
   74   3HD2  LEU   7          HD23      LEU   7   7.017   0.448   2.511
   75    H    ASN   8           HN       ASN   8   6.871  -3.893  -0.139
   76    HA   ASN   8           HA       ASN   8   8.528  -6.037   1.111
   77   1HB   ASN   8           HB2      ASN   8   7.041  -5.786  -1.370
   78   2HB   ASN   8           HB1      ASN   8   8.709  -6.213  -1.690
   79   1HD2  ASN   8          HD22      ASN   8   6.306  -9.084  -0.611
   80   2HD2  ASN   8          HD21      ASN   8   5.881  -7.659  -1.418
   81    H    GLY   9           HN       GLY   9   9.299  -3.366   1.472
   82   1HA   GLY   9           HA2      GLY   9  11.071  -2.272  -0.419
   83   2HA   GLY   9           HA1      GLY   9  11.257  -2.072   1.319
   84    H    LYS  10           HN       LYS  10  13.158  -2.633  -0.980
   85    HA   LYS  10           HA       LYS  10  14.236  -5.273  -0.616
   86   1HB   LYS  10           HB2      LYS  10  14.688  -3.718  -2.567
   87   2HB   LYS  10           HB1      LYS  10  15.752  -2.808  -1.500
   88   1HG   LYS  10           HG2      LYS  10  17.058  -4.894  -1.074
   89   2HG   LYS  10           HG1      LYS  10  16.027  -5.746  -2.218
   90   1HD   LYS  10           HD2      LYS  10  16.683  -4.002  -3.948
   91   2HD   LYS  10           HD1      LYS  10  17.876  -3.412  -2.796
   92   1HE   LYS  10           HE2      LYS  10  17.720  -6.272  -3.805
   93   2HE   LYS  10           HE1      LYS  10  18.837  -5.058  -4.415
   94   1HZ   LYS  10           HZ3      LYS  10  19.290  -4.905  -1.792
   95   2HZ   LYS  10           HZ2      LYS  10  18.899  -6.551  -1.941
   96   3HZ   LYS  10           HZ1      LYS  10  20.173  -5.896  -2.852
   97    H    THR  11           HN       THR  11  14.449  -2.349   1.160
   98    HA   THR  11           HA       THR  11  16.443  -3.607   2.988
   99    HB   THR  11           HB       THR  11  16.964  -1.006   3.407
  100    HG1  THR  11           HG1      THR  11  15.373  -0.338   1.956
  101   1HG2  THR  11          HG22      THR  11  17.945  -2.866   1.257
  102   2HG2  THR  11          HG21      THR  11  18.470  -1.186   1.217
  103   3HG2  THR  11          HG23      THR  11  18.840  -2.191   2.615
  104    H    LEU  12           HN       LEU  12  13.319  -2.678   2.650
  105    HA   LEU  12           HA       LEU  12  12.989  -2.497   5.578
  106   1HB   LEU  12           HB2      LEU  12  13.386  -0.136   4.615
  107   2HB   LEU  12           HB1      LEU  12  11.784  -0.301   3.905
  108    HG   LEU  12           HG       LEU  12  11.165  -1.069   6.393
  109   1HD1  LEU  12          HD11      LEU  12  13.566  -0.848   7.126
  110   2HD1  LEU  12          HD13      LEU  12  13.461   0.878   6.798
  111   3HD1  LEU  12          HD12      LEU  12  12.461   0.159   8.056
  112   1HD2  LEU  12          HD21      LEU  12  11.572   1.799   5.475
  113   2HD2  LEU  12          HD23      LEU  12  10.132   0.819   5.220
  114   3HD2  LEU  12          HD22      LEU  12  10.575   1.324   6.847
  115    H    LYS  13           HN       LYS  13  11.648  -4.219   5.695
  116    HA   LYS  13           HA       LYS  13   9.305  -4.326   3.863
  117   1HB   LYS  13           HB2      LYS  13  10.521  -6.373   5.725
