*HEADER   GLYCOLYSIS                              20-FEB-92   1BAL    
*COMPND   DIHYDROLIPOAMIDE SUCCINYLTRANSFERASE (E3-BINDING DOMAIN)    
*COMPND  2 (E.C.2.3.1.61) CORE FROM THE 2-OXOGLUTARATE DEHYDROGENASE  
*COMPND  3 MULTIENZYME COMPLEX OF (ESCHERICHIA COLI) (NMR,            
*COMPND  4 56 SIMULATED ANNEALING STRUCTURES)                         
*SOURCE   SYNTHETIC PEPTIDE BASED ON THE SEQUENCE OF THE              
*SOURCE  2 (ESCHERICHIA COLI) MULTIENZYME                             
*EXPDTA   NMR                                                         
*AUTHOR   G.M.CLORE,M.A.ROBIEN,A.M.GRONENBORN                         
*REVDAT  1   31-JAN-94 1BAL    0                                      

REMARK Experimental restraints used in the 3D NMR solution structure 
REMARK determination of the E3-binding domain
REMARK of the dihydrolipoamide succinyltransferase core from the
REMARK 2-oxoglutarate dehydrogenase multienzyme complex of E. coli
REMARK
REMARK Authors: G.M. Clore, Mark A. Robien and A.M. Gronenborn
REMARK
REMARK References
REMARK
REMARK 1.  Robien, M.A., Clore, G.M., Omichinski, J.G., Perham, R.N.
REMARK     Appella, E., Sakaguchi, K. and Gronenborn, A.M. (1992)
REMARK     Three-dimensional solution structure of the E3-binding domain
REMARK     of the dihydrolipoamide succinyltransferase core from the
REMARK     2-oxoglutarate dehydrogenase multienzyme complex of E. coli
REMARK     Biochemistry 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 630 interproton distance restraints
REMARK    derived from NOE measurements; and 46 phi and 35 psi backbone 
REMARK    torsion angle restraints and 20 chi1 side chain torsion angle 
REMARK    restraints derived from coupling constants and NOE data. The 
REMARK    latter are obtained using
REMARK    the conformational 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    A total of 56 structures were calculated.(The coordinates
REMARK    are given in e2o_brookhaven.pdb)
REMARK
REMARK
REMARK   NOE approximate interproton distance restraints are listed in (A)
REMARK   and torsion angle restraints in (B).
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.

(i) Intraresidue restraints

!! residue 1 TYR                                                    
assi (resi  1 and name HA   ) (resi  1 and name HB1 ) 3.0 1.2 0.3           
assi (resi  1 and name HA   ) (resi  1 and name HB2 ) 3.0 1.2 0.3           
assi (resi  1 and name HA   ) (resi  1 and name HD# ) 4.0 2.2 3.0           
assi (resi  1 and name HB1  ) (resi  1 and name HD# ) 3.0 1.2 2.3          
assi (resi  1 and name HB2  ) (resi  1 and name HD# ) 3.0 1.2 2.3          
                                                                      
!! residue 2 ALA                                                     
assi (resi  2 and name HN   ) (resi  2 and name HA  ) 4.0 2.2 1.0          
assi (resi  2 and name HN   ) (resi  2 and name HB# ) 3.0 1.2 1.8          
assi (resi  2 and name HA   ) (resi  2 and name HB# ) 3.0 1.2 1.8          
                                                                      
!! residue 3 SER                                                     
assi (resi  3 and name HN   ) (resi  3 and name HA  ) 4.0 2.2 1.0          
assi (resi  3 and name HN   ) (resi  3 and name HB# ) 3.0 1.2 1.3          
assi (resi  3 and name HA   ) (resi  3 and name HB1 ) 4.0 2.2 1.0          
assi (resi  3 and name HA   ) (resi  3 and name HB2 ) 4.0 2.2 1.0          
                                                                 
!! residue 4 LEU                                                  
assi (resi  4 and name HN   ) (resi  4 and name HA   ) 4.0 2.2 1.0          
assi (resi  4 and name HN   ) (resi  4 and name HB#  ) 3.0 1.2 1.3          
assi (resi  4 and name HN   ) (resi  4 and name HD1# ) 5.0 2.5 2.5          
assi (resi  4 and name HN   ) (resi  4 and name HD2# ) 5.0 2.5 2.5          
assi (resi  4 and name HA   ) (resi  4 and name HB#  ) 3.0 1.2 1.3          
assi (resi  4 and name HA   ) (resi  4 and name HD*  ) 3.0 1.2 2.7          
assi (resi  4 and name HB#  ) (resi  4 and name HD1# ) 3.0 1.2 2.8          
assi (resi  4 and name HB#  ) (resi  4 and name HD2# ) 3.0 1.2 2.8          
                                                                      
!! residue 5 GLU                                                             
assi (resi  5 and name HN   ) (resi  5 and name HA   ) 4.0 2.2 1.0          
assi (resi  5 and name HN   ) (resi  5 and name HB#  ) 3.0 1.2 1.3          
assi (resi  5 and name HN   ) (resi  5 and name HG#  ) 4.0 2.2 2.0          
assi (resi  5 and name HA   ) (resi  5 and name HB#  ) 3.0 1.2 1.3          
assi (resi  5 and name HA   ) (resi  5 and name HG#  ) 3.0 1.2 1.3          
                                                                      
!! residue 6 GLU                                                             
assi (resi  6 and name HN   ) (resi  6 and name HA   ) 3.0 1.2 0.3          
assi (resi  6 and name HN   ) (resi  6 and name HB#  ) 3.0 1.2 1.3          
assi (resi  6 and name HN   ) (resi  6 and name HG#  ) 4.0 2.2 2.0          
assi (resi  6 and name HA   ) (resi  6 and name HB#  ) 3.0 1.2 1.3          
assi (resi  6 and name HA   ) (resi  6 and name HG#  ) 3.0 1.2 1.3          
                                                                      
!! residue 7 GLN                                                             
assi (resi  7 and name HN   ) (resi  7 and name HA   ) 4.0 2.2 1.0          
assi (resi  7 and name HN   ) (resi  7 and name HB#  ) 3.0 1.2 1.3          
assi (resi  7 and name HN   ) (resi  7 and name HG#  ) 4.0 2.2 2.0          
assi (resi  7 and name HA   ) (resi  7 and name HB1  ) 3.0 1.2 0.3          
assi (resi  7 and name HA   ) (resi  7 and name HB2  ) 3.0 1.2 0.3          
assi (resi  7 and name HA   ) (resi  7 and name HG#  ) 4.0 2.2 2.0          
assi (resi  7 and name HG#  ) (resi  7 and name HE21 ) 4.0 2.2 1.0          
                                                                      
!! residue 8 ASN                                                          
assi (resi  8 and name HN   ) (resi  8 and name HA    ) 4.0 2.2 1.0           
assi (resi  8 and name HN   ) (resi  8 and name HB#   ) 3.0 1.2 1.3          
assi (resi  8 and name HN   ) (resi  8 and name HD2#  ) 4.0 2.2 2.0          
assi (resi  8 and name HA   ) (resi  8 and name HB1   ) 3.0 1.2 0.3          
assi (resi  8 and name HA   ) (resi  8 and name HB2   ) 3.0 1.2 0.3          
assi (resi  8 and name HB1  ) (resi  8 and name HD21  ) 4.0 2.2 1.0          
assi (resi  8 and name HB2  ) (resi  8 and name HD21  ) 4.0 2.2 1.0          
                                                                      
!! residue 9 ASN                                                          
assi (resi  9 and name HN   ) (resi  9 and name HA    ) 3.0 1.2 0.3          
assi (resi  9 and name HN   ) (resi  9 and name HB#   ) 3.0 1.2 1.3          
assi (resi  9 and name HN   ) (resi  9 and name HD2#  ) 4.0 2.2 2.0          
assi (resi  9 and name HA   ) (resi  9 and name HB1   ) 3.0 1.2 0.3          
assi (resi  9 and name HA   ) (resi  9 and name HB2   ) 3.0 1.2 0.3          
assi (resi  9 and name HB1  ) (resi  9 and name HD21  ) 4.0 2.2 1.0          
assi (resi  9 and name HB2  ) (resi  9 and name HD21  ) 4.0 2.2 1.0          
                                                                      
!! residue 10 ASP                                                            
assi (resi 10 and name HN   ) (resi 10 and name HA    ) 3.0 1.2 0.3          
assi (resi 10 and name HN   ) (resi 10 and name HB#   ) 3.0 1.2 1.3          
assi (resi 10 and name HA   ) (resi 10 and name HB#   ) 3.0 1.2 1.3          
                                                                      
!! residue 11 ALA                                                     
assi (resi 11 and name HN   ) (resi 11 and name HA    ) 3.0 1.2 0.3          
assi (resi 11 and name HN   ) (resi 11 and name HB#   ) 3.0 1.2 1.8          
assi (resi 11 and name HA   ) (resi 11 and name HB#   ) 3.0 1.2 1.8          

!! residue 12 LEU                                                  
assi (resi 12 and name HN   ) (resi 12 and name HA    ) 4.0 2.2 1.0          
assi (resi 12 and name HN   ) (resi 12 and name HB1   ) 4.0 2.2 1.0          
assi (resi 12 and name HN   ) (resi 12 and name HB2   ) 3.0 1.2 0.3          
assi (resi 12 and name HN   ) (resi 12 and name HG    ) 4.0 2.2 1.0          
assi (resi 12 and name HN   ) (resi 12 and name HD*   ) 4.0 2.2 3.4          
assi (resi 12 and name HA   ) (resi 12 and name HB1   ) 3.0 1.2 0.3          
assi (resi 12 and name HA   ) (resi 12 and name HB2   ) 3.0 1.2 0.3          
assi (resi 12 and name HA   ) (resi 12 and name HG    ) 4.0 2.2 1.0          
assi (resi 12 and name HA   ) (resi 12 and name HD*   ) 3.0 1.2 2.7          
                                                                      
!! residue 13 SER                                                     
assi (resi 13 and name HN   ) (resi 13 and name HA    ) 4.0 2.2 1.0          
assi (resi 13 and name HN   ) (resi 13 and name HB#   ) 3.0 1.2 1.3          
assi (resi 13 and name HA   ) (resi 13 and name HB1   ) 3.0 1.2 0.3          
assi (resi 13 and name HA   ) (resi 13 and name HB2   ) 3.0 1.2 0.3          
                                                                      
!! residue 14 PRO                                                         
assi (resi 14 and name HA   ) (resi 14 and name HB1   ) 3.0 1.2 0.3          
assi (resi 14 and name HA   ) (resi 14 and name HG#   ) 4.0 2.2 2.0          
assi (resi 14 and name HB1  ) (resi 14 and name HD#   ) 4.0 2.2 2.0          
                                                                         
!! residue 15 ALA                                                     
assi (resi 15 and name HN   ) (resi 15 and name HA    ) 3.0 1.2 0.3          
assi (resi 15 and name HN   ) (resi 15 and name HB#   ) 3.0 1.2 1.8          
assi (resi 15 and name HA   ) (resi 15 and name HB#   ) 3.0 1.2 1.8          
                                                                      
!! residue 16 ILEU                                               
assi (resi 16 and name HN   ) (resi 16 and name HA    ) 4.0 2.2 1.0          
assi (resi 16 and name HN   ) (resi 16 and name HB    ) 2.5 0.7 0.3          
assi (resi 16 and name HN   ) (resi 16 and name HG11  ) 4.0 2.2 1.0          
assi (resi 16 and name HN   ) (resi 16 and name HG12  ) 4.0 2.2 1.0          
assi (resi 16 and name HN   ) (resi 16 and name HG2#  ) 4.0 2.2 2.5          
assi (resi 16 and name HN   ) (resi 16 and name HD#   ) 4.0 2.2 2.5          
assi (resi 16 and name HA   ) (resi 16 and name HB    ) 3.0 1.2 0.3          
assi (resi 16 and name HA   ) (resi 16 and name HG11  ) 3.0 1.2 0.3          
assi (resi 16 and name HA   ) (resi 16 and name HG12  ) 4.0 2.2 1.0          
assi (resi 16 and name HA   ) (resi 16 and name HG2#  ) 3.0 1.2 1.8          
assi (resi 16 and name HA   ) (resi 16 and name HD#   ) 3.0 1.2 1.8          
assi (resi 16 and name HB   ) (resi 16 and name HD#   ) 3.0 1.2 1.8          
                                                                       
!! residue 17 ARG                                                               
assi (resi 17 and name HN   ) (resi 17 and name HA    ) 4.0 2.2 2.0          
assi (resi 17 and name HN   ) (resi 17 and name HB1   ) 4.0 2.2 1.0          
assi (resi 17 and name HN   ) (resi 17 and name HB2   ) 3.0 1.2 0.3          
assi (resi 17 and name HN   ) (resi 17 and name HG#   ) 4.0 2.2 2.0          
assi (resi 17 and name HA   ) (resi 17 and name HB1   ) 3.0 1.2 0.3          
assi (resi 17 and name HA   ) (resi 17 and name HB2   ) 3.0 1.2 0.3          
assi (resi 17 and name HA   ) (resi 17 and name HG#   ) 3.0 1.2 1.3          
assi (resi 17 and name HA   ) (resi 17 and name HD1   ) 5.0 2.5 1.0          
assi (resi 17 and name HA   ) (resi 17 and name HD2   ) 5.0 2.5 1.0          
assi (resi 17 and name HB1  ) (resi 17 and name HD1   ) 4.0 2.2 1.0          
assi (resi 17 and name HB2  ) (resi 17 and name HD1   ) 4.0 2.2 1.0          
assi (resi 17 and name HB1  ) (resi 17 and name HD2   ) 4.0 2.2 1.0          
assi (resi 17 and name HB2  ) (resi 17 and name HD2   ) 4.0 2.2 1.0          
assi (resi 17 and name HB2  ) (resi 17 and name HE    ) 4.0 2.2 1.0          
assi (resi 17 and name HG#  ) (resi 17 and name HE    ) 5.0 2.5 2.0          
                                                                      
!! residue 18 ARG                                                               
assi (resi 18 and name HN   ) (resi 18 and name HA    ) 3.0 1.2 0.3          
assi (resi 18 and name HN   ) (resi 18 and name HB1   ) 4.0 2.2 1.0          
assi (resi 18 and name HN   ) (resi 18 and name HB2   ) 3.0 1.2 0.3          
assi (resi 18 and name HN   ) (resi 18 and name HG#   ) 4.0 2.2 2.0          
assi (resi 18 and name HA   ) (resi 18 and name HB1   ) 3.0 1.2 0.3          
assi (resi 18 and name HA   ) (resi 18 and name HB2   ) 3.0 1.2 0.3          
assi (resi 18 and name HA   ) (resi 18 and name HD#   ) 4.0 2.2 2.0          
assi (resi 18 and name HB2  ) (resi 18 and name HD#   ) 3.0 1.2 1.3          
assi (resi 18 and name HB1  ) (resi 18 and name HD#   ) 4.0 2.2 2.0          
                                                                      
!! residue 19 LEU                                                  
assi (resi 19 and name HN   ) (resi 19 and name HA    ) 3.0 1.2 0.3          
assi (resi 19 and name HN   ) (resi 19 and name HB1   ) 3.0 1.2 0.3          
assi (resi 19 and name HN   ) (resi 19 and name HB2   ) 3.0 1.2 0.3          
assi (resi 19 and name HN   ) (resi 19 and name HD2#  ) 4.0 2.2 2.5          
assi (resi 19 and name HA   ) (resi 19 and name HB1   ) 3.0 1.2 0.3          
assi (resi 19 and name HA   ) (resi 19 and name HB2   ) 3.0 1.2 0.3          
assi (resi 19 and name HA   ) (resi 19 and name HD1#  ) 3.0 1.2 1.8          
assi (resi 19 and name HA   ) (resi 19 and name HD2#  ) 4.0 2.2 2.5          
assi (resi 19 and name HB1  ) (resi 19 and name HD1#  ) 3.0 1.2 1.8          
assi (resi 19 and name HB1  ) (resi 19 and name HD2#  ) 3.0 1.2 1.8          
assi (resi 19 and name HB2  ) (resi 19 and name HD1#  ) 3.0 1.2 1.8          
assi (resi 19 and name HB2  ) (resi 19 and name HD2#  ) 3.0 1.2 1.8          
                                                                      