  118   2HB   LYS  13           HB1      LYS  13   9.015  -6.636   4.855
  119   1HG   LYS  13           HG2      LYS  13  10.071  -6.685   2.773
  120   2HG   LYS  13           HG1      LYS  13  11.434  -5.721   3.328
  121   1HD   LYS  13           HD2      LYS  13  12.354  -7.571   4.557
  122   2HD   LYS  13           HD1      LYS  13  10.886  -8.520   4.352
  123   1HE   LYS  13           HE2      LYS  13  11.275  -8.488   1.872
  124   2HE   LYS  13           HE1      LYS  13  12.806  -7.671   2.159
  125   1HZ   LYS  13           HZ2      LYS  13  13.453  -9.577   3.563
  126   2HZ   LYS  13           HZ1      LYS  13  12.028 -10.373   3.094
  127   3HZ   LYS  13           HZ3      LYS  13  13.207  -9.989   1.934
  128    H    GLY  14           HN       GLY  14   7.287  -3.900   4.581
  129   1HA   GLY  14           HA2      GLY  14   6.699  -4.049   7.471
  130   2HA   GLY  14           HA1      GLY  14   6.571  -2.452   6.744
  131    H    GLU  15           HN       GLU  15   4.311  -2.680   7.485
  132    HA   GLU  15           HA       GLU  15   2.543  -3.314   5.324
  133   1HB   GLU  15           HB2      GLU  15   1.346  -5.222   6.318
  134   2HB   GLU  15           HB1      GLU  15   3.028  -5.642   6.026
  135   1HG   GLU  15           HG2      GLU  15   3.257  -4.647   8.533
  136   2HG   GLU  15           HG1      GLU  15   1.600  -5.240   8.608
  137    H    THR  16           HN       THR  16   0.761  -2.081   5.608
  138    HA   THR  16           HA       THR  16  -0.225  -1.550   8.348
  139    HB   THR  16           HB       THR  16   1.361   0.295   8.098
  140    HG1  THR  16           HG1      THR  16  -1.316   0.993   7.409
  141   1HG2  THR  16          HG21      THR  16   0.793   0.076   5.351
  142   2HG2  THR  16          HG23      THR  16   0.021   1.582   5.837
  143   3HG2  THR  16          HG22      THR  16   1.746   1.351   6.104
  144    H    THR  17           HN       THR  17  -2.355  -0.646   8.385
  145    HA   THR  17           HA       THR  17  -3.849  -1.158   5.848
  146    HB   THR  17           HB       THR  17  -5.707  -1.821   7.183
  147    HG1  THR  17           HG1      THR  17  -4.463  -0.737   9.465
  148   1HG2  THR  17          HG21      THR  17  -3.310  -3.040   7.758
  149   2HG2  THR  17          HG23      THR  17  -3.764  -2.432   9.346
  150   3HG2  THR  17          HG22      THR  17  -4.840  -3.526   8.482
  151    H    THR  18           HN       THR  18  -5.132   0.404   4.960
  152    HA   THR  18           HA       THR  18  -5.314   3.022   6.411
  153    HB   THR  18           HB       THR  18  -3.657   2.877   4.357
  154    HG1  THR  18           HG1      THR  18  -4.211   4.818   5.249
  155   1HG2  THR  18          HG22      THR  18  -5.663   1.866   2.942
  156   2HG2  THR  18          HG21      THR  18  -6.208   3.539   2.887
  157   3HG2  THR  18          HG23      THR  18  -4.640   3.100   2.216
  158    H    GLU  19           HN       GLU  19  -7.257   4.100   6.257
  159    HA   GLU  19           HA       GLU  19  -9.538   2.475   5.359
  160   1HB   GLU  19           HB2      GLU  19  -9.414   5.207   6.663
  161   2HB   GLU  19           HB1      GLU  19 -10.896   4.312   6.347
  162   1HG   GLU  19           HG2      GLU  19 -10.154   2.486   7.793
  163   2HG   GLU  19           HG1      GLU  19  -8.593   3.267   8.030
  164    H    ALA  20           HN       ALA  20 -10.256   2.564   3.338
  165    HA   ALA  20           HA       ALA  20 -10.318   5.197   1.948
  166   1HB   ALA  20           HB1      ALA  20  -8.643   2.922   1.256
  167   2HB   ALA  20           HB3      ALA  20  -9.721   3.355  -0.067
  168   3HB   ALA  20           HB2      ALA  20  -8.623   4.557   0.604
  169    H    VAL  21           HN       VAL  21 -12.064   5.463   0.588
  170    HA   VAL  21           HA       VAL  21 -14.255   3.551   0.939
  171    HB   VAL  21           HB       VAL  21 -14.988   5.785   0.974
  172   1HG1  VAL  21          HG11      VAL  21 -13.107   6.137  -1.371
  173   2HG1  VAL  21          HG13      VAL  21 -14.327   7.343  -0.972
  174   3HG1  VAL  21          HG12      VAL  21 -13.061   6.953   0.188
  175   1HG2  VAL  21          HG22      VAL  21 -16.149   4.178  -0.737
  176   2HG2  VAL  21          HG21      VAL  21 -16.530   5.895  -0.805
  177   3HG2  VAL  21          HG23      VAL  21 -15.394   5.200  -1.957
  178    H    ASP  22           HN       ASP  22 -11.953   4.397  -1.533
  179    HA   ASP  22           HA       ASP  22 -13.000   2.154  -3.190
  180   1HB   ASP  22           HB2      ASP  22 -12.808   3.481  -5.233
  181   2HB   ASP  22           HB1      ASP  22 -13.896   4.289  -4.108
  182    H    ALA  23           HN       ALA  23 -11.351   1.859  -5.120
  183    HA   ALA  23           HA       ALA  23  -8.799   1.273  -3.849
  184   1HB   ALA  23           HB1      ALA  23 -10.001   0.810  -6.552
  185   2HB   ALA  23           HB3      ALA  23  -8.260   0.640  -6.353
  186   3HB   ALA  23           HB2      ALA  23  -9.356  -0.360  -5.405
  187    H    ALA  24           HN       ALA  24 -10.032   3.747  -5.977
  188    HA   ALA  24           HA       ALA  24  -7.587   4.747  -7.015
  189   1HB   ALA  24           HB1      ALA  24 -10.276   5.500  -7.101
  190   2HB   ALA  24           HB3      ALA  24  -9.459   6.872  -6.357
  191   3HB   ALA  24           HB2      ALA  24  -8.944   6.292  -7.938
  192    H    THR  25           HN       THR  25  -9.415   6.024  -4.235
  193    HA   THR  25           HA       THR  25  -7.334   7.752  -3.336
  194    HB   THR  25           HB       THR  25  -9.549   8.131  -2.435
  195    HG1  THR  25           HG1      THR  25  -8.656   8.492  -0.548
  196   1HG2  THR  25          HG23      THR  25  -9.496   5.219  -2.124
  197   2HG2  THR  25          HG22      THR  25  -9.969   6.024  -0.633
  198   3HG2  THR  25          HG21      THR  25 -10.884   6.299  -2.110
  199    H    ALA  26           HN       ALA  26  -7.940   4.345  -2.806
  200    HA   ALA  26           HA       ALA  26  -6.095   4.026  -0.612
  201   1HB   ALA  26           HB3      ALA  26  -7.895   2.388  -1.249
  202   2HB   ALA  26           HB2      ALA  26  -6.909   1.934  -2.634
  203   3HB   ALA  26           HB1      ALA  26  -6.313   1.655  -1.000
  204    H    GLU  27           HN       GLU  27  -5.764   3.927  -4.105