!! residue 20 LEU                                                  
assi (resi 20 and name HN   ) (resi 20 and name HA    ) 4.0 2.2 1.0          
assi (resi 20 and name HN   ) (resi 20 and name HB#   ) 3.0 1.2 1.3          
assi (resi 20 and name HN   ) (resi 20 and name HG    ) 4.0 2.2 1.0          
assi (resi 20 and name HN   ) (resi 20 and name HD1#  ) 4.0 2.2 2.5          
assi (resi 20 and name HN   ) (resi 20 and name HD2#  ) 4.0 2.2 2.5          
assi (resi 20 and name HA   ) (resi 20 and name HB1   ) 4.0 2.2 1.0          
assi (resi 20 and name HA   ) (resi 20 and name HB2   ) 4.0 2.2 1.0          
assi (resi 20 and name HA   ) (resi 20 and name HG    ) 4.0 2.2 1.0          
assi (resi 20 and name HA   ) (resi 20 and name HD1#  ) 4.0 2.2 2.5          
assi (resi 20 and name HA   ) (resi 20 and name HD2#  ) 3.0 1.2 1.8          
assi (resi 20 and name HB#  ) (resi 20 and name HD1#  ) 4.0 2.2 3.5          
assi (resi 20 and name HB#  ) (resi 20 and name HD2#  ) 4.0 2.2 3.5          
                                                                      
!! residue 21 ALA                                                     
assi (resi 21 and name HN   ) (resi 21 and name HA    ) 3.0 1.2 0.3          
assi (resi 21 and name HN   ) (resi 21 and name HB#   ) 3.0 1.2 1.8          
assi (resi 21 and name HA   ) (resi 21 and name HB#   ) 3.0 1.2 1.8          
                                                                      
!! residue 22 GLU                                                             
assi (resi 22 and name HN   ) (resi 22 and name HA    ) 3.0 1.2 0.3          
assi (resi 22 and name HN   ) (resi 22 and name HB1   ) 3.0 1.2 0.3          
assi (resi 22 and name HN   ) (resi 22 and name HB2   ) 4.0 2.2 1.0          
assi (resi 22 and name HN   ) (resi 22 and name HG#   ) 4.0 2.2 2.0          
assi (resi 22 and name HA   ) (resi 22 and name HB1   ) 3.0 1.2 0.3          
assi (resi 22 and name HA   ) (resi 22 and name HB2   ) 3.0 1.2 0.3          
assi (resi 22 and name HA   ) (resi 22 and name HG#   ) 3.0 1.2 1.3          
                                                                      
!! residue 23 HIS                                                   
assi (resi 23 and name HN   ) (resi 23 and name HA    ) 4.0 2.2 1.0          
assi (resi 23 and name HN   ) (resi 23 and name HB1   ) 4.0 2.2 1.0          
assi (resi 23 and name HN   ) (resi 23 and name HB2   ) 3.0 1.2 0.3          
assi (resi 23 and name HN   ) (resi 23 and name HD2   ) 4.0 2.2 1.0          
assi (resi 23 and name HA   ) (resi 23 and name HB1   ) 2.5 0.7 0.3          
assi (resi 23 and name HA   ) (resi 23 and name HB2   ) 3.0 1.2 0.3          
assi (resi 23 and name HA   ) (resi 23 and name HD2   ) 4.0 2.2 1.0          
assi (resi 23 and name HB1  ) (resi 23 and name HD2   ) 4.0 2.2 1.0          
assi (resi 23 and name HB2  ) (resi 23 and name HD2   ) 4.0 2.2 1.0          
assi (resi 23 and name HA   ) (resi 23 and name HE1   ) 5.0 2.5 1.0          
assi (resi 23 and name HB1  ) (resi 23 and name HE1   ) 5.0 2.5 1.0          
                                                                      
!! residue 24 ASN                                                          
assi (resi 24 and name HN   ) (resi 24 and name HA    ) 2.5 0.7 0.3          
assi (resi 24 and name HN   ) (resi 24 and name HB1   ) 4.0 2.2 1.0          
assi (resi 24 and name HN   ) (resi 24 and name HB2   ) 4.0 2.2 1.0          
assi (resi 24 and name HA   ) (resi 24 and name HB1   ) 3.0 1.2 0.3          
assi (resi 24 and name HA   ) (resi 24 and name HB2   ) 3.0 1.2 0.3          
assi (resi 24 and name HB1  ) (resi 24 and name HD21  ) 4.0 2.2 1.0          
assi (resi 24 and name HB2  ) (resi 24 and name HD21  ) 4.0 2.2 1.0          
                                                                      
!! residue 25 LEU                                                  
assi (resi 25 and name HN   ) (resi 25 and name HA    ) 4.0 2.2 1.0          
assi (resi 25 and name HN   ) (resi 25 and name HB1   ) 4.0 2.2 1.0          
assi (resi 25 and name HN   ) (resi 25 and name HB2   ) 3.0 1.2 0.3          
assi (resi 25 and name HN   ) (resi 25 and name HG    ) 4.0 2.2 1.0          
assi (resi 25 and name HN   ) (resi 25 and name HD1#  ) 4.0 2.2 2.5          
assi (resi 25 and name HN   ) (resi 25 and name HD2#  ) 4.0 2.2 2.5          
assi (resi 25 and name HA   ) (resi 25 and name HB1   ) 3.0 1.2 1.3          
assi (resi 25 and name HA   ) (resi 25 and name HB2   ) 3.0 1.2 1.3          
assi (resi 25 and name HA   ) (resi 25 and name HD1#  ) 4.0 2.2 2.5          
assi (resi 25 and name HA   ) (resi 25 and name HD2#  ) 3.0 1.2 1.8          
assi (resi 25 and name HB2  ) (resi 25 and name HD1#  ) 3.0 1.2 1.8          
assi (resi 25 and name HB2  ) (resi 25 and name HD2#  ) 3.0 1.2 1.8          
assi (resi 25 and name HB1  ) (resi 25 and name HD1#  ) 3.0 1.2 1.8          
assi (resi 25 and name HB1  ) (resi 25 and name HD2#  ) 3.0 1.2 1.8          
                                                                      
!! residue 26 ASP                                                            
assi (resi 26 and name HN   ) (resi 26 and name HA    ) 4.0 2.2 1.0          
assi (resi 26 and name HN   ) (resi 26 and name HB1   ) 4.0 2.2 1.0          
assi (resi 26 and name HN   ) (resi 26 and name HB2   ) 4.0 2.2 1.0          
assi (resi 26 and name HA   ) (resi 26 and name HB1   ) 3.0 1.2 0.3          
assi (resi 26 and name HA   ) (resi 26 and name HB2   ) 3.0 1.2 0.3          
                                                                      
!! residue 27 ALA                                                     
assi (resi 27 and name HN   ) (resi 27 and name HA    ) 4.0 2.2 1.0          
assi (resi 27 and name HN   ) (resi 27 and name HB#   ) 3.0 1.2 1.8          
assi (resi 27 and name HA   ) (resi 27 and name HB#   ) 3.0 1.2 1.8          
                                                                      
!! residue 28 SER                                                     
assi (resi 28 and name HN   ) (resi 28 and name HA    ) 4.0 2.2 1.0          
assi (resi 28 and name HN   ) (resi 28 and name HB#   ) 3.0 1.2 1.3          
assi (resi 28 and name HA   ) (resi 28 and name HB1   ) 3.0 1.2 0.3          
assi (resi 28 and name HA   ) (resi 28 and name HB2   ) 3.0 1.2 0.3          
                                                                      
!! residue 29 ALA                                                     
assi (resi 29 and name HN   ) (resi 29 and name HA    ) 4.0 2.2 1.0          
assi (resi 29 and name HN   ) (resi 29 and name HB#   ) 3.0 1.2 1.8          
assi (resi 29 and name HA   ) (resi 29 and name HB#   ) 3.0 1.2 1.8          
                                                                      
!! residue 30 ILE                                                      
assi (resi 30 and name HN   ) (resi 30 and name HA    ) 4.0 2.2 1.0          
assi (resi 30 and name HN   ) (resi 30 and name HB    ) 3.0 1.2 0.3          
assi (resi 30 and name HN   ) (resi 30 and name HG11  ) 4.0 2.2 1.0          
assi (resi 30 and name HN   ) (resi 30 and name HG12  ) 4.0 2.2 1.0          
assi (resi 30 and name HN   ) (resi 30 and name HG2#  ) 4.0 2.2 2.5          
assi (resi 30 and name HA   ) (resi 30 and name HB    ) 4.0 2.2 1.0          
assi (resi 30 and name HA   ) (resi 30 and name HG11  ) 4.0 2.2 1.0          
assi (resi 30 and name HA   ) (resi 30 and name HG12  ) 3.0 1.2 0.3          
assi (resi 30 and name HA   ) (resi 30 and name HG2#  ) 3.0 1.2 1.8          
assi (resi 30 and name HA   ) (resi 30 and name HD#   ) 4.0 2.2 2.5          
assi (resi 30 and name HB   ) (resi 30 and name HD#   ) 4.0 2.2 2.5          
                                                                        
!! residue 31 LYS                                                         
assi (resi 31 and name HN   ) (resi 31 and name HA    ) 4.0 2.2 1.0          
assi (resi 31 and name HN   ) (resi 31 and name HB#   ) 3.0 1.2 1.3          
assi (resi 31 and name HA   ) (resi 31 and name HB#   ) 3.0 1.2 1.3          
                                                                                
!! residue 32 GLY                                                      
assi (resi 32 and name HN   ) (resi 32 and name HA#   ) 2.5 0.7 1.3          
                                                                      
!! residue 33 THR                                                         
assi (resi 33 and name HN   ) (resi 33 and name HG2#  ) 4.0 2.2 2.5          
assi (resi 33 and name HA   ) (resi 33 and name HB    ) 3.0 1.2 0.3          
assi (resi 33 and name HA   ) (resi 33 and name HG2#  ) 3.0 1.2 1.8          
assi (resi 33 and name HB   ) (resi 33 and name HG2#  ) 3.0 1.2 1.8          
                                                                      
!! residue 34 GLY                                                      
assi (resi 34 and name HN   ) (resi 34 and name HA#   ) 2.5 0.7 1.3          
                                                                      
!! residue 35 VAL                                                     
assi (resi 35 and name HN   ) (resi 35 and name HA    ) 4.0 2.2 1.0          
assi (resi 35 and name HN   ) (resi 35 and name HB    ) 3.0 1.2 0.3          
assi (resi 35 and name HN   ) (resi 35 and name HG1#  ) 4.0 2.2 2.5          
assi (resi 35 and name HN   ) (resi 35 and name HG2#  ) 3.0 1.2 1.8          
assi (resi 35 and name HA   ) (resi 35 and name HB    ) 3.0 1.2 0.3          
assi (resi 35 and name HA   ) (resi 35 and name HG1#  ) 3.0 1.2 1.8          
assi (resi 35 and name HA   ) (resi 35 and name HG2#  ) 3.0 1.2 1.8          

!! residue 36 GLY                                                      
assi (resi 36 and name HN   ) (resi 36 and name HA#   ) 2.5 0.7 1.3          
                                                                     
!! residue 37 GLY                                                      
assi (resi 37 and name HN   ) (resi 37 and name HA1   ) 3.0 1.2 0.3          
assi (resi 37 and name HN   ) (resi 37 and name HA2   ) 2.5 0.7 0.3          
                                                                      
!! residue 38 ARG                                                               
assi (resi 38 and name HN   ) (resi 38 and name HA    ) 4.0 2.2 1.0          
assi (resi 38 and name HN   ) (resi 38 and name HB#   ) 4.0 2.2 2.0          
assi (resi 38 and name HN   ) (resi 38 and name HG#   ) 4.0 2.2 2.0          
assi (resi 38 and name HA   ) (resi 38 and name HB1   ) 4.0 2.2 1.0          
assi (resi 38 and name HA   ) (resi 38 and name HB2   ) 4.0 2.2 1.0          
assi (resi 38 and name HA   ) (resi 38 and name HD#   ) 4.0 2.2 2.0          
assi (resi 38 and name HB#  ) (resi 38 and name HE    ) 4.0 2.2 2.0          
assi (resi 38 and name HG#  ) (resi 38 and name HE    ) 4.0 2.2 2.0          
                                                                      
!! residue 39 LEU                                                      
assi (resi 39 and name HN   ) (resi 39 and name HA    ) 4.0 2.2 1.0          
assi (resi 39 and name HN   ) (resi 39 and name HB1   ) 3.0 1.2 0.3          
assi (resi 39 and name HN   ) (resi 39 and name HB2   ) 3.0 1.2 0.3          
assi (resi 39 and name HN   ) (resi 39 and name HD1#  ) 4.0 2.2 2.5          
assi (resi 39 and name HN   ) (resi 39 and name HD2#  ) 4.0 2.2 2.5          
assi (resi 39 and name HA   ) (resi 39 and name HB1   ) 3.0 1.2 0.3          
assi (resi 39 and name HA   ) (resi 39 and name HB2   ) 2.5 0.7 0.3          
assi (resi 39 and name HA   ) (resi 39 and name HG    ) 4.0 2.2 1.0          
assi (resi 39 and name HA   ) (resi 39 and name HD1#  ) 3.0 1.2 1.8          
assi (resi 39 and name HA   ) (resi 39 and name HD2#  ) 3.0 1.2 1.8          
                                                                      
!! residue 40 THR                                                         
assi (resi 40 and name HN   ) (resi 40 and name HA    ) 4.0 2.2 1.0          
assi (resi 40 and name HN   ) (resi 40 and name HG2#  ) 4.0 2.2 2.5          
assi (resi 40 and name HA   ) (resi 40 and name HB    ) 3.0 1.2 0.3          
assi (resi 40 and name HA   ) (resi 40 and name HG2#  ) 3.0 1.2 1.8          
assi (resi 40 and name HB   ) (resi 40 and name HG2#  ) 3.0 1.2 1.8          
                                                                      
!! residue 41 ARG                                                               
assi (resi 41 and name HN   ) (resi 41 and name HA    ) 3.0 1.2 0.3          
assi (resi 41 and name HN   ) (resi 41 and name HB1   ) 3.0 1.2 0.3        
assi (resi 41 and name HN   ) (resi 41 and name HB2   ) 3.0 1.2 0.3        
assi (resi 41 and name HN   ) (resi 41 and name HG#   ) 4.0 2.2 2.0        
assi (resi 41 and name HN   ) (resi 41 and name HD#   ) 5.0 2.5 2.0        
assi (resi 41 and name HA   ) (resi 41 and name HB1   ) 4.0 2.2 1.0        
assi (resi 41 and name HA   ) (resi 41 and name HB2   ) 2.5 0.7 0.3        
assi (resi 41 and name HA   ) (resi 41 and name HG#   ) 3.0 1.2 1.3        
assi (resi 41 and name HA   ) (resi 41 and name HD#   ) 4.0 2.2 2.0        
assi (resi 41 and name HB2  ) (resi 41 and name HD#   ) 3.0 1.2 1.3          
assi (resi 41 and name HB2  ) (resi 41 and name HE    ) 5.0 2.5 1.0          
assi (resi 41 and name HG#  ) (resi 41 and name HE    ) 4.0 2.2 2.0          
                                                                      
!! residue 42 GLU                                                             
assi (resi 42 and name HN   ) (resi 42 and name HA    ) 3.0 1.2 0.3          
assi (resi 42 and name HN   ) (resi 42 and name HB1   ) 4.0 2.2 1.0          
assi (resi 42 and name HN   ) (resi 42 and name HB2   ) 3.0 1.2 0.3          
assi (resi 42 and name HN   ) (resi 42 and name HG#   ) 5.0 2.5 2.0          
assi (resi 42 and name HA   ) (resi 42 and name HB1   ) 3.0 1.2 0.3          
assi (resi 42 and name HA   ) (resi 42 and name HB2   ) 3.0 1.2 0.3          
assi (resi 42 and name HA   ) (resi 42 and name HG#   ) 3.0 1.2 1.3          
                                                                      
!! residue 43 ASP                                                            
assi (resi 43 and name HN   ) (resi 43 and name HA    ) 4.0 2.2 1.0          
assi (resi 43 and name HN   ) (resi 43 and name HB#   ) 3.0 1.2 1.3          
assi (resi 43 and name HA   ) (resi 43 and name HB1   ) 3.0 1.2 0.3          
assi (resi 43 and name HA   ) (resi 43 and name HB2   ) 3.0 1.2 0.3          
                                                                      
!! residue 44 VAL                                                     
assi (resi 44 and name HN   ) (resi 44 and name HA    ) 4.0 2.2 1.0          
assi (resi 44 and name HN   ) (resi 44 and name HB    ) 2.5 0.7 0.3          
assi (resi 44 and name HN   ) (resi 44 and name HG1#  ) 4.0 2.2 2.5          
assi (resi 44 and name HN   ) (resi 44 and name HG2#  ) 3.0 1.2 1.8          
assi (resi 44 and name HA   ) (resi 44 and name HB    ) 3.0 1.2 0.3          
assi (resi 44 and name HA   ) (resi 44 and name HG1#  ) 3.0 1.2 1.8          
assi (resi 44 and name HA   ) (resi 44 and name HG2#  ) 3.0 1.2 1.8          
                                                                       
!! residue 45 GLU                                                             
assi (resi 45 and name HN   ) (resi 45 and name HA    ) 4.0 2.2 1.0          
assi (resi 45 and name HN   ) (resi 45 and name HB1   ) 4.0 2.2 1.0          
assi (resi 45 and name HN   ) (resi 45 and name HB2   ) 3.0 1.2 0.3          
assi (resi 45 and name HN   ) (resi 45 and name HG#   ) 4.0 2.2 2.0          
assi (resi 45 and name HA   ) (resi 45 and name HB#   ) 3.0 1.2 1.3           
assi (resi 45 and name HA   ) (resi 45 and name HG#   ) 3.0 1.2 1.3          
                                                                      
!! residue 46 LYS                                                         
assi (resi 46 and name HN   ) (resi 46 and name HA    ) 4.0 2.2 1.0          
assi (resi 46 and name HN   ) (resi 46 and name HB#   ) 3.0 1.2 1.3          
                                                                      
!! residue 47 HIS                                                   
assi (resi 47 and name HN   ) (resi 47 and name HA    ) 3.0 1.2 0.3          
assi (resi 47 and name HN   ) (resi 47 and name HB1   ) 3.0 1.2 0.3          
assi (resi 47 and name HN   ) (resi 47 and name HB2   ) 4.0 2.2 1.0          
assi (resi 47 and name HA   ) (resi 47 and name HB1   ) 3.0 1.2 0.3          
assi (resi 47 and name HA   ) (resi 47 and name HB2   ) 3.0 1.2 0.3          
assi (resi 47 and name HA   ) (resi 47 and name HD2   ) 5.0 2.5 1.0          
assi (resi 47 and name HB1  ) (resi 47 and name HD2   ) 4.0 2.2 1.0          
assi (resi 47 and name HB2  ) (resi 47 and name HD2   ) 4.0 2.2 1.0          
                                                                      
!! residue 48 LEU                                                  
assi (resi 48 and name HN   ) (resi 48 and name HA    ) 3.0 1.2 0.3          
assi (resi 48 and name HN   ) (resi 48 and name HB1   ) 4.0 2.2 1.0          
assi (resi 48 and name HN   ) (resi 48 and name HB2   ) 3.0 1.2 0.3          
assi (resi 48 and name HN   ) (resi 48 and name HG    ) 4.0 2.2 1.0          
assi (resi 48 and name HN   ) (resi 48 and name HD1#  ) 4.0 2.2 2.5          
assi (resi 48 and name HN   ) (resi 48 and name HD2#  ) 4.0 2.2 2.5          
assi (resi 48 and name HA   ) (resi 48 and name HB1   ) 4.0 2.2 1.0          
assi (resi 48 and name HA   ) (resi 48 and name HB2   ) 4.0 2.2 1.0          
assi (resi 48 and name HA   ) (resi 48 and name HG    ) 4.0 2.2 1.0          
assi (resi 48 and name HA   ) (resi 48 and name HD1#  ) 4.0 2.2 2.5          
assi (resi 48 and name HA   ) (resi 48 and name HD2#  ) 2.5 0.7 1.8          
assi (resi 48 and name HB1  ) (resi 48 and name HD1#  ) 3.0 1.2 1.8          
assi (resi 48 and name HB1  ) (resi 48 and name HD2#  ) 3.0 1.2 1.8          
assi (resi 48 and name HB2  ) (resi 48 and name HD1#  ) 2.5 0.7 1.8          
assi (resi 48 and name HB2  ) (resi 48 and name HD2#  ) 4.0 2.2 2.5          
                                                                      
!! residue 49 ALA                                                     
assi (resi 49 and name HN   ) (resi 49 and name HA    ) 4.0 2.2 1.0          
assi (resi 49 and name HN   ) (resi 49 and name HB#   ) 3.0 1.2 1.8          
assi (resi 49 and name HA   ) (resi 49 and name HB#   ) 3.0 1.2 1.8          
                                                                      
!! residue 50 LYS                                                         
assi (resi 50 and name HN   ) (resi 50 and name HA    ) 3.0 1.2 0.3          
assi (resi 50 and name HN   ) (resi 50 and name HB#   ) 4.0 2.2 2.0          
                                                                      
!! residue 51 ALA                                                     
assi (resi 51 and name HN   ) (resi 51 and name HA    ) 3.0 1.2 0.3          
assi (resi 51 and name HN   ) (resi 51 and name HB#   ) 3.0 1.2 1.8          
assi (resi 51 and name HA   ) (resi 51 and name HB#   ) 3.0 1.2 1.8          



(ii) Interresidue restraints long range |i-j| > 5
                                                                      
!! residue 16 ILE                                                        
assi (resi 16 and name HD#  ) (resi 40 and name HA    ) 3.0 1.2 1.8           
assi (resi 16 and name HD#  ) (resi 41 and name HN    ) 4.0 2.2 2.5
assi (resi 16 and name HG11 ) (resi 41 and name HA    ) 4.0 2.2 1.0
assi (resi 16 and name HD#  ) (resi 41 and name HA    ) 4.0 2.2 2.5
                                                                      
!! residue 19 LEU                                                  
assi (resi 19 and name HD1# ) (resi 48 and name HD1#  ) 3.0 1.2 3.3
assi (resi 19 and name HD2# ) (resi 44 and name HG1#  ) 4.0 2.2 4.0           
assi (resi 19 and name HD2# ) (resi 44 and name HG2#  ) 4.0 2.2 4.0           
                                                                      
!! residue 20 LEU                                                  
assi (resi 20 and name HD2# ) (resi 44 and name HG2#  ) 3.0 1.2 3.3           
                                                                      
                                                                      
!! residue 23 HIS                                                   
assi (resi 23 and name HB1  ) (resi 48 and name HD2#  ) 3.0 1.2 1.8          
assi (resi 23 and name HB2  ) (resi 48 and name HD2#  ) 4.0 2.2 2.5          
assi (resi 23 and name HD2  ) (resi 48 and name HD1#  ) 4.0 2.2 2.5          
assi (resi 23 and name HD2  ) (resi 48 and name HD2#  ) 4.0 2.2 2.5          
assi (resi 23 and name HE1  ) (resi 48 and name HD1#  ) 5.0 2.5 2.5          
assi (resi 23 and name HE1  ) (resi 48 and name HD2#  ) 4.0 2.2 2.5          
                                                                       
!! residue 25 LEU                                                  
assi (resi 25 and name HD1# ) (resi 47 and name HD2   ) 4.0 2.2 2.5      
assi (resi 25 and name HD2# ) (resi 47 and name HD2   ) 3.0 1.2 1.8      
assi (resi 25 and name HD1# ) (resi 47 and name HB1   ) 5.0 2.5 2.5      
                                                                      
!! residue 27 ALA                                                     
assi (resi 27 and name HN   ) (resi 39 and name HD2#  ) 4.0 2.2 2.5           

!! residue 29 ALA                                                     
assi (resi 29 and name HB#  ) (resi 47 and name HE1   ) 5.0 2.5 2.0
                                                                      
!! residue 30 ILE                                                          
assi (resi 30 and name HG2# ) (resi 43 and name HB1   ) 3.0 1.2 1.8          
assi (resi 30 and name HG2# ) (resi 43 and name HB2   ) 4.0 2.2 2.5          
assi (resi 30 and name HG11 ) (resi 43 and name HB1   ) 5.0 2.5 1.0          
assi (resi 30 and name HG12 ) (resi 44 and name HA    ) 4.0 2.2 1.0          
assi (resi 30 and name HG11 ) (resi 44 and name HA    ) 3.0 1.2 0.3          
assi (resi 30 and name HG11 ) (resi 44 and name HG2#  ) 3.0 1.2 1.8          
assi (resi 30 and name HG2# ) (resi 44 and name HA    ) 3.0 1.2 1.8          
assi (resi 30 and name HG11 ) (resi 47 and name HB1   ) 4.0 2.2 1.0          
assi (resi 30 and name HG11 ) (resi 47 and name HB2   ) 4.0 2.2 1.0          
assi (resi 30 and name HG11 ) (resi 47 and name HD2   ) 4.0 2.2 1.0    
assi (resi 30 and name HG11 ) (resi 47 and name HE1   ) 5.0 2.5 1.0    
assi (resi 30 and name HG2# ) (resi 47 and name HB1   ) 4.0 2.2 2.5          
assi (resi 30 and name HG2# ) (resi 47 and name HB2   ) 4.0 2.2 2.5 
assi (resi 30 and name HG2# ) (resi 47 and name HE1   ) 5.0 2.5 2.5                
assi (resi 30 and name HD#  ) (resi 47 and name HB1   ) 4.0 2.2 2.5       
assi (resi 30 and name HD#  ) (resi 47 and name HE1   ) 5.0 2.5 2.5   
                                                                        
!! residue 32 GLY                                                      
assi (resi 32 and name HA1  ) (resi 39 and name HA    ) 3.0 1.2 0.3          
assi (resi 32 and name HA2  ) (resi 39 and name HA    ) 3.0 1.2 0.3          
assi (resi 32 and name HA1  ) (resi 39 and name HD*   ) 4.0 2.2 3.7          
assi (resi 32 and name HA2  ) (resi 39 and name HD1#  ) 4.0 2.2 2.5          
assi (resi 32 and name HA2  ) (resi 39 and name HD2#  ) 4.0 2.2 2.5          
assi (resi 32 and name HA2  ) (resi 40 and name HG2#  ) 4.0 2.2 2.5          
                                                                      
!! residue 34 GLY                                                      
assi (resi 34 and name HN   ) (resi 40 and name HG2#  ) 3.0 1.2 1.8           
assi (resi 34 and name HA1  ) (resi 40 and name HG2#  ) 3.0 1.2 1.8          
assi (resi 34 and name HA2  ) (resi 40 and name HG2#  ) 3.0 1.2 1.8          
                                                                             
(iii) Interresidue short range 1 < |i - j <=5                                                                      
                                                                      
!! residue 3 SER                                                     
assi (resi  3 and name HB#  ) (resi  5 and name HN  ) 4.0 2.2 2.0          
assi (resi  3 and name HN   ) (resi  6 and name HB# ) 4.0 2.2 2.0          

!! residue 12 LEU                                                  
assi (resi 12 and name HA   ) (resi 16 and name HB    ) 5.0 2.5 1.0          
assi (resi 12 and name HB1  ) (resi 16 and name HB    ) 4.0 2.2 1.0          
                                                                       
!! residue 13 SER                                                     
assi (resi 13 and name HA   ) (resi 15 and name HN    ) 4.0 2.2 1.0          
assi (resi 13 and name HN   ) (resi 16 and name HB    ) 4.0 2.2 1.0          
assi (resi 13 and name HN   ) (resi 16 and name HN    ) 4.0 2.2 1.0          
assi (resi 13 and name HA   ) (resi 16 and name HB    ) 4.0 2.2 1.0          
                                                                      
!! residue 14 PRO                                                         
assi (resi 14 and name HA   ) (resi 17 and name HN    ) 4.0 2.2 1.0          
                                                                      
!! residue 15 ALA                                                     
assi (resi 15 and name HA   ) (resi 17 and name HN    ) 4.0 2.2 1.0          
assi (resi 15 and name HA   ) (resi 18 and name HN    ) 4.0 2.2 1.0          
                                                                       
!! residue 16 ILE                                                        
assi (resi 16 and name HA   ) (resi 19 and name HN    ) 4.0 2.2 1.0          
assi (resi 16 and name HA   ) (resi 19 and name HB1   ) 3.0 1.2 0.3          
assi (resi 16 and name HA   ) (resi 19 and name HB2   ) 3.0 1.2 0.3          
assi (resi 16 and name HA   ) (resi 19 and name HD1#  ) 3.0 1.2 1.8          
                                                                      
!! residue 17 ARG                                                               
assi (resi 17 and name HA   ) (resi 20 and name HN    ) 5.0 2.5 1.0          
assi (resi 17 and name HA   ) (resi 20 and name HB#   ) 4.0 2.2 2.0          
                                                                      
!! residue 18 ARG                                                               
assi (resi 18 and name HA   ) (resi 21 and name HN    ) 4.0 2.2 1.0          
assi (resi 18 and name HA   ) (resi 21 and name HB#   ) 3.0 1.2 1.8          
assi (resi 18 and name HA   ) (resi 22 and name HN    ) 4.0 2.2 1.0          
                                                                      
!! residue 19 LEU                                                  
assi (resi 19 and name HN   ) (resi 21 and name HN    ) 5.0 2.5 1.0          
assi (resi 19 and name HA   ) (resi 22 and name HN    ) 4.0 2.2 1.0          
assi (resi 19 and name HA   ) (resi 22 and name HB1   ) 3.0 1.2 0.3          
assi (resi 19 and name HA   ) (resi 23 and name HD2   ) 4.0 2.2 1.0          
assi (resi 19 and name HG   ) (resi 23 and name HD2   ) 4.0 2.2 1.0          
assi (resi 19 and name HD1# ) (resi 23 and name HD2   ) 3.0 1.2 1.8          
assi (resi 19 and name HD2# ) (resi 23 and name HD2   ) 4.0 2.2 2.5          
assi (resi 19 and name HA   ) (resi 23 and name HE1   ) 5.0 2.5 1.0          
assi (resi 19 and name HG   ) (resi 23 and name HE1   ) 5.0 2.5 1.0          
assi (resi 19 and name HD1# ) (resi 23 and name HE1   ) 4.0 2.2 2.5          
assi (resi 19 and name HD2# ) (resi 23 and name HE1   ) 5.0 2.5 2.5          
                                                                      
!! residue 20 LEU                                                  
assi (resi 20 and name HA   ) (resi 23 and name HB1   ) 5.0 2.5 1.0          
assi (resi 20 and name HA   ) (resi 23 and name HB2   ) 4.0 2.2 1.0          
assi (resi 20 and name HA   ) (resi 23 and name HD2   ) 5.0 2.5 1.0          
assi (resi 20 and name HA   ) (resi 25 and name HD1#  ) 4.0 2.2 2.5          
assi (resi 20 and name HA   ) (resi 25 and name HB2   ) 4.0 2.2 1.0          
assi (resi 20 and name HD2# ) (resi 25 and name HB1   ) 3.0 1.2 1.8          
assi (resi 20 and name HD2# ) (resi 25 and name HB2   ) 3.0 1.2 1.8          

!! residue 21 ALA                                                     
assi (resi 21 and name HA   ) (resi 24 and name HN    ) 5.0 2.5 1.0          
                                                                      
!! residue 22 GLU                                                             
assi (resi 22 and name HA   ) (resi 24 and name HN    ) 5.0 2.5 1.0          
                                                                      
!! residue 23 HIS                                                   
assi (resi 23 and name HB1  ) (resi 25 and name HG    ) 4.0 2.2 1.0          
assi (resi 23 and name HB2  ) (resi 25 and name HG    ) 4.0 2.2 1.0          
assi (resi 23 and name HB2  ) (resi 25 and name HB2   ) 5.0 2.5 1.0          
assi (resi 23 and name HB1  ) (resi 25 and name HD1#  ) 4.0 2.2 2.5          
assi (resi 23 and name HB2  ) (resi 25 and name HD1#  ) 4.0 2.2 2.5          
                                                                      