  205    HA   GLU  27           HA       GLU  27  -3.141   2.808  -4.224
  206   1HB   GLU  27           HB2      GLU  27  -4.783   4.533  -6.055
  207   2HB   GLU  27           HB1      GLU  27  -3.101   4.207  -6.441
  208   1HG   GLU  27           HG2      GLU  27  -3.576   1.749  -6.243
  209   2HG   GLU  27           HG1      GLU  27  -5.275   2.138  -5.993
  210    H    LYS  28           HN       LYS  28  -4.208   6.206  -4.225
  211    HA   LYS  28           HA       LYS  28  -1.446   7.160  -4.110
  212   1HB   LYS  28           HB2      LYS  28  -2.331   9.318  -4.322
  213   2HB   LYS  28           HB1      LYS  28  -3.504   8.328  -5.182
  214   1HG   LYS  28           HG2      LYS  28  -4.737   8.161  -2.904
  215   2HG   LYS  28           HG1      LYS  28  -3.730   9.520  -2.413
  216   1HD   LYS  28           HD2      LYS  28  -4.598  10.375  -4.864
  217   2HD   LYS  28           HD1      LYS  28  -5.990   9.444  -4.322
  218   1HE   LYS  28           HE2      LYS  28  -5.873  10.704  -2.131
  219   2HE   LYS  28           HE1      LYS  28  -4.638  11.728  -2.853
  220   1HZ   LYS  28           HZ1      LYS  28  -6.410  12.005  -4.707
  221   2HZ   LYS  28           HZ3      LYS  28  -7.495  11.536  -3.487
  222   3HZ   LYS  28           HZ2      LYS  28  -6.524  12.914  -3.277
  223    H    VAL  29           HN       VAL  29  -4.061   6.651  -1.814
  224    HA   VAL  29           HA       VAL  29  -3.004   8.157   0.357
  225    HB   VAL  29           HB       VAL  29  -4.728   5.695   0.232
  226   1HG1  VAL  29          HG11      VAL  29  -3.479   7.047   2.610
  227   2HG1  VAL  29          HG13      VAL  29  -5.084   6.337   2.757
  228   3HG1  VAL  29          HG12      VAL  29  -3.711   5.327   2.314
  229   1HG2  VAL  29          HG23      VAL  29  -5.366   8.236  -0.288
  230   2HG2  VAL  29          HG22      VAL  29  -6.482   7.179   0.572
  231   3HG2  VAL  29          HG21      VAL  29  -5.478   8.315   1.467
  232    H    PHE  30           HN       PHE  30  -2.681   4.645  -0.215
  233    HA   PHE  30           HA       PHE  30  -0.766   4.193   1.824
  234   1HB   PHE  30           HB2      PHE  30  -1.485   2.790  -0.723
  235   2HB   PHE  30           HB1      PHE  30   0.000   2.316   0.093
  236    HD1  PHE  30           HD1      PHE  30  -0.371   2.150   2.822
  237    HD2  PHE  30           HD2      PHE  30  -3.363   1.519  -0.150
  238    HE1  PHE  30           HE1      PHE  30  -1.687   0.827   4.417
  239    HE2  PHE  30           HE2      PHE  30  -4.654   0.177   1.448
  240    HZ   PHE  30           HZ       PHE  30  -3.814  -0.186   3.724
  241    H    LYS  31           HN       LYS  31  -0.300   5.002  -1.599
  242    HA   LYS  31           HA       LYS  31   2.507   4.964  -1.694
  243   1HB   LYS  31           HB2      LYS  31   0.900   5.424  -3.610
  244   2HB   LYS  31           HB1      LYS  31   0.810   7.082  -3.024
  245   1HG   LYS  31           HG2      LYS  31   3.527   6.654  -3.058
  246   2HG   LYS  31           HG1      LYS  31   3.002   5.710  -4.448
  247   1HD   LYS  31           HD2      LYS  31   1.657   7.754  -5.174
  248   2HD   LYS  31           HD1      LYS  31   2.507   8.653  -3.922