!! residue 25 LEU                                                  
assi (resi 25 and name HB1  ) (resi 30 and name HG11  ) 4.0 2.2 1.0     
assi (resi 25 and name HB1  ) (resi 30 and name HG12  ) 4.0 2.2 1.0     
assi (resi 25 and name HB2  ) (resi 30 and name HG11  ) 5.0 2.5 1.0     
assi (resi 25 and name HD1# ) (resi 30 and name HG11  ) 4.0 2.2 2.5          
                                                                      
!! residue 26 ASP                                                            
assi (resi 26 and name HA   ) (resi 28 and name HN    ) 5.0 2.5 1.0          
assi (resi 26 and name HB#  ) (resi 28 and name HN    ) 5.0 2.5 2.0          
assi (resi 26 and name HB1  ) (resi 29 and name HB#   ) 4.0 2.2 2.5          
assi (resi 26 and name HB2  ) (resi 29 and name HB#   ) 4.0 2.2 2.5          
                                                                      
!! residue 27 ALA                                                     
assi (resi 27 and name HA   ) (resi 29 and name HN    ) 5.0 2.5 1.0          
assi (resi 27 and name HA   ) (resi 30 and name HB    ) 4.0 2.2 1.0          
assi (resi 27 and name HA   ) (resi 30 and name HG11  ) 3.0 1.2 0.3          
assi (resi 27 and name HA   ) (resi 30 and name HG12  ) 4.0 2.2 1.0          
assi (resi 27 and name HA   ) (resi 30 and name HD#   ) 5.0 2.2 2.5          
assi (resi 27 and name HB#  ) (resi 30 and name HG11  ) 5.0 2.5 2.5          
                                                                      
!! residue 28 SER                                                     
assi (resi 28 and name HN   ) (resi 30 and name HN    ) 4.0 2.2 1.0          
assi (resi 28 and name HA   ) (resi 30 and name HN    ) 4.0 2.2 1.0          
                                                                                
!! residue 32 GLY                                                      
assi (resi 32 and name HA2  ) (resi 34 and name HN    ) 5.0 2.5 1.0          
                                                                      
!! residue 33 THR                                                         
assi (resi 33 and name HA   ) (resi 37 and name HA1   ) 5.0 2.5 1.0          
assi (resi 33 and name HA   ) (resi 37 and name HA2   ) 5.0 2.5 1.0          
assi (resi 33 and name HN   ) (resi 38 and name HN    ) 3.5 1.0 20.0          
                                                                      
!! residue 34 GLY                                                      
assi (resi 34 and name HN   ) (resi 38 and name HN    ) 3.5 1.0 20.0          
assi (resi 34 and name HA#  ) (resi 38 and name HB1   ) 4.0 2.2 2.0          
assi (resi 34 and name HA#  ) (resi 38 and name HB2   ) 4.0 2.2 2.0          
                                                                             
!! residue 35 VAL                                                     
assi (resi 35 and name HN   ) (resi 40 and name HG2#  ) 4.0 2.2 2.5
assi (resi 35 and name HG1# ) (resi 38 and name HD#   ) 5.0 2.5 3.5
                                                                      
!! residue 39 LEU                                                      
assi (resi 39 and name HA   ) (resi 43 and name HB2   ) 5.0 2.5 1.0          
assi (resi 39 and name HD1# ) (resi 43 and name HB1   ) 4.0 2.2 2.5          
assi (resi 39 and name HD1# ) (resi 43 and name HB2   ) 4.0 2.2 2.5          
assi (resi 39 and name HD2# ) (resi 43 and name HB1   ) 4.0 2.2 2.5          
assi (resi 39 and name HD2# ) (resi 43 and name HB2   ) 4.0 2.2 2.5          
assi (resi 39 and name HD1# ) (resi 44 and name HB    ) 4.0 2.2 2.5          
                                                                      
!! residue 40 THR                                                         
assi (resi 40 and name HA   ) (resi 42 and name HN    ) 5.0 2.5 1.0
assi (resi 40 and name HB   ) (resi 42 and name HN    ) 4.0 2.2 1.0             
assi (resi 40 and name HN   ) (resi 43 and name HN    ) 5.0 2.5 1.0          
assi (resi 40 and name HN   ) (resi 43 and name HB1   ) 4.0 2.2 1.0          
assi (resi 40 and name HN   ) (resi 43 and name HB2   ) 4.0 2.2 1.0          
                                                                      
!! residue 41 ARG                                                               
assi (resi 41 and name HN   ) (resi 43 and name HN    ) 5.0 2.5 1.0          
assi (resi 41 and name HA   ) (resi 44 and name HN    ) 5.0 2.5 1.0          
assi (resi 41 and name HA   ) (resi 44 and name HB    ) 4.0 2.2 1.0          
assi (resi 41 and name HA   ) (resi 44 and name HG2#  ) 3.0 1.2 1.8          
                                                                      
!! residue 42 GLU                                                             
assi (resi 42 and name HA   ) (resi 44 and name HN    ) 4.0 2.2 1.0          
assi (resi 42 and name HA   ) (resi 45 and name HN    ) 4.0 2.2 1.0          
                                                                      
!! residue 43 ASP                                                            
assi (resi 43 and name HN   ) (resi 45 and name HN    ) 5.0 2.5 1.0          
assi (resi 43 and name HA   ) (resi 46 and name HN    ) 4.0 2.2 1.0          
assi (resi 43 and name HA   ) (resi 46 and name HB#   ) 4.0 2.2 2.0          
                                                                      
!! residue 44 VAL                                                     
assi (resi 44 and name HA   ) (resi 47 and name HN    ) 4.0 2.2 1.0          
assi (resi 44 and name HA   ) (resi 47 and name HA    ) 5.0 2.5 1.0          
assi (resi 44 and name HA   ) (resi 47 and name HB1   ) 4.0 2.2 1.0          
assi (resi 44 and name HA   ) (resi 47 and name HB2   ) 4.0 2.2 1.0          
assi (resi 44 and name HA   ) (resi 47 and name HD2   ) 5.0 2.5 1.0          
assi (resi 44 and name HG1# ) (resi 48 and name HD1#  ) 3.0 1.2 3.3          
                                                                      
!! residue 45 GLU                                                             
assi (resi 45 and name HA   ) (resi 48 and name HN    ) 4.0 2.2 1.0          
assi (resi 45 and name HA   ) (resi 48 and name HB2   ) 4.0 2.2 1.0          
assi (resi 45 and name HA   ) (resi 48 and name HG    ) 5.0 2.5 1.0          
assi (resi 45 and name HA   ) (resi 48 and name HD1#  ) 3.0 1.2 1.8          
assi (resi 45 and name HG#  ) (resi 48 and name HD1#  ) 4.0 2.2 3.5          
                                                                      
!! residue 46 LYS                                                         
assi (resi 46 and name HN   ) (resi 48 and name HN    ) 5.0 2.5 1.0          


(iv) Interresidue sequential |i-j| = 1

!! residue 1 TYR
assi (resi  1 and name HA   ) (resi  2 and name HN    ) 3.0 1.2 0.3          
assi (resi  1 and name HB#  ) (resi  2 and name HN    ) 4.0 2.2 2.0          
assi (resi  1 and name HD#  ) (resi  2 and name HN    ) 5.0 2.5 3.0          
                                                                      
!! residue 2 ALA                                                     
assi (resi  2 and name HN   ) (resi  3 and name HN    ) 4.0 2.2 1.0          
assi (resi  2 and name HA   ) (resi  3 and name HN    ) 3.0 1.2 0.3          
assi (resi  2 and name HB#  ) (resi  3 and name HN    ) 4.0 2.2 2.5          
                                                                      
!! residue 3 SER                                                     
assi (resi  3 and name HA   ) (resi  4 and name HN    ) 3.0 1.2 0.3          
assi (resi  3 and name HB#  ) (resi  4 and name HN    ) 4.0 2.2 2.0          
                                                                      
!! residue 4 LEU                                                  
assi (resi  4 and name HN   ) (resi  5 and name HN    ) 4.0 2.2 1.0          
assi (resi  4 and name HA   ) (resi  5 and name HN    ) 4.0 2.2 1.0          
assi (resi  4 and name HB#  ) (resi  5 and name HN    ) 4.0 2.2 2.0          
                                                                      
!! residue 5 GLU                                                             
assi (resi  5 and name HN   ) (resi  6 and name HN    ) 4.0 2.2 1.0          
                                                                     
!! residue 6 GLU                                                             
assi (resi  6 and name HA   ) (resi  7 and name HN    ) 4.0 2.2 1.0          
                                                                      
!! residue 7 GLN                                                             
assi (resi  7 and name HN   ) (resi  8 and name HN    ) 4.0 2.2 1.0          
assi (resi  7 and name HA   ) (resi  8 and name HN    ) 3.0 1.2 0.3          
assi (resi  7 and name HB#  ) (resi  8 and name HN    ) 4.0 2.2 2.0          
                                                                      
                                                                      
!! residue 9 ASN                                                          
assi (resi  9 and name HN   ) (resi 10 and name HN    ) 4.0 2.2 1.0          
assi (resi  9 and name HA   ) (resi 10 and name HN    ) 4.0 2.2 1.0          
assi (resi  9 and name HB#  ) (resi 10 and name HN    ) 4.0 2.2 2.0          
                                                                      
!! residue 10 ASP                                                            
assi (resi 10 and name HN   ) (resi 11 and name HN    ) 4.0 2.2 1.0          
assi (resi 10 and name HA   ) (resi 11 and name HN    ) 3.0 1.2 0.3          
assi (resi 10 and name HB#  ) (resi 11 and name HN    ) 4.0 2.2 2.0          
                                                                       
!! residue 11 ALA                                                     
assi (resi 11 and name HN   ) (resi 12 and name HN    ) 5.0 2.5 1.0          
assi (resi 11 and name HB#  ) (resi 12 and name HN    ) 3.0 1.2 1.8          
assi (resi 11 and name HA   ) (resi 12 and name HN    ) 4.0 2.2 1.0          
                                                                      
!! residue 12 LEU                                                  
assi (resi 12 and name HA   ) (resi 13 and name HN    ) 2.5 0.7 0.3          
assi (resi 12 and name HB#  ) (resi 13 and name HN    ) 4.0 2.2 2.0          
assi (resi 12 and name HD*  ) (resi 13 and name HN    ) 3.0 1.2 2.7          
                                                                       
!! residue 13 SER                                                     
assi (resi 13 and name HN   ) (resi 14 and name HD1   ) 3.5 1.0 20.0          
assi (resi 13 and name HN   ) (resi 14 and name HD2   ) 3.5 1.0 20.0          
assi (resi 13 and name HA   ) (resi 14 and name HB1   ) 5.0 2.5 1.0          
assi (resi 13 and name HA   ) (resi 14 and name HG#   ) 4.0 2.2 2.0          
assi (resi 13 and name HA   ) (resi 14 and name HD#   ) 3.0 1.2 1.3          
assi (resi 13 and name HB#  ) (resi 14 and name HD#   ) 3.0 1.2 2.3          
                                                                      
!! residue 14 PRO                                                         
assi (resi 14 and name HA   ) (resi 15 and name HN    ) 4.0 2.2 1.0          
assi (resi 14 and name HB1  ) (resi 15 and name HN    ) 4.0 2.2 1.0          
assi (resi 14 and name HB2  ) (resi 15 and name HN    ) 4.0 2.2 1.0          
assi (resi 14 and name HG#  ) (resi 15 and name HN    ) 5.0 2.5 2.0          
assi (resi 14 and name HD#  ) (resi 15 and name HN    ) 4.0 2.2 2.0          
                                                                      
!! residue 15 ALA                                                     
assi (resi 15 and name HN   ) (resi 16 and name HN    ) 2.5 0.7 0.3          
assi (resi 15 and name HA   ) (resi 16 and name HN    ) 4.0 2.2 1.0          
assi (resi 15 and name HB#  ) (resi 16 and name HN    ) 4.0 2.2 2.5          
                                                                       
!! residue 16 ILE                                                        
assi (resi 16 and name HN   ) (resi 17 and name HN    ) 2.5 0.7 0.3          
assi (resi 16 and name HA   ) (resi 17 and name HN    ) 4.0 2.2 1.0          
assi (resi 16 and name HB   ) (resi 17 and name HN    ) 4.0 2.2 1.0          
assi (resi 16 and name HG2# ) (resi 17 and name HN    ) 4.0 2.2 2.5          
assi (resi 16 and name HG2# ) (resi 17 and name HA    ) 4.0 2.2 2.5          
assi (resi 16 and name HG2# ) (resi 17 and name HE    ) 5.0 2.5 2.5          
                                                                      
!! residue 17 ARG                                                               
assi (resi 17 and name HN   ) (resi 18 and name HN    ) 2.5 0.7 0.3          
assi (resi 17 and name HA   ) (resi 18 and name HN    ) 4.0 2.2 1.0          
                                                                      
!! residue 18 ARG                                                               
assi (resi 18 and name HN   ) (resi 19 and name HN    ) 2.5 0.7 0.3          
assi (resi 18 and name HA   ) (resi 19 and name HN    ) 4.0 2.2 1.0          
assi (resi 18 and name HB2  ) (resi 19 and name HN    ) 4.0 2.2 1.0          
                                                                      
!! residue 19 LEU                                                  
assi (resi 19 and name HN   ) (resi 20 and name HN    ) 2.5 0.7 0.3          
assi (resi 19 and name HA   ) (resi 20 and name HN    ) 4.0 2.2 1.0          
assi (resi 19 and name HD1# ) (resi 20 and name HN    ) 5.0 2.5 2.5          
                                                                      
!! residue 20 LEU                                                  
assi (resi 20 and name HN   ) (resi 21 and name HN    ) 3.0 1.2 0.3          
assi (resi 20 and name HB#  ) (resi 21 and name HN    ) 3.0 1.2 1.8          
assi (resi 20 and name HA   ) (resi 21 and name HN    ) 4.0 2.2 1.0          
                                                                      
!! residue 21 ALA                                                     
assi (resi 21 and name HN   ) (resi 22 and name HN    ) 2.5 0.7 0.3          
assi (resi 21 and name HB#  ) (resi 22 and name HN    ) 3.0 1.2 1.8          
assi (resi 21 and name HB#  ) (resi 22 and name HA    ) 4.0 2.2 2.5          
                                                                      
!! residue 22 GLU                                                             
assi (resi 22 and name HN   ) (resi 23 and name HN    ) 3.0 1.2 0.3          
assi (resi 22 and name HN   ) (resi 23 and name HD2   ) 5.0 2.5 1.0          
assi (resi 22 and name HA   ) (resi 23 and name HN    ) 4.0 2.2 1.0          
assi (resi 22 and name HB1  ) (resi 23 and name HN    ) 5.0 2.5 1.0          
assi (resi 22 and name HB1  ) (resi 23 and name HD2   ) 4.0 2.2 1.0          
assi (resi 22 and name HB2  ) (resi 23 and name HD2   ) 5.0 2.5 1.0          
assi (resi 22 and name HG#  ) (resi 23 and name HD2   ) 5.0 2.5 2.0          
assi (resi 22 and name HB1  ) (resi 23 and name HE1   ) 5.0 2.5 1.0          
assi (resi 22 and name HB2  ) (resi 23 and name HE1   ) 5.0 2.5 1.0          
                                                                      
!! residue 23 HIS                                                   
assi (resi 23 and name HN   ) (resi 24 and name HN    ) 3.0 1.2 0.3          
assi (resi 23 and name HN   ) (resi 24 and name HD2#  ) 5.0 2.5 2.0          
assi (resi 23 and name HA   ) (resi 24 and name HN    ) 4.0 2.2 1.0          
assi (resi 23 and name HD2  ) (resi 24 and name HN    ) 5.0 2.5 1.0          
                                                                       
!! residue 24 ASN                                                          
assi (resi 24 and name HN   ) (resi 25 and name HN    ) 4.0 2.2 1.0          
assi (resi 24 and name HA   ) (resi 25 and name HN    ) 2.5 0.7 0.3          
                                                                      