  249   1HE   LYS  31           HE2      LYS  31   3.683   7.283  -6.351
  250   2HE   LYS  31           HE1      LYS  31   3.779   8.986  -5.919
  251   1HZ   LYS  31           HZ3      LYS  31   4.962   6.824  -4.277
  252   2HZ   LYS  31           HZ2      LYS  31   5.822   7.662  -5.478
  253   3HZ   LYS  31           HZ1      LYS  31   5.216   8.497  -4.129
  254    H    GLN  32           HN       GLN  32   0.346   7.325  -0.300
  255    HA   GLN  32           HA       GLN  32   2.320   9.380   0.123
  256   1HB   GLN  32           HB2      GLN  32  -0.232   9.605   0.242
  257   2HB   GLN  32           HB1      GLN  32  -0.112   8.905   1.852
  258   1HG   GLN  32           HG2      GLN  32   1.651  10.725   2.330
  259   2HG   GLN  32           HG1      GLN  32   1.082  11.500   0.853
  260   1HE2  GLN  32          HE22      GLN  32  -1.349  11.406   4.155
  261   2HE2  GLN  32          HE21      GLN  32  -0.008  10.370   4.066
  262    OH   TYR  33           OH       TYR  33   4.680   2.695   8.289
  263    H    TYR  33           HN       TYR  33   1.338   6.525   1.873
  264    HA   TYR  33           HA       TYR  33   2.784   7.168   4.306
  265   1HB   TYR  33           HB2      TYR  33   0.933   5.572   4.372
  266   2HB   TYR  33           HB1      TYR  33   1.762   4.529   3.222
  267    HD1  TYR  33           HD1      TYR  33   3.940   3.452   3.888
  268    HD2  TYR  33           HD2      TYR  33   1.509   5.513   6.704
  269    HE1  TYR  33           HE1      TYR  33   5.139   2.358   5.722
  270    HE2  TYR  33           HE2      TYR  33   2.708   4.416   8.541
  271    HH   TYR  33           HH       TYR  33   4.488   3.175   9.097
  272    H    ALA  34           HN       ALA  34   3.372   4.818   1.712
  273    HA   ALA  34           HA       ALA  34   5.919   3.944   2.447
  274   1HB   ALA  34           HB1      ALA  34   4.597   4.368  -0.214
  275   2HB   ALA  34           HB3      ALA  34   6.283   3.869  -0.150
  276   3HB   ALA  34           HB2      ALA  34   5.040   2.859   0.577
  277    H    ASN  35           HN       ASN  35   5.017   6.910   0.768
  278    HA   ASN  35           HA       ASN  35   7.531   7.862  -0.016
  279   1HB   ASN  35           HB2      ASN  35   5.502   9.079  -0.567
  280   2HB   ASN  35           HB1      ASN  35   5.196   9.409   1.136
  281   1HD2  ASN  35          HD22      ASN  35   7.034  12.386   0.944
  282   2HD2  ASN  35          HD21      ASN  35   5.684  11.555   1.548
  283    H    ASP  36           HN       ASP  36   6.032   7.942   3.175
  284    HA   ASP  36           HA       ASP  36   8.161   9.492   4.394
  285   1HB   ASP  36           HB2      ASP  36   5.745   8.039   5.320
  286   2HB   ASP  36           HB1      ASP  36   7.032   8.237   6.506
  287    H    ASN  37           HN       ASN  37   8.616   6.803   2.911
  288    HA   ASN  37           HA       ASN  37  10.559   5.765   4.919
  289   1HB   ASN  37           HB2      ASN  37   8.501   4.165   3.394
  290   2HB   ASN  37           HB1      ASN  37   9.957   3.422   4.052
  291   1HD2  ASN  37          HD22      ASN  37   6.876   4.300   6.508
  292   2HD2  ASN  37          HD21      ASN  37   6.780   4.515   4.827