!! residue 25 LEU                                                  
assi (resi 25 and name HA   ) (resi 26 and name HN    ) 2.5 0.7 0.3          
assi (resi 25 and name HB1  ) (resi 26 and name HN    ) 4.0 2.2 1.0          
assi (resi 25 and name HB2  ) (resi 26 and name HN    ) 4.0 2.2 1.0          
assi (resi 25 and name HD2# ) (resi 26 and name HN    ) 4.0 2.2 2.5          
                                                                      
!! residue 26 ASP                                                            
assi (resi 26 and name HN   ) (resi 27 and name HN    ) 5.0 2.5 1.0          
assi (resi 26 and name HA   ) (resi 27 and name HN    ) 2.5 0.7 0.3          
assi (resi 26 and name HB1  ) (resi 27 and name HN    ) 5.0 2.5 1.0          
assi (resi 26 and name HB2  ) (resi 27 and name HN    ) 5.0 2.5 1.0          
                                                                      
!! residue 27 ALA                                                     
assi (resi 27 and name HN   ) (resi 28 and name HN    ) 3.0 1.2 0.3          
assi (resi 27 and name HA   ) (resi 28 and name HN    ) 4.0 2.2 1.0          
assi (resi 27 and name HB#  ) (resi 28 and name HN    ) 3.0 1.2 1.8          
                                                                      
!! residue 28 SER                                                     
assi (resi 28 and name HN   ) (resi 29 and name HN    ) 2.5 0.7 0.3          
assi (resi 28 and name HA   ) (resi 29 and name HN    ) 4.0 2.2 1.0          
assi (resi 28 and name HB#  ) (resi 29 and name HN    ) 5.0 2.5 2.0          
                                                                      
!! residue 29 ALA                                                     
assi (resi 29 and name HN   ) (resi 30 and name HN    ) 3.0 1.2 0.3          
assi (resi 29 and name HA   ) (resi 30 and name HN    ) 4.0 2.2 1.0          
assi (resi 29 and name HB#  ) (resi 30 and name HN    ) 4.0 2.2 2.5          
assi (resi 29 and name HB#  ) (resi 30 and name HG11  ) 4.0 2.2 2.5          
assi (resi 29 and name HB#  ) (resi 30 and name HG12  ) 4.0 2.2 2.5          
assi (resi 29 and name HB#  ) (resi 30 and name HD#   ) 5.0 2.5 4.0          
                                                                      
!! residue 30 ILE                                                          
assi (resi 30 and name HN   ) (resi 31 and name HN    ) 4.0 2.2 1.0          
assi (resi 30 and name HA   ) (resi 31 and name HN    ) 2.5 0.7 0.3          
assi (resi 30 and name HG2# ) (resi 31 and name HN    ) 3.0 1.2 1.8          
                                                                                
!! residue 31 LYS                                                         
assi (resi 31 and name HA   ) (resi 32 and name HN    ) 2.5 0.7 0.3          
                                                                                
!! residue 32 GLY                                                      
assi (resi 32 and name HN   ) (resi 33 and name HN    ) 3.5 1.0 20.0          
assi (resi 32 and name HA1  ) (resi 33 and name HN    ) 4.0 2.2 1.0          
assi (resi 32 and name HA2  ) (resi 33 and name HN    ) 4.0 2.2 1.0          
                                                                      
!! residue 33 THR                                                         
assi (resi 33 and name HN   ) (resi 34 and name HN    ) 4.0 2.2 1.0          
assi (resi 33 and name HA   ) (resi 34 and name HN    ) 4.0 2.2 1.0          
assi (resi 33 and name HB   ) (resi 34 and name HN    ) 5.0 2.5 1.0          
assi (resi 33 and name HG2# ) (resi 34 and name HN    ) 4.0 2.2 2.5          
                                                                      
!! residue 34 GLY                                                      
assi (resi 34 and name HN   ) (resi 35 and name HN    ) 5.0 2.5 1.0          
assi (resi 34 and name HA1  ) (resi 35 and name HN    ) 2.5 0.7 0.3          
assi (resi 34 and name HA2  ) (resi 35 and name HN    ) 2.5 0.7 0.3          
                                                                             
!! residue 35 VAL                                                     
assi (resi 35 and name HN   ) (resi 36 and name HN    ) 5.0 2.5 1.0     
assi (resi 35 and name HG1# ) (resi 36 and name HN    ) 3.0 1.2 1.8     
assi (resi 35 and name HG2# ) (resi 36 and name HN    ) 4.0 2.2 2.5     
                                                                      
!! residue 36 GLY                                                      
assi (resi 36 and name HN   ) (resi 37 and name HN    ) 3.0 1.2 0.3          
assi (resi 36 and name HA1  ) (resi 37 and name HN    ) 4.0 2.2 1.0          
assi (resi 36 and name HA2  ) (resi 37 and name HN    ) 4.0 2.2 1.0          
                                                                      
!! residue 37 GLY                                                      
assi (resi 37 and name HN   ) (resi 38 and name HN    ) 3.0 1.2 0.3          
                                                                      
!! residue 38 ARG                                                               
assi (resi 38 and name HN   ) (resi 39 and name HN    ) 5.0 2.5 1.0          
assi (resi 38 and name HA   ) (resi 39 and name HN    ) 2.5 0.7 0.3          
assi (resi 38 and name HA   ) (resi 39 and name HA    ) 5.0 2.5 1.0          
                                                                      
!! residue 39 LEU                                                      
assi (resi 39 and name HN   ) (resi 40 and name HN    ) 5.0 2.5 1.0          
assi (resi 39 and name HA   ) (resi 40 and name HN    ) 2.5 0.7 0.3          
assi (resi 39 and name HA   ) (resi 40 and name HG2#  ) 4.0 2.2 2.5          
assi (resi 39 and name HB#  ) (resi 40 and name HN    ) 5.0 2.5 2.0          
assi (resi 39 and name HD1# ) (resi 40 and name HN    ) 5.0 2.5 2.5          
assi (resi 39 and name HD2# ) (resi 40 and name HN    ) 5.0 2.5 2.5          
                                                                      
!! residue 40 THR                                                         
assi (resi 40 and name HA   ) (resi 41 and name HN    ) 3.0 1.2 0.3          
assi (resi 40 and name HA   ) (resi 41 and name HA    ) 5.0 2.5 1.0          
assi (resi 40 and name HB   ) (resi 41 and name HN    ) 3.0 1.2 0.3          
assi (resi 40 and name HB   ) (resi 41 and name HA    ) 5.0 2.5 1.0          
assi (resi 40 and name HG2# ) (resi 41 and name HN    ) 4.0 2.2 2.5          
                                                                      
!! residue 41 ARG                                                               
assi (resi 41 and name HN   ) (resi 42 and name HN    ) 3.0 1.2 0.3          
assi (resi 41 and name HA   ) (resi 42 and name HN    ) 4.0 2.2 1.0          
assi (resi 41 and name HB1  ) (resi 42 and name HN    ) 4.0 2.2 1.0          
assi (resi 41 and name HG#  ) (resi 42 and name HN    ) 5.0 2.5 2.0          
                                                                      
!! residue 42 GLU                                                             
assi (resi 42 and name HN   ) (resi 43 and name HN    ) 3.0 1.2 0.3          
assi (resi 42 and name HA   ) (resi 43 and name HN    ) 4.0 2.2 1.0          
assi (resi 42 and name HB1  ) (resi 43 and name HN    ) 4.0 2.2 1.0          
assi (resi 42 and name HB2  ) (resi 43 and name HN    ) 4.0 2.2 1.0          
                                                                      
!! residue 43 ASP                                                            
assi (resi 43 and name HN   ) (resi 44 and name HN    ) 3.0 1.2 0.3          
assi (resi 43 and name HA   ) (resi 44 and name HN    ) 4.0 2.2 1.0          
assi (resi 43 and name HB2  ) (resi 44 and name HN    ) 3.0 1.2 0.3          
assi (resi 43 and name HB1  ) (resi 44 and name HN    ) 4.0 2.2 1.0          
assi (resi 43 and name HB1  ) (resi 44 and name HA    ) 5.0 2.5 1.0          
assi (resi 43 and name HB1  ) (resi 44 and name HG2#  ) 4.0 2.2 2.5          
assi (resi 43 and name HB2  ) (resi 44 and name HG2#  ) 4.0 2.2 2.5          
                                                                      
!! residue 44 VAL                                                     
assi (resi 44 and name HN   ) (resi 45 and name HN    ) 2.5 0.7 0.3          
assi (resi 44 and name HA   ) (resi 45 and name HN    ) 4.0 2.2 1.0          
assi (resi 44 and name HB   ) (resi 45 and name HN    ) 3.0 1.2 0.3          
assi (resi 44 and name HG1# ) (resi 45 and name HN    ) 4.0 2.2 2.5          
assi (resi 44 and name HG2# ) (resi 45 and name HN    ) 4.0 2.2 2.5          
                                                                      
!! residue 45 GLU                                                             
assi (resi 45 and name HN   ) (resi 46 and name HN    ) 3.0 1.2 0.3          
assi (resi 45 and name HA   ) (resi 46 and name HN    ) 4.0 2.2 1.0          
assi (resi 45 and name HB1  ) (resi 46 and name HN    ) 4.0 2.2 1.0          
assi (resi 45 and name HB2  ) (resi 46 and name HN    ) 4.0 2.2 1.0          
                                                                      
!! residue 46 LYS                                                         
assi (resi 46 and name HN   ) (resi 47 and name HN    ) 3.0 1.2 0.3          
assi (resi 46 and name HA   ) (resi 47 and name HN    ) 4.0 2.2 1.0          
assi (resi 46 and name HB#  ) (resi 47 and name HN    ) 4.0 2.2 2.0          
                                                                      
!! residue 47 HIS                                                   
assi (resi 47 and name HN   ) (resi 48 and name HN    ) 3.0 1.2 0.3          
assi (resi 47 and name HA   ) (resi 48 and name HN    ) 4.0 2.2 1.0          
assi (resi 47 and name HB1  ) (resi 48 and name HN    ) 4.0 2.2 1.0          
assi (resi 47 and name HB2  ) (resi 48 and name HN    ) 4.0 2.2 1.0          
assi (resi 47 and name HD2  ) (resi 48 and name HA    ) 5.0 2.5 1.0          
                                                                      
!! residue 48 LEU                                                  
assi (resi 48 and name HN   ) (resi 49 and name HN    ) 4.0 2.2 1.0          
assi (resi 48 and name HB2  ) (resi 49 and name HN    ) 4.0 2.2 1.0          
assi (resi 48 and name HA   ) (resi 49 and name HN    ) 4.0 2.2 1.0          
                                                                      
!! residue 49 ALA                                                     
assi (resi 49 and name HB#  ) (resi 50 and name HN    ) 4.0 2.2 2.5          
                                                                       
!! residue 50 LYS                                                         
assi (resi 50 and name HA   ) (resi 51 and name HN    ) 4.0 2.2 1.0          
                                                                      


B. Torsion angle restraints

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


!remark phi angle constraints

!! a2
assign (resid  1 and name c )(resid  2 and name n )
       (resid  2 and name ca)(resid  2 and name c ) 1.0 -90.0 80.0 2
!! s3
assign (resid  2 and name c )(resid  3 and name n )
       (resid  3 and name ca)(resid  3 and name c ) 1.0 -90.0 80.0 2
!! l4
assign (resid  3 and name c )(resid  4 and name n )
       (resid  4 and name ca)(resid  4 and name c ) 1.0 -90.0 80.0 2
!! e5
assign (resid  4 and name c )(resid  5 and name n )
       (resid  5 and name ca)(resid  5 and name c ) 1.0 -90.0 80.0 2
!! e6
assign (resid  5 and name c )(resid  6 and name n )
       (resid  6 and name ca)(resid  6 and name c ) 1.0 -90.0 80.0 2
!! q7
assign (resid  6 and name c )(resid  7 and name n )
       (resid  7 and name ca)(resid  7 and name c ) 1.0 -90.0 80.0 2
!! d10
assign (resid  9 and name c )(resid 10 and name n )
       (resid 10 and name ca)(resid 10 and name c ) 1.0 -115.0 70.0 2
!! a11
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 65.0 2
!! l12
assign (resi  11 and name c )(resi  12 and name n )
       (resi  12 and name ca)(resi  12 and name c ) 1.0 -85.0 55.0 2
!! s13
assign (resid 12 and name c )(resid 13 and name n )
       (resid 13 and name ca)(resid 13 and name c ) 1.0 -110.0 45.0 2
!! p14
assign (resid 13 and name c )(resid 14 and name n )
       (resid 14 and name ca)(resid 14 and name c ) 1.0 -60.0 20.0 2
!! a15
assign (resid 14 and name c )(resid 15 and name n )
       (resid 15 and name ca)(resid 15 and name c ) 1.0 -80.0 35.0 2
!! i16
assign (resid 15 and name c )(resid 16 and name n )
       (resid 16 and name ca)(resid 16 and name c ) 1.0 -65.0 30.0 2
!! r17
assign (resid 16 and name c )(resid 17 and name n )
       (resid 17 and name ca)(resid 17 and name c ) 1.0 -80.0 30.0 2
!! r18
assign (resid 17 and name c )(resid 18 and name n )
       (resid 18 and name ca)(resid 18 and name c ) 1.0 -80.0 30.0 2
!! l19
assign (resid 18 and name c )(resid 19 and name n )
       (resid 19 and name ca)(resid 19 and name c ) 1.0 -75.0 30.0 2
!! l20
assign (resid 19 and name c )(resid 20 and name n )
       (resid 20 and name ca)(resid 20 and name c ) 1.0 -65.0 30.0 2
!! a21
assign (resid 20 and name c )(resid 21 and name n )
       (resid 21 and name ca)(resid 21 and name c ) 1.0 -80.0 30.0 2
!! e22
assign (resid 21 and name c )(resid 22 and name n )
       (resid 22 and name ca)(resid 22 and name c ) 1.0 -75.0 30.0 2
!! h23
assign (resid 22 and name c )(resid 23 and name n )
       (resid 23 and name ca)(resid 23 and name c ) 1.0 -105.0 30.0 2
!! n24
assign (resid 23 and name c )(resid 24 and name n )
       (resid 24 and name ca)(resid 24 and name c ) 1.0  55.0 30.0 2
!! l25
assign (resid 24 and name c )(resid 25 and name n )
       (resid 25 and name ca)(resid 25 and name c ) 1.0 -120.0 30.0 2
!! d26
assign (resid 25 and name c )(resid 26 and name n )
       (resid 26 and name ca)(resid 26 and name c ) 1.0 -85.0 30.0 2
!! a27
assign (resid 26 and name c )(resid 27 and name n )
       (resid 27 and name ca)(resid 27 and name c ) 1.0 -65.0 30.0 2
!! s28
assign (resid 27 and name c )(resid 28 and name n )
       (resid 28 and name ca)(resid 28 and name c ) 1.0 -55.0 30.0 2
!! a29
assign (resid 28 and name c )(resid 29 and name n )
       (resid 29 and name ca)(resid 29 and name c ) 1.0 -85.0 30.0 2
!! i30
assign (resid 29 and name c )(resid 30 and name n )
       (resid 30 and name ca)(resid 30 and name c ) 1.0 -85.0 30.0 2
!! k31
assign (resid 30 and name c )(resid 31 and name n )
       (resid 31 and name ca)(resid 31 and name c ) 1.0 -105.0 40.0 2
!! g32
assign (resid 31 and name c )(resid 32 and name n )
       (resid 32 and name ca)(resid 32 and name c ) 1.0 -85.0 70.0 2
!! t33
assign (resid 32 and name c )(resid 33 and name n )
       (resid 33 and name ca)(resid 33 and name c ) 1.0 -105.0 55.0 2
!! v35
assign (resid 34 and name c )(resid 35 and name n )
       (resid 35 and name ca)(resid 35 and name c ) 1.0 -75.0 45.0 2
!! g37
assign (resid 36 and name c )(resid 37 and name n )
       (resid 37 and name ca)(resid 37 and name c ) 1.0 90.0 85.0 2
!! r38
assign (resid 37 and name c )(resid 38 and name n )
       (resid 38 and name ca)(resid 38 and name c ) 1.0 -90.0 55.0 2
!! l39
assign (resid 38 and name c )(resid 39 and name n )
       (resid 39 and name ca)(resid 39 and name c ) 1.0 -80.0 30.0 2
!! t40
assign (resid 39 and name c )(resid 40 and name n )
       (resid 40 and name ca)(resid 40 and name c ) 1.0 -110.0 40.0 2
!! r41
assign (resid 40 and name c )(resid 41 and name n )
       (resid 41 and name ca)(resid 41 and name c ) 1.0 -95.0 30.0 2
!! e42
assign (resid 41 and name c )(resid 42 and name n )
       (resid 42 and name ca)(resid 42 and name c ) 1.0 -80.0 30.0 2
!! d43
assign (resid 42 and name c )(resid 43 and name n )
       (resid 43 and name ca)(resid 43 and name c ) 1.0 -100.0 30.0 2
!! v44
assign (resid 43 and name c )(resid 44 and name n )
       (resid 44 and name ca)(resid 44 and name c ) 1.0 -75.0 30.0 2
!! e45
assign (resid 44 and name c )(resid 45 and name n )
       (resid 45 and name ca)(resid 45 and name c ) 1.0 -60.0 30.0 2
!! k46
assign (resid 45 and name c )(resid 46 and name n )
       (resid 46 and name ca)(resid 46 and name c ) 1.0 -65.0 30.0 2
!! h47
assign (resid 46 and name c )(resid 47 and name n )
       (resid 47 and name ca)(resid 47 and name c ) 1.0 -110.0 45.0 2
!! l48
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
!! a49
assign (resid 48 and name c )(resid 49 and name n )
       (resid 49 and name ca)(resid 49 and name c ) 1.0 -110.0 70.0 2
!! k50
assign (resid 49 and name c )(resid 50 and name n )
       (resid 50 and name ca)(resid 50 and name c ) 1.0 -90.0 80.0 2
!! a51
assign (resid 50 and name c )(resid 51 and name n )
       (resid 51 and name ca)(resid 51 and name c ) 1.0 -90.0 80.0 2


! Remark psi dihedral angle restraints
!! l12 
assign (resid 12 and name n )(resid 12 and name ca)
       (resid 12 and name c )(resid 13 and name n ) 1.0 -170.0 50.0 2
!! s13 
assign (resid 13 and name n )(resid 13 and name ca)
       (resid 13 and name c )(resid 14 and name n ) 1.0 140.0 50.0 2
!! p14
assign (resid 14 and name n )(resid 14 and name ca)
       (resid 14 and name c )(resid 15 and name n ) 1.0 -5.0 50.0 2
!! a15
assign (resid 15 and name n )(resid 15 and name ca)
       (resid 15 and name c )(resid 16 and name n ) 1.0 -15.0 50.0 2
!! i16
assign (resid 16 and name n )(resid 16 and name ca)
       (resid 16 and name c )(resid 17 and name n ) 1.0 -20.0 50.0 2
!! r17
assign (resid 17 and name n )(resid 17 and name ca)
       (resid 17 and name c )(resid 18 and name n ) 1.0 -40.0 50.0 2
!! r18
assign (resid 18 and name n )(resid 18 and name ca)
       (resid 18 and name c )(resid 19 and name n ) 1.0 -5.0 50.0 2
!! l19
assign (resid 19 and name n )(resid 19 and name ca)
       (resid 19 and name c )(resid 20 and name n ) 1.0 -35.0 50.0 2
!!l20
assign (resid 20 and name n )(resid 20 and name ca)
       (resid 20 and name c )(resid 21 and name n ) 1.0 -30.0 50.0 2
!! a21
assign (resid 21 and name n )(resid 21 and name ca)
       (resid 21 and name c )(resid 22 and name n ) 1.0 -30.0 50.0 2
!! e22
assign (resid 22 and name n )(resid 22 and name ca)
       (resid 22 and name c )(resid 23 and name n ) 1.0 -30.0 50.0 2
!! h23
assign (resid 23 and name n )(resid 23 and name ca)
       (resid 23 and name c )(resid 24 and name n ) 1.0 -10.0 50.0 2
!! n24
assign (resid 24 and name n )(resid 24 and name ca)
       (resid 24 and name c )(resid 25 and name n ) 1.0 70.0 50.0 2
!! l25
assign (resid 25 and name n )(resid 25 and name ca)
       (resid 25 and name c )(resid 26 and name n ) 1.0 130.0 50.0 2
!! d26
assign (resid 26 and name n )(resid 26 and name ca)
       (resid 26 and name c )(resid 27 and name n ) 1.0 120.0 50.0 2
!! a27
assign (resid 27 and name n )(resid 27 and name ca)
       (resid 27 and name c )(resid 28 and name n ) 1.0 -10.0 50.0 2
!! s28
assign (resid 28 and name n )(resid 28 and name ca)
       (resid 28 and name c )(resid 29 and name n ) 1.0 -30.0 50.0 2
!! a29
assign (resid 29 and name n )(resid 29 and name ca)
       (resid 29 and name c )(resid 30 and name n ) 1.0 -25.0 50.0 2
!! i30
assign (resid 30 and name n )(resid 30 and name ca)
       (resid 30 and name c )(resid 31 and name n ) 1.0 135.0 50.0 2
!! k31
assign (resid 31 and name n )(resid 31 and name ca)
       (resid 31 and name c )(resid 32 and name n ) 1.0 110.0 145.0 2
!! g32
assign (resid 32 and name n )(resid 32 and name ca)
       (resid 32 and name c )(resid 33 and name n ) 1.0 90.0 85.0 2
!! t33
assign (resid 33 and name n )(resid 33 and name ca)
       (resid 33 and name c )(resid 34 and name n ) 1.0 -5.0 90.0 2
!! g34
assign (resid 34 and name n )(resid 34 and name ca)
       (resid 34 and name c )(resid 35 and name n ) 1.0 180.0 50.0 2
!! v35
assign (resid 35 and name n )(resid 35 and name ca)
       (resid 35 and name c )(resid 36 and name n ) 1.0 60.0 95.0 2
!! g37
assign (resid 37 and name n )(resid 37 and name ca)
       (resid 37 and name c )(resid 38 and name n ) 1.0 0.0 65.0 2
!! r38
assign (resid 38 and name n )(resid 38 and name ca)
       (resid 38 and name c )(resid 39 and name n ) 1.0 140.0 55.0 2
!! l39
assign (resid 39 and name n )(resid 39 and name ca)
       (resid 39 and name c )(resid 40 and name n ) 1.0 125.0 50.0 2
!! t40
assign (resid 40 and name n )(resid 40 and name ca)
       (resid 40 and name c )(resid 41 and name n ) 1.0 -160.0 50.0 2
!! r41
assign (resid 41 and name n )(resid 41 and name ca)
       (resid 41 and name c )(resid 42 and name n ) 1.0 -30.0 50.0 2
!! e42
assign (resid 42 and name n )(resid 42 and name ca)
       (resid 42 and name c )(resid 43 and name n ) 1.0 -5.0 50.0 2
!! d43
assign (resid 43 and name n )(resid 43 and name ca)
       (resid 43 and name c )(resid 44 and name n ) 1.0 -40.0 50.0 2
!! v44
assign (resid 44 and name n )(resid 44 and name ca)
       (resid 44 and name c )(resid 45 and name n ) 1.0 -30.0 50.0 2
!! e45
assign (resid 45 and name n )(resid 45 and name ca)
       (resid 45 and name c )(resid 46 and name n ) 1.0 -45.0 50.0 2
!! k46
assign (resid 46 and name n )(resid 46 and name ca)
       (resid 46 and name c )(resid 47 and name n ) 1.0 0.0 50.0 2
!! h47
assign (resid 47 and name n )(resid 47 and name ca)
       (resid 47 and name c )(resid 48 and name n ) 1.0 -30.0 50.0 2


!Remark chi1 torsion angle restraints
!! l12
assign (resid 12 and name n )(resid 12 and name ca)
       (resid 12 and name cb)(resid 12 and name cg) 1.0 -60.0 45.0 2
!! p14
assign (resid 14 and name n )(resid 14 and name ca)
       (resid 14 and name cb)(resid 14 and name cg) 1.0 0.0 25.0 2
!! i16
assign (resid 16 and name n )(resid 16 and name ca)
       (resid 16 and name cb)(resid 16 and name cg1) 1.0 180.0 30.0 2
!! r17
assign (resid 17 and name n )(resid 17 and name ca)
       (resid 17 and name cb)(resid 17 and name cg) 1.0 -60.0 30.0 2
!! r18
assign (resid 18 and name n )(resid 18 and name ca)
       (resid 18 and name cb)(resid 18 and name cg) 1.0 -60.0 30.0 2
!! l19
assign (resid 19 and name n )(resid 19 and name ca)
       (resid 19 and name cb)(resid 19 and name cg) 1.0 180.0 30.0 2
!! l20
assign (resid 20 and name n )(resid 20 and name ca)
       (resid 20 and name cb)(resid 20 and name cg) 1.0 -60.0 30.0 2
!! e22
assign (resid 22 and name n )(resid 22 and name ca)
       (resid 22 and name cb)(resid 22 and name cg) 1.0 180.0 30.0 2
!! h23
assign (resid 23 and name n )(resid 23 and name ca)
       (resid 23 and name cb)(resid 23 and name cg) 1.0 -60.0 30.0 2
!! l25
assign (resid 25 and name n )(resid 25 and name ca)
       (resid 25 and name cb)(resid 25 and name cg) 1.0 -60.0 30.0 2
!! i30
assign (resid 30 and name n )(resid 30 and name ca)
       (resid 30 and name cb)(resid 30 and name cg1) 1.0 -60.0 30.0 2
!! t33
assign (resid 33 and name n )(resid 33 and name ca)
       (resid 33 and name cb)(resid 33 and name og1) 1.0 60.0 30.0 2
!! v35
assign (resid 35 and name n )(resid 35 and name ca)
       (resid 35 and name cb)(resid 35 and name cg1) 1.0 180.0 30.0 2
!! l39
assign (resid 39 and name n )(resid 39 and name ca)
       (resid 39 and name cb)(resid 39 and name cg) 1.0 180.0 30.0 2
!! t40
assign (resid 40 and name n )(resid 40 and name ca)
       (resid 40 and name cb)(resid 40 and name og1) 1.0 60.0 30.0 2
!! r41
assign (resid 41 and name n )(resid 41 and name ca)
       (resid 41 and name cb)(resid 41 and name cg) 1.0 180.0 30.0 2
!! d43
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 30.0 2
!! v44
assign (resid 44 and name n )(resid 44 and name ca)
       (resid 44 and name cb)(resid 44 and name cg1) 1.0 180.0 30.0 2
!! h47
assign (resid 47 and name n )(resid 47 and name ca)
       (resid 47 and name cb)(resid 47 and name cg) 1.0 180.0 30.0 2
!! l48
assign (resid 48 and name n )(resid 48 and name ca)
       (resid 48 and name cb)(resid 48 and name cg) 1.0 -60.0 30.0 2