  293    H    GLY  38           HN       GLY  38   9.541   6.070   1.580
  294   1HA   GLY  38           HA2      GLY  38  11.153   6.615  -0.167
  295   2HA   GLY  38           HA1      GLY  38  12.390   5.769   0.757
  296    H    VAL  39           HN       VAL  39   9.206   4.433   0.320
  297    HA   VAL  39           HA       VAL  39  10.400   2.269  -1.361
  298    HB   VAL  39           HB       VAL  39   7.928   2.283   0.390
  299   1HG1  VAL  39          HG12      VAL  39   8.956   0.415  -1.688
  300   2HG1  VAL  39          HG11      VAL  39   8.404  -0.323  -0.188
  301   3HG1  VAL  39          HG13      VAL  39   7.305   0.675  -1.134
  302   1HG2  VAL  39          HG22      VAL  39  10.102   2.230   1.599
  303   2HG2  VAL  39          HG21      VAL  39   9.238   0.704   1.758
  304   3HG2  VAL  39          HG23      VAL  39  10.590   0.838   0.638
  305    H    ASP  40           HN       ASP  40  10.156   3.430  -3.348
  306    HA   ASP  40           HA       ASP  40   7.335   3.439  -4.334
  307   1HB   ASP  40           HB2      ASP  40   9.383   5.639  -4.678
  308   2HB   ASP  40           HB1      ASP  40   7.898   5.536  -5.621
  309    H    GLY  41           HN       GLY  41   7.162   2.181  -6.057
  310   1HA   GLY  41           HA2      GLY  41   8.942   2.324  -8.314
  311   2HA   GLY  41           HA1      GLY  41   9.281   0.875  -7.369
  312    H    GLU  42           HN       GLU  42   7.717  -0.758  -7.245
  313    HA   GLU  42           HA       GLU  42   5.611  -0.601  -9.363
  314   1HB   GLU  42           HB2      GLU  42   6.867  -2.998  -8.023
  315   2HB   GLU  42           HB1      GLU  42   5.661  -3.067  -9.300
  316   1HG   GLU  42           HG2      GLU  42   8.292  -1.601  -9.635
  317   2HG   GLU  42           HG1      GLU  42   8.100  -3.300 -10.058
  318    CH2  TRP  43           CH2      TRP  43   2.117   2.383  -2.133
  319    H    TRP  43           HN       TRP  43   3.493  -0.939  -8.839
  320    HA   TRP  43           HA       TRP  43   2.884  -1.462  -5.950
  321   1HB   TRP  43           HB2      TRP  43   1.776   0.569  -7.862
  322   2HB   TRP  43           HB1      TRP  43   0.825   0.030  -6.487
  323    HD1  TRP  43           HD1      TRP  43   4.347   1.429  -7.252
  324    HE1  TRP  43           HE1      TRP  43   5.025   2.800  -5.224
  325    HE3  TRP  43           HE3      TRP  43   0.445   0.464  -4.321
  326    HZ2  TRP  43           HZ2      TRP  43   3.987   3.343  -2.501
  327    HZ3  TRP  43           HZ3      TRP  43   0.273   1.318  -2.038
  328    HH2  TRP  43           HH2      TRP  43   2.040   2.753  -1.121
  329    H    THR  44           HN       THR  44   1.370  -2.951  -5.513
  330    HA   THR  44           HA       THR  44  -0.200  -4.063  -7.813
  331    HB   THR  44           HB       THR  44   0.055  -6.319  -6.557
  332    HG1  THR  44           HG1      THR  44   0.795  -5.118  -4.663
  333   1HG2  THR  44          HG21      THR  44   2.067  -4.845  -8.141
  334   2HG2  THR  44          HG23      THR  44   2.768  -6.078  -7.098
  335   3HG2  THR  44          HG22      THR  44   1.553  -6.523  -8.293
  336    OH   TYR  45           OH       TYR  45  -8.850  -1.867  -3.081