  Entry H atom name         Orig H atom name
 Raw file had 398 H/Q atoms
  Start of MODEL    1
    1    OH   TYR   1           OH       TYR   1  21.948   0.012  11.836
    2   1H    TYR   1           HT1      TYR   1  21.142  -3.296   7.652
    3   2H    TYR   1           HT3      TYR   1  20.117  -1.956   7.849
    4   3H    TYR   1           HT2      TYR   1  19.575  -3.321   6.998
    5    HA   TYR   1           HA       TYR   1  20.090  -1.902   5.289
    6   1HB   TYR   1           HB2      TYR   1  22.717  -0.962   5.829
    7   2HB   TYR   1           HB1      TYR   1  21.233  -0.017   5.744
    8    HD1  TYR   1           HD1      TYR   1  23.176  -2.198   8.080
    9    HD2  TYR   1           HD2      TYR   1  20.391   0.996   7.700
   10    HE1  TYR   1           HE1      TYR   1  23.277  -1.821  10.500
   11    HE2  TYR   1           HE2      TYR   1  20.492   1.371  10.120
   12    HH   TYR   1           HH       TYR   1  21.880  -0.841  12.271
   13    H    ALA   2           HN       ALA   2  22.111  -1.902   3.719
   14    HA   ALA   2           HA       ALA   2  23.651  -4.426   4.027
   15   1HB   ALA   2           HB3      ALA   2  21.922  -3.753   1.631
   16   2HB   ALA   2           HB2      ALA   2  23.048  -5.104   1.711
   17   3HB   ALA   2           HB1      ALA   2  21.646  -5.063   2.775
   18    H    SER   3           HN       SER   3  23.783  -1.263   3.580
   19    HA   SER   3           HA       SER   3  26.353  -1.433   2.141
   20   1HB   SER   3           HB2      SER   3  24.574   0.724   1.122
   21   2HB   SER   3           HB1      SER   3  25.747  -0.280   0.248
   22    HG   SER   3           HG1      SER   3  23.376  -0.729  -0.024
   23    H    LEU   4           HN       LEU   4  26.466   1.419   1.698
   24    HA   LEU   4           HA       LEU   4  26.967   2.239   4.505
   25   1HB   LEU   4           HB2      LEU   4  27.697   3.824   2.048
   26   2HB   LEU   4           HB1      LEU   4  28.457   3.854   3.635
   27    HG   LEU   4           HG       LEU   4  28.531   1.575   1.629
   28   1HD1  LEU   4          HD11      LEU   4  30.063   3.667   1.433
   29   2HD1  LEU   4          HD13      LEU   4  30.854   3.049   2.879
   30   3HD1  LEU   4          HD12      LEU   4  30.835   2.084   1.406
   31   1HD2  LEU   4          HD22      LEU   4  29.302   1.756   4.541
   32   2HD2  LEU   4          HD21      LEU   4  28.425   0.473   3.714
   33   3HD2  LEU   4          HD23      LEU   4  30.157   0.660   3.460
   34    H    GLU   5           HN       GLU   5  25.136   3.206   1.656
   35    HA   GLU   5           HA       GLU   5  23.934   5.462   3.166
   36   1HB   GLU   5           HB2      GLU   5  24.730   5.698   0.762
   37   2HB   GLU   5           HB1      GLU   5  23.384   4.662   0.304
   38   1HG   GLU   5           HG2      GLU   5  22.139   6.490   1.941
   39   2HG   GLU   5           HG1      GLU   5  23.370   7.486   1.167
   40    H    GLU   6           HN       GLU   6  23.187   2.296   1.939
   41    HA   GLU   6           HA       GLU   6  20.419   2.240   1.818
   42   1HB   GLU   6           HB2      GLU   6  22.459   0.329   2.081
   43   2HB   GLU   6           HB1      GLU   6  21.337  -0.010   3.394
   44   1HG   GLU   6           HG2      GLU   6  20.574  -1.233   1.443
   45   2HG   GLU   6           HG1      GLU   6  19.455   0.102   1.702
   46    H    GLN   7           HN       GLN   7  18.756   2.465   3.210
   47    HA   GLN   7           HA       GLN   7  19.424   3.164   6.015
   48   1HB   GLN   7           HB2      GLN   7  16.824   3.691   5.927
   49   2HB   GLN   7           HB1      GLN   7  17.992   4.804   5.226
   50   1HG   GLN   7           HG2      GLN   7  16.047   4.236   3.701
   51   2HG   GLN   7           HG1      GLN   7  17.631   3.895   3.009
   52   1HE2  GLN   7          HE22      GLN   7  15.093   0.821   3.908
   53   2HE2  GLN   7          HE21      GLN   7  14.743   2.401   4.421
   54    H    ASN   8           HN       ASN   8  17.266   2.521   7.434
   55    HA   ASN   8           HA       ASN   8  17.478  -0.387   7.642
   56   1HB   ASN   8           HB2      ASN   8  16.033  -0.113   9.624
   57   2HB   ASN   8           HB1      ASN   8  17.374   1.030   9.660
   58   1HD2  ASN   8          HD22      ASN   8  14.417   3.192   8.114
   59   2HD2  ASN   8          HD21      ASN   8  15.373   2.102   7.232
   60    H    ASN   9           HN       ASN   9  14.469   0.127   8.664
   61    HA   ASN   9           HA       ASN   9  13.134  -1.497   6.846
   62   1HB   ASN   9           HB2      ASN   9  11.953   0.884   8.304
   63   2HB   ASN   9           HB1      ASN   9  11.045  -0.477   7.651
   64   1HD2  ASN   9          HD22      ASN   9  11.773  -1.118  11.281
   65   2HD2  ASN   9          HD21      ASN   9  10.988   0.130  10.439
   66    H    ASP  10           HN       ASP  10  11.722  -1.096   5.074
   67    HA   ASP  10           HA       ASP  10  12.565   1.258   3.452
   68   1HB   ASP  10           HB2      ASP  10  11.134  -1.280   2.615
   69   2HB   ASP  10           HB1      ASP  10  11.703  -0.014   1.530
   70    H    ALA  11           HN       ALA  11   9.781  -0.058   2.212
   71    HA   ALA  11           HA       ALA  11   7.817   1.362   3.814
   72   1HB   ALA  11           HB3      ALA  11   8.951   3.245   2.632
   73   2HB   ALA  11           HB2      ALA  11   8.495   2.514   1.096
   74   3HB   ALA  11           HB1      ALA  11   7.252   3.096   2.200
   75    H    LEU  12           HN       LEU  12   6.561   1.892   0.965
   76    HA   LEU  12           HA       LEU  12   5.173  -0.717   0.901
   77   1HB   LEU  12           HB2      LEU  12   4.671   1.880  -0.575
   78   2HB   LEU  12           HB1      LEU  12   3.658   0.447  -0.713
   79    HG   LEU  12           HG       LEU  12   4.261   1.414   2.047
   80   1HD1  LEU  12          HD11      LEU  12   2.622   2.899   0.003
   81   2HD1  LEU  12          HD13      LEU  12   2.131   2.918   1.694
   82   3HD1  LEU  12          HD12      LEU  12   3.710   3.546   1.228
   83   1HD2  LEU  12          HD23      LEU  12   2.782  -0.599   1.207
   84   2HD2  LEU  12          HD22      LEU  12   2.198   0.406   2.530
   85   3HD2  LEU  12          HD21      LEU  12   1.585   0.654   0.898
   86    H    SER  13           HN       SER  13   4.418  -0.781  -1.786
   87    HA   SER  13           HA       SER  13   6.957  -0.959  -3.304
   88   1HB   SER  13           HB2      SER  13   5.450  -3.294  -3.952
   89   2HB   SER  13           HB1      SER  13   7.013  -3.223  -3.112
   90    HG   SER  13           HG1      SER  13   5.758  -3.961  -1.538
   91    HA   PRO  14           HA       PRO  14   4.674   0.461  -6.772
   92   1HB   PRO  14           HB2      PRO  14   5.331  -1.613  -8.637
   93   2HB   PRO  14           HB1      PRO  14   6.047  -0.007  -8.507
   94   1HG   PRO  14           HG2      PRO  14   7.213  -2.559  -7.722
   95   2HG   PRO  14           HG1      PRO  14   7.968  -0.965  -7.687
   96   1HD   PRO  14           HD1      PRO  14   7.084  -2.506  -5.440
   97   2HD   PRO  14           HD2      PRO  14   7.722  -0.854  -5.425
   98    H    ALA  15           HN       ALA  15   4.484  -3.049  -6.329
   99    HA   ALA  15           HA       ALA  15   2.133  -3.601  -7.765
  100   1HB   ALA  15           HB3      ALA  15   3.784  -5.008  -6.043
  101   2HB   ALA  15           HB2      ALA  15   2.237  -5.007  -5.201
  102   3HB   ALA  15           HB1      ALA  15   2.350  -5.650  -6.836
  103    H    ILE  16           HN       ILE  16   2.502  -1.710  -4.943
  104    HA   ILE  16           HA       ILE  16   0.091  -2.026  -3.561
  105    HB   ILE  16           HB       ILE  16   1.959  -0.435  -2.974
  106   1HG1  ILE  16          HG12      ILE  16  -0.857   0.703  -3.062
  107   2HG1  ILE  16          HG11      ILE  16  -0.225  -0.365  -1.815
  108   1HG2  ILE  16          HG21      ILE  16   1.874   0.537  -5.392
  109   2HG2  ILE  16          HG23      ILE  16   0.555   1.530  -4.778
  110   3HG2  ILE  16          HG22      ILE  16   2.157   1.650  -4.056
  111   1HD1  ILE  16           HD1      ILE  16   1.657   1.453  -1.580
  112   2HD1  ILE  16           HD3      ILE  16   0.497   2.503  -2.389
  113   3HD1  ILE  16           HD2      ILE  16   0.083   1.755  -0.850
  114    NH1  ARG  17           NH1      ARG  17  -2.009   4.855  -5.911
  115    NH2  ARG  17           NH2      ARG  17  -3.479   5.270  -7.610
  116    H    ARG  17           HN       ARG  17   0.604  -0.687  -6.722
  117    HA   ARG  17           HA       ARG  17  -2.054   0.556  -6.853
  118   1HB   ARG  17           HB2      ARG  17   0.245   0.212  -8.755
  119   2HB   ARG  17           HB1      ARG  17  -1.337   0.656  -9.384
  120   1HG   ARG  17           HG2      ARG  17  -0.395   2.179  -7.002
  121   2HG   ARG  17           HG1      ARG  17   0.457   2.487  -8.509
  122   1HD   ARG  17           HD2      ARG  17  -1.643   3.016  -9.643
  123   2HD   ARG  17           HD1      ARG  17  -2.565   2.580  -8.205
  124    HE   ARG  17           HE       ARG  17  -0.712   4.926  -8.333
  125   1HH1  ARG  17          HH11      ARG  17  -1.116   4.515  -5.614
  126   2HH1  ARG  17          HH12      ARG  17  -2.657   5.208  -5.237
  127   1HH2  ARG  17          HH21      ARG  17  -3.687   5.240  -8.588
  128   2HH2  ARG  17          HH22      ARG  17  -4.152   5.630  -6.965
  129    NH1  ARG  18           NH2      ARG  18  -0.773  -4.432 -14.725
  130    NH2  ARG  18           NH1      ARG  18  -1.178  -2.183 -14.783
  131    H    ARG  18           HN       ARG  18  -0.450  -2.114  -8.580
  132    HA   ARG  18           HA       ARG  18  -2.907  -3.079  -9.747
  133   1HB   ARG  18           HB2      ARG  18  -0.108  -4.107  -9.494
  134   2HB   ARG  18           HB1      ARG  18  -1.376  -5.232  -9.970
  135   1HG   ARG  18           HG2      ARG  18  -1.258  -2.566 -11.339
  136   2HG   ARG  18           HG1      ARG  18  -0.076  -3.787 -11.794
  137   1HD   ARG  18           HD2      ARG  18  -1.756  -5.313 -12.503
  138   2HD   ARG  18           HD1      ARG  18  -3.026  -4.441 -11.649
  139    HE   ARG  18           HE       ARG  18  -3.252  -3.105 -13.570
  140   1HH1  ARG  18          HH21      ARG  18  -0.996  -5.332 -14.351
  141   2HH1  ARG  18          HH22      ARG  18  -0.046  -4.338 -15.404
  142   1HH2  ARG  18          HH11      ARG  18  -1.703  -1.398 -14.453
  143   2HH2  ARG  18          HH12      ARG  18  -0.458  -2.051 -15.464
  144    H    LEU  19           HN       LEU  19  -1.715  -3.206  -6.622
  145    HA   LEU  19           HA       LEU  19  -2.371  -5.775  -5.682
  146   1HB   LEU  19           HB2      LEU  19  -1.326  -3.863  -4.373
  147   2HB   LEU  19           HB1      LEU  19  -2.951  -3.218  -4.172
  148    HG   LEU  19           HG       LEU  19  -3.415  -5.764  -3.406
  149   1HD1  LEU  19          HD12      LEU  19  -1.006  -6.361  -3.798
  150   2HD1  LEU  19          HD11      LEU  19  -0.556  -5.208  -2.547
  151   3HD1  LEU  19          HD13      LEU  19  -1.517  -6.624  -2.134
  152   1HD2  LEU  19          HD21      LEU  19  -2.272  -3.482  -1.766
  153   2HD2  LEU  19          HD23      LEU  19  -3.972  -3.865  -2.023
  154   3HD2  LEU  19          HD22      LEU  19  -2.967  -4.930  -1.043
  155    H    LEU  20           HN       LEU  20  -4.459  -3.125  -6.579
  156    HA   LEU  20           HA       LEU  20  -6.860  -4.109  -5.339
  157   1HB   LEU  20           HB2      LEU  20  -6.243  -2.164  -7.532
  158   2HB   LEU  20           HB1      LEU  20  -7.906  -2.696  -7.310
  159    HG   LEU  20           HG       LEU  20  -6.372  -1.859  -4.878
  160   1HD1  LEU  20          HD11      LEU  20  -7.333  -0.045  -7.091
  161   2HD1  LEU  20          HD13      LEU  20  -7.320   0.514  -5.421
  162   3HD1  LEU  20          HD12      LEU  20  -5.818   0.021  -6.196
  163   1HD2  LEU  20          HD22      LEU  20  -8.692  -2.758  -4.757
  164   2HD2  LEU  20          HD21      LEU  20  -8.616  -1.086  -4.209
  165   3HD2  LEU  20          HD23      LEU  20  -9.236  -1.460  -5.815
  166    H    ALA  21           HN       ALA  21  -5.278  -4.774  -8.395
  167    HA   ALA  21           HA       ALA  21  -7.552  -6.344  -9.397
  168   1HB   ALA  21           HB3      ALA  21  -4.991  -5.359 -10.457
  169   2HB   ALA  21           HB2      ALA  21  -5.429  -6.967 -11.028
  170   3HB   ALA  21           HB1      ALA  21  -6.525  -5.612 -11.284
  171    H    GLU  22           HN       GLU  22  -4.384  -6.919  -7.979
  172    HA   GLU  22           HA       GLU  22  -4.091  -9.672  -8.401
  173   1HB   GLU  22           HB2      GLU  22  -2.642  -7.903  -7.053
  174   2HB   GLU  22           HB1      GLU  22  -3.498  -8.593  -5.678
  175   1HG   GLU  22           HG2      GLU  22  -1.868 -10.136  -7.728
  176   2HG   GLU  22           HG1      GLU  22  -1.414  -9.835  -6.052
  177    H    HIS  23           HN       HIS  23  -6.024  -8.019  -5.944
  178    HA   HIS  23           HA       HIS  23  -7.042 -10.634  -4.978
  179   1HB   HIS  23           HB2      HIS  23  -7.633  -7.844  -3.955
  180   2HB   HIS  23           HB1      HIS  23  -8.040  -9.361  -3.155
  181    HD1  HIS  23           HD1      HIS  23  -5.592 -10.843  -3.114
  182    HD2  HIS  23           HD2      HIS  23  -5.420  -6.804  -2.765
  183    HE1  HIS  23           HE1      HIS  23  -3.445 -10.398  -2.073
  184    H    ASN  24           HN       ASN  24  -7.767  -8.588  -7.414
  185    HA   ASN  24           HA       ASN  24  -9.687  -8.313  -8.742
  186   1HB   ASN  24           HB2      ASN  24  -9.741 -10.895  -7.979
  187   2HB   ASN  24           HB1      ASN  24 -11.221 -10.343  -7.199
  188   1HD2  ASN  24          HD22      ASN  24 -10.989 -10.046 -11.302
  189   2HD2  ASN  24          HD21      ASN  24  -9.571  -9.898 -10.383
  190    H    LEU  25           HN       LEU  25  -9.366  -6.653  -6.490
  191    HA   LEU  25           HA       LEU  25 -12.204  -6.249  -5.613
  192   1HB   LEU  25           HB2      LEU  25  -9.677  -5.383  -4.187
  193   2HB   LEU  25           HB1      LEU  25 -11.321  -5.193  -3.592
  194    HG   LEU  25           HG       LEU  25  -9.979  -7.853  -4.208
  195   1HD1  LEU  25          HD13      LEU  25  -9.109  -6.612  -2.186
  196   2HD1  LEU  25          HD12      LEU  25 -10.742  -6.644  -1.531
  197   3HD1  LEU  25          HD11      LEU  25  -9.872  -8.151  -1.800
  198   1HD2  LEU  25          HD22      LEU  25 -12.742  -7.031  -3.360
  199   2HD2  LEU  25          HD21      LEU  25 -12.253  -8.300  -4.477
  200   3HD2  LEU  25          HD23      LEU  25 -12.083  -8.542  -2.742
  201    H    ASP  26           HN       ASP  26 -13.123  -4.296  -5.980
  202    HA   ASP  26           HA       ASP  26 -11.566  -2.388  -7.624
  203   1HB   ASP  26           HB2      ASP  26 -14.501  -2.734  -7.027
  204   2HB   ASP  26           HB1      ASP  26 -13.888  -1.283  -7.820
  205    H    ALA  27           HN       ALA  27 -11.125  -0.303  -7.017
  206    HA   ALA  27           HA       ALA  27 -11.078   0.269  -4.177
  207   1HB   ALA  27           HB1      ALA  27  -9.929   1.362  -6.576
  208   2HB   ALA  27           HB3      ALA  27 -10.654   2.662  -5.636
  209   3HB   ALA  27           HB2      ALA  27  -9.435   1.624  -4.906
  210    H    SER  28           HN       SER  28 -13.513   0.428  -6.420
  211    HA   SER  28           HA       SER  28 -14.836   2.867  -5.938
  212   1HB   SER  28           HB2      SER  28 -16.494   1.908  -7.174
  213   2HB   SER  28           HB1      SER  28 -15.452   0.473  -7.258
  214    HG   SER  28           HG1      SER  28 -17.401   1.120  -5.302
  215    H    ALA  29           HN       ALA  29 -14.909  -0.135  -4.072
  216    HA   ALA  29           HA       ALA  29 -16.769   0.965  -2.102
  217   1HB   ALA  29           HB2      ALA  29 -15.098  -1.560  -2.142
  218   2HB   ALA  29           HB1      ALA  29 -16.230  -1.156  -0.856
  219   3HB   ALA  29           HB3      ALA  29 -16.818  -1.422  -2.494
  220    H    ILE  30           HN       ILE  30 -13.386   0.990  -2.619
  221    HA   ILE  30           HA       ILE  30 -12.826   1.667   0.219
  222    HB   ILE  30           HB       ILE  30 -10.865   1.417  -2.080
  223   1HG1  ILE  30          HG12      ILE  30 -12.042  -0.698  -1.885
  224   2HG1  ILE  30          HG11      ILE  30 -10.453  -0.898  -1.163
  225   1HG2  ILE  30          HG23      ILE  30 -10.640   1.854   0.865
  226   2HG2  ILE  30          HG22      ILE  30  -9.491   0.729   0.158
  227   3HG2  ILE  30          HG21      ILE  30  -9.579   2.382  -0.433
  228   1HD1  ILE  30           HD3      ILE  30 -11.662  -0.233   1.072
  229   2HD1  ILE  30           HD2      ILE  30 -13.131  -0.656   0.203
  230   3HD1  ILE  30           HD1      ILE  30 -11.873  -1.860   0.446
  231    H    LYS  31           HN       LYS  31 -11.157   3.524   0.449
  232    HA   LYS  31           HA       LYS  31 -11.693   5.721  -1.481
  233   1HB   LYS  31           HB2      LYS  31 -11.879   6.269   1.467
  234   2HB   LYS  31           HB1      LYS  31 -12.521   7.212   0.127
  235   1HG   LYS  31           HG2      LYS  31 -14.085   5.294  -0.374
  236   2HG   LYS  31           HG1      LYS  31 -13.528   4.522   1.106
  237   1HD   LYS  31           HD2      LYS  31 -14.301   6.417   2.440
  238   2HD   LYS  31           HD1      LYS  31 -14.742   7.301   0.984
  239   1HE   LYS  31           HE2      LYS  31 -16.707   6.193   2.064
  240   2HE   LYS  31           HE1      LYS  31 -16.427   5.622   0.424
  241   1HZ   LYS  31           HZ2      LYS  31 -14.930   4.043   2.181
  242   2HZ   LYS  31           HZ1      LYS  31 -16.518   4.131   2.777
  243   3HZ   LYS  31           HZ3      LYS  31 -16.233   3.582   1.195
  244    H    GLY  32           HN       GLY  32  -9.934   6.954  -1.852
  245   1HA   GLY  32           HA2      GLY  32  -7.490   6.325  -0.290
  246   2HA   GLY  32           HA1      GLY  32  -7.524   7.136  -1.852
  247    H    THR  33           HN       THR  33  -8.124   7.545   1.592
  248    HA   THR  33           HA       THR  33  -8.425  10.462   1.288
  249    HB   THR  33           HB       THR  33  -8.498  10.285   3.901
  250    HG1  THR  33           HG1      THR  33  -8.319   7.644   2.904
  251   1HG2  THR  33          HG23      THR  33 -10.456   9.004   1.988
  252   2HG2  THR  33          HG22      THR  33 -10.732   8.895   3.724
  253   3HG2  THR  33          HG21      THR  33 -10.662  10.470   2.941
  254    H    GLY  34           HN       GLY  34  -5.925   9.303   0.443
  255   1HA   GLY  34           HA2      GLY  34  -3.881   9.636   2.427
  256   2HA   GLY  34           HA1      GLY  34  -3.617   9.670   0.685
  257    H    VAL  35           HN       VAL  35  -2.108  11.357   2.086
  258    HA   VAL  35           HA       VAL  35  -3.222  13.918   2.678
  259    HB   VAL  35           HB       VAL  35  -0.435  13.092   1.837
  260   1HG1  VAL  35          HG11      VAL  35  -1.586  15.775   2.619
  261   2HG1  VAL  35          HG13      VAL  35   0.111  15.396   2.898
  262   3HG1  VAL  35          HG12      VAL  35  -0.534  15.393   1.260
  263   1HG2  VAL  35          HG21      VAL  35  -1.778  12.589   4.160
  264   2HG2  VAL  35          HG23      VAL  35  -0.032  12.805   4.076
  265   3HG2  VAL  35          HG22      VAL  35  -1.066  14.156   4.535
  266    H    GLY  36           HN       GLY  36  -2.815  12.330  -0.273
  267   1HA   GLY  36           HA2      GLY  36  -3.593  14.782  -1.720
  268   2HA   GLY  36           HA1      GLY  36  -2.084  14.034  -2.235
  269    H    GLY  37           HN       GLY  37  -5.093  12.503  -1.158
  270   1HA   GLY  37           HA2      GLY  37  -6.566  11.071  -2.304
  271   2HA   GLY  37           HA1      GLY  37  -5.970  11.773  -3.805
  272    NH1  ARG  38           NH1      ARG  38   1.191  10.164  -6.231
  273    NH2  ARG  38           NH2      ARG  38   1.507   7.901  -6.233
  274    H    ARG  38           HN       ARG  38  -3.237  10.885  -2.390
  275    HA   ARG  38           HA       ARG  38  -2.755   8.652  -4.088
  276   1HB   ARG  38           HB2      ARG  38  -1.302  10.167  -2.138
  277   2HB   ARG  38           HB1      ARG  38  -1.048   8.454  -1.823
  278   1HG   ARG  38           HG2      ARG  38  -0.398   8.092  -4.163
  279   2HG   ARG  38           HG1      ARG  38  -0.728   9.780  -4.536
  280   1HD   ARG  38           HD2      ARG  38   1.069  10.535  -3.126
  281   2HD   ARG  38           HD1      ARG  38   1.273   8.932  -2.421
  282    HE   ARG  38           HE       ARG  38   2.913   8.930  -4.190
  283   1HH1  ARG  38          HH11      ARG  38   1.238  11.035  -5.741
  284   2HH1  ARG  38          HH12      ARG  38   0.864  10.139  -7.175
  285   1HH2  ARG  38          HH21      ARG  38   1.792   7.076  -5.745
  286   2HH2  ARG  38          HH22      ARG  38   1.186   7.838  -7.178
  287    H    LEU  39           HN       LEU  39  -3.976   6.856  -3.949
  288    HA   LEU  39           HA       LEU  39  -5.321   5.849  -1.704
  289   1HB   LEU  39           HB2      LEU  39  -5.803   4.939  -3.878
  290   2HB   LEU  39           HB1      LEU  39  -4.140   4.413  -4.093
  291    HG   LEU  39           HG       LEU  39  -4.371   2.719  -2.378
  292   1HD1  LEU  39          HD11      LEU  39  -6.958   4.172  -1.799
  293   2HD1  LEU  39          HD13      LEU  39  -6.725   2.500  -1.297
  294   3HD1  LEU  39          HD12      LEU  39  -5.662   3.761  -0.681
  295   1HD2  LEU  39          HD21      LEU  39  -5.681   2.618  -4.750
  296   2HD2  LEU  39          HD23      LEU  39  -5.678   1.283  -3.601
  297   3HD2  LEU  39          HD22      LEU  39  -7.039   2.399  -3.649
  298    H    THR  40           HN       THR  40  -4.454   5.398   0.223
  299    HA   THR  40           HA       THR  40  -1.681   4.374   0.380
  300    HB   THR  40           HB       THR  40  -1.936   4.788   2.834
  301    HG1  THR  40           HG1      THR  40  -4.047   5.733   3.345
  302   1HG2  THR  40          HG22      THR  40  -1.847   6.765   0.909
  303   2HG2  THR  40          HG21      THR  40  -3.320   7.184   1.777
  304   3HG2  THR  40          HG23      THR  40  -1.789   7.080   2.640
  305    NH1  ARG  41           NH1      ARG  41  -2.658  -4.275   3.315
  306    NH2  ARG  41           NH2      ARG  41  -1.247  -4.725   1.574
  307    H    ARG  41           HN       ARG  41  -1.517   2.742   2.396
  308    HA   ARG  41           HA       ARG  41  -3.105   0.398   1.536
  309   1HB   ARG  41           HB2      ARG  41  -0.563   0.386   1.901
  310   2HB   ARG  41           HB1      ARG  41  -0.926   0.425   3.623
  311   1HG   ARG  41           HG2      ARG  41  -2.271  -1.627   3.402
  312   2HG   ARG  41           HG1      ARG  41  -1.965  -1.655   1.669
  313   1HD   ARG  41           HD2      ARG  41   0.330  -2.150   1.961
  314   2HD   ARG  41           HD1      ARG  41   0.326  -1.605   3.637
  315    HE   ARG  41           HE       ARG  41  -0.040  -3.903   4.060
  316   1HH1  ARG  41          HH11      ARG  41  -2.812  -3.840   4.202
  317   2HH1  ARG  41          HH12      ARG  41  -3.395  -4.788   2.875
  318   1HH2  ARG  41          HH21      ARG  41  -0.345  -4.626   1.156
  319   2HH2  ARG  41          HH22      ARG  41  -1.961  -5.245   1.105
  320    H    GLU  42           HN       GLU  42  -3.134   2.753   3.967
  321    HA   GLU  42           HA       GLU  42  -4.288   1.116   6.081
  322   1HB   GLU  42           HB2      GLU  42  -3.089   3.182   6.621
  323   2HB   GLU  42           HB1      GLU  42  -4.251   4.120   5.689
  324   1HG   GLU  42           HG2      GLU  42  -5.388   2.327   7.777
  325   2HG   GLU  42           HG1      GLU  42  -4.497   3.730   8.359
  326    H    ASP  43           HN       ASP  43  -5.457   2.255   3.173
  327    HA   ASP  43           HA       ASP  43  -8.242   2.576   4.143
  328   1HB   ASP  43           HB2      ASP  43  -6.870   3.070   1.503
  329   2HB   ASP  43           HB1      ASP  43  -8.628   3.039   1.627
  330    H    VAL  44           HN       VAL  44  -6.249   0.447   2.181
  331    HA   VAL  44           HA       VAL  44  -8.552  -1.275   1.527
  332    HB   VAL  44           HB       VAL  44  -5.700  -2.048   1.017
  333   1HG1  VAL  44          HG11      VAL  44  -7.984  -3.291   0.416
  334   2HG1  VAL  44          HG13      VAL  44  -7.959  -2.175  -0.945
  335   3HG1  VAL  44          HG12      VAL  44  -6.627  -3.301  -0.707
  336   1HG2  VAL  44          HG21      VAL  44  -7.212   0.268  -0.149
  337   2HG2  VAL  44          HG23      VAL  44  -5.494   0.130   0.210
  338   3HG2  VAL  44          HG22      VAL  44  -6.165  -0.674  -1.207
  339    H    GLU  45           HN       GLU  45  -6.325  -0.939   4.047
  340    HA   GLU  45           HA       GLU  45  -5.917  -3.671   4.799
  341   1HB   GLU  45           HB2      GLU  45  -4.574  -1.891   5.775
  342   2HB   GLU  45           HB1      GLU  45  -6.007  -1.161   6.490
  343   1HG   GLU  45           HG2      GLU  45  -6.040  -2.650   8.215
  344   2HG   GLU  45           HG1      GLU  45  -5.676  -4.013   7.159
  345    H    LYS  46           HN       LYS  46  -8.378  -1.306   5.754
  346    HA   LYS  46           HA       LYS  46  -9.787  -3.221   7.440
  347   1HB   LYS  46           HB2      LYS  46 -10.681  -0.544   6.338
  348   2HB   LYS  46           HB1      LYS  46 -11.497  -1.452   7.607
  349   1HG   LYS  46           HG2      LYS  46  -8.822  -1.333   8.439
  350   2HG   LYS  46           HG1      LYS  46  -9.153   0.271   7.796
  351   1HD   LYS  46           HD2      LYS  46 -10.832  -1.190   9.864
  352   2HD   LYS  46           HD1      LYS  46  -9.748   0.157  10.189
  353   1HE   LYS  46           HE2      LYS  46 -11.293   1.165   8.147
  354   2HE   LYS  46           HE1      LYS  46 -12.454   0.167   9.013
  355   1HZ   LYS  46           HZ3      LYS  46 -11.009   1.522  10.936
  356   2HZ   LYS  46           HZ2      LYS  46 -11.373   2.670   9.739
  357   3HZ   LYS  46           HZ1      LYS  46 -12.622   1.789  10.477
  358    H    HIS  47           HN       HIS  47  -9.403  -4.335   4.931
  359    HA   HIS  47           HA       HIS  47 -12.215  -4.745   4.119
  360   1HB   HIS  47           HB2      HIS  47 -10.902  -2.906   2.704
  361   2HB   HIS  47           HB1      HIS  47 -10.273  -4.335   1.889
  362    HD1  HIS  47           HD1      HIS  47 -13.559  -2.849   2.732
  363    HD2  HIS  47           HD2      HIS  47 -11.996  -5.495   0.085
  364    HE1  HIS  47           HE1      HIS  47 -15.381  -3.363   1.215
  365    H    LEU  48           HN       LEU  48  -8.818  -5.583   3.571
  366    HA   LEU  48           HA       LEU  48  -9.429  -8.194   2.464
  367   1HB   LEU  48           HB2      LEU  48  -6.872  -7.054   3.618
  368   2HB   LEU  48           HB1      LEU  48  -6.983  -8.602   2.789
  369    HG   LEU  48           HG       LEU  48  -8.121  -6.208   1.404
  370   1HD1  LEU  48          HD11      LEU  48  -5.155  -6.817   1.645
  371   2HD1  LEU  48          HD13      LEU  48  -5.851  -5.692   0.484
  372   3HD1  LEU  48          HD12      LEU  48  -5.966  -5.360   2.209
  373   1HD2  LEU  48          HD23      LEU  48  -8.238  -8.523   0.468
  374   2HD2  LEU  48          HD22      LEU  48  -7.312  -7.437  -0.563
  375   3HD2  LEU  48          HD21      LEU  48  -6.478  -8.589   0.474
  376    H    ALA  49           HN       ALA  49  -7.045  -8.843   4.588
  377    HA   ALA  49           HA       ALA  49  -8.790  -9.552   6.870
  378   1HB   ALA  49           HB2      ALA  49  -8.843 -11.429   5.129
  379   2HB   ALA  49           HB1      ALA  49  -7.146 -11.696   5.518
  380   3HB   ALA  49           HB3      ALA  49  -8.377 -11.896   6.762
  381    H    LYS  50           HN       LYS  50  -6.784 -11.510   7.788
  382    HA   LYS  50           HA       LYS  50  -4.861  -9.541   8.880
  383   1HB   LYS  50           HB2      LYS  50  -5.173 -12.456   9.625
  384   2HB   LYS  50           HB1      LYS  50  -4.367 -11.198  10.554
  385   1HG   LYS  50           HG2      LYS  50  -6.834 -10.071  10.223
  386   2HG   LYS  50           HG1      LYS  50  -7.269 -11.775  10.263
  387   1HD   LYS  50           HD2      LYS  50  -5.561 -10.384  12.361
  388   2HD   LYS  50           HD1      LYS  50  -7.275 -10.732  12.537
  389   1HE   LYS  50           HE2      LYS  50  -5.120 -12.820  12.063
  390   2HE   LYS  50           HE1      LYS  50  -5.871 -12.476  13.616
  391   1HZ   LYS  50           HZ1      LYS  50  -7.887 -12.889  11.717
  392   2HZ   LYS  50           HZ3      LYS  50  -6.780 -14.172  11.603
  393   3HZ   LYS  50           HZ2      LYS  50  -7.520 -13.818  13.090
  394    H    ALA  51           HN       ALA  51  -2.578 -10.499   9.253
  395    HA   ALA  51           HA       ALA  51  -1.691 -12.167   6.963
  396   1HB   ALA  51           HB1      ALA  51  -1.538  -9.807   6.212
  397   2HB   ALA  51           HB3      ALA  51  -0.508  -9.449   7.593
  398   3HB   ALA  51           HB2      ALA  51   0.051 -10.555   6.342
   