  337    H    TYR  45           HN       TYR  45  -2.219  -4.982  -7.298
  338    HA   TYR  45           HA       TYR  45  -3.366  -4.180  -4.645
  339   1HB   TYR  45           HB2      TYR  45  -3.979  -2.738  -6.714
  340   2HB   TYR  45           HB1      TYR  45  -4.913  -4.135  -7.251
  341    HD1  TYR  45           HD1      TYR  45  -6.364  -5.134  -4.941
  342    HD2  TYR  45           HD2      TYR  45  -5.352  -1.107  -5.830
  343    HE1  TYR  45           HE1      TYR  45  -8.170  -4.365  -3.495
  344    HE2  TYR  45           HE2      TYR  45  -7.203  -0.341  -4.434
  345    HH   TYR  45           HH       TYR  45  -9.628  -1.779  -3.637
  346    H    ASP  46           HN       ASP  46  -4.277  -5.850  -3.602
  347    HA   ASP  46           HA       ASP  46  -4.809  -8.360  -5.132
  348   1HB   ASP  46           HB2      ASP  46  -3.245  -8.221  -3.044
  349   2HB   ASP  46           HB1      ASP  46  -4.749  -8.177  -2.133
  350    H    ASP  47           HN       ASP  47  -6.830  -7.188  -5.854
  351    HA   ASP  47           HA       ASP  47  -8.923  -6.598  -3.978
  352   1HB   ASP  47           HB2      ASP  47  -8.774  -5.829  -6.400
  353   2HB   ASP  47           HB1      ASP  47  -9.322  -7.441  -6.853
  354    H    ALA  48           HN       ALA  48  -7.502  -9.453  -4.438
  355    HA   ALA  48           HA       ALA  48  -9.922 -11.128  -4.550
  356   1HB   ALA  48           HB3      ALA  48  -7.348 -11.552  -5.357
  357   2HB   ALA  48           HB2      ALA  48  -7.357 -12.382  -3.804
  358   3HB   ALA  48           HB1      ALA  48  -8.510 -12.840  -5.054
  359    H    THR  49           HN       THR  49  -7.997  -9.597  -2.173
  360    HA   THR  49           HA       THR  49  -9.602 -10.889  -0.056
  361    HB   THR  49           HB       THR  49  -7.495 -11.429   1.278
  362    HG1  THR  49           HG1      THR  49  -5.806 -11.605  -0.659
  363   1HG2  THR  49          HG21      THR  49  -8.700 -13.132  -0.298
  364   2HG2  THR  49          HG23      THR  49  -7.398 -12.780  -1.431
  365   3HG2  THR  49          HG22      THR  49  -7.031 -13.481   0.142
  366    H    LYS  50           HN       LYS  50  -8.796  -8.157  -1.341
  367    HA   LYS  50           HA       LYS  50  -8.626  -5.946  -0.566
  368   1HB   LYS  50           HB2      LYS  50  -9.394  -7.026   2.148
  369   2HB   LYS  50           HB1      LYS  50  -9.725  -5.432   1.478
  370   1HG   LYS  50           HG2      LYS  50 -11.150  -6.523  -0.280
  371   2HG   LYS  50           HG1      LYS  50 -10.898  -8.068   0.524
  372   1HD   LYS  50           HD2      LYS  50 -11.684  -6.531   2.637
  373   2HD   LYS  50           HD1      LYS  50 -12.592  -5.773   1.333
  374   1HE   LYS  50           HE2      LYS  50 -12.693  -8.643   2.269
  375   2HE   LYS  50           HE1      LYS  50 -14.023  -7.506   2.087
  376   1HZ   LYS  50           HZ1      LYS  50 -12.872  -7.705  -0.402
  377   2HZ   LYS  50           HZ3      LYS  50 -12.925  -9.297   0.187
  378   3HZ   LYS  50           HZ2      LYS  50 -14.350  -8.376   0.100
  379    H    THR  51           HN       THR  51  -6.250  -6.736  -0.864
  380    HA   THR  51           HA       THR  51  -4.786  -5.863   1.572
  381    HB   THR  51           HB       THR  51  -4.259  -8.501   0.119
  382    HG1  THR  51           HG1      THR  51  -5.161  -7.628   2.662
  383   1HG2  THR  51          HG21      THR  51  -2.314  -6.914   1.349
  384   2HG2  THR  51          HG23      THR  51  -2.877  -7.946   2.654
  385   3HG2  THR  51          HG22      THR  51  -2.236  -8.659   1.181
  386    H    PHE  52           HN       PHE  52  -3.585  -4.175   0.842
  387    HA   PHE  52           HA       PHE  52  -2.860  -3.958  -1.979
  388   1HB   PHE  52           HB2      PHE  52  -2.939  -2.220   0.336
  389   2HB   PHE  52           HB1      PHE  52  -1.435  -2.036  -0.554
  390    HD1  PHE  52           HD1      PHE  52  -1.479  -1.350  -2.966
  391    HD2  PHE  52           HD2      PHE  52  -5.040  -1.629  -0.684
  392    HE1  PHE  52           HE1      PHE  52  -2.705  -0.077  -4.688
  393    HE2  PHE  52           HE2      PHE  52  -6.222  -0.273  -2.320
  394    HZ   PHE  52           HZ       PHE  52  -5.043   0.554  -4.299
  395    H    THR  53           HN       THR  53  -0.555  -3.591  -2.621
  396    HA   THR  53           HA       THR  53   1.518  -4.548  -0.795
  397    HB   THR  53           HB       THR  53   0.762  -6.222  -3.219
  398    HG1  THR  53           HG1      THR  53  -0.557  -6.610  -1.472
  399   1HG2  THR  53          HG22      THR  53   3.200  -6.019  -1.564
  400   2HG2  THR  53          HG21      THR  53   2.497  -7.634  -1.568
  401   3HG2  THR  53          HG23      THR  53   2.967  -6.874  -3.085
  402    H    VAL  54           HN       VAL  54   3.458  -3.707  -1.339
  403    HA   VAL  54           HA       VAL  54   3.836  -2.714  -4.133
  404    HB   VAL  54           HB       VAL  54   3.102  -0.845  -2.590
  405   1HG1  VAL  54          HG12      VAL  54   4.343  -1.876  -0.620
  406   2HG1  VAL  54          HG11      VAL  54   5.821  -1.229  -1.322
  407   3HG1  VAL  54          HG13      VAL  54   4.533  -0.141  -0.815
  408   1HG2  VAL  54          HG23      VAL  54   5.868  -0.793  -3.820
  409   2HG2  VAL  54          HG22      VAL  54   4.371  -0.198  -4.515
  410   3HG2  VAL  54          HG21      VAL  54   5.103   0.642  -3.157
  411    H    THR  55           HN       THR  55   6.029  -2.649  -4.777
  412    HA   THR  55           HA       THR  55   8.016  -3.769  -2.863
  413    HB   THR  55           HB       THR  55   7.574  -4.938  -5.644
  414    HG1  THR  55           HG1      THR  55   6.008  -5.863  -4.545
  415   1HG2  THR  55          HG23      THR  55   9.649  -5.226  -3.576
  416   2HG2  THR  55          HG22      THR  55   8.847  -6.752  -3.941
  417   3HG2  THR  55          HG21      THR  55   9.636  -5.843  -5.221
  418    H    GLU  56           HN       GLU  56   9.706  -2.429  -2.897
  419    HA   GLU  56           HA       GLU  56  10.128  -0.427  -4.886
  420   1HB   GLU  56           HB2      GLU  56  11.198  -0.993  -2.403
  421   2HB   GLU  56           HB1      GLU  56  12.557  -1.284  -3.483
  422   1HG   GLU  56           HG2      GLU  56  10.864   1.238  -3.405
  423   2HG   GLU  56           HG1      GLU  56  12.511   1.085  -2.801
   
   
  No H/Q in entry =         423