 Raw file had 398 H/Q atoms
  Start of MODEL    2
    1    OH   TYR   1           OH       TYR   1  19.915  10.187   7.698
    2   1H    TYR   1           HT1      TYR   1  23.693   3.173   5.428
    3   2H    TYR   1           HT3      TYR   1  22.760   3.468   6.817
    4   3H    TYR   1           HT2      TYR   1  22.020   2.878   5.406
    5    HA   TYR   1           HA       TYR   1  21.476   5.118   5.398
    6   1HB   TYR   1           HB2      TYR   1  23.688   5.394   7.058
    7   2HB   TYR   1           HB1      TYR   1  24.151   6.276   5.605
    8    HD1  TYR   1           HD2      TYR   1  22.504   8.015   4.686
    9    HD2  TYR   1           HD1      TYR   1  22.104   6.321   8.567
   10    HE1  TYR   1           HE2      TYR   1  21.038   9.867   5.344
   11    HE2  TYR   1           HE1      TYR   1  20.638   8.173   9.224
   12    HH   TYR   1           HH       TYR   1  20.130  10.945   7.150
   13    H    ALA   2           HN       ALA   2  23.615   3.158   3.838
   14    HA   ALA   2           HA       ALA   2  24.367   5.000   1.683
   15   1HB   ALA   2           HB2      ALA   2  25.043   2.289   2.508
   16   2HB   ALA   2           HB1      ALA   2  24.778   2.395   0.771
   17   3HB   ALA   2           HB3      ALA   2  25.979   3.426   1.543
   18    H    SER   3           HN       SER   3  23.273   5.337  -0.169
   19    HA   SER   3           HA       SER   3  21.188   3.397  -0.998
   20   1HB   SER   3           HB2      SER   3  19.415   4.998  -1.042
   21   2HB   SER   3           HB1      SER   3  20.218   5.285   0.515
   22    HG   SER   3           HG1      SER   3  19.911   7.163  -0.962
   23    H    LEU   4           HN       LEU   4  23.815   4.338  -2.015
   24    HA   LEU   4           HA       LEU   4  23.323   6.015  -4.319
   25   1HB   LEU   4           HB2      LEU   4  25.591   4.444  -3.229
   26   2HB   LEU   4           HB1      LEU   4  25.600   4.647  -4.972
   27    HG   LEU   4           HG       LEU   4  26.824   6.439  -3.571
   28   1HD1  LEU   4          HD11      LEU   4  24.852   6.904  -5.777
   29   2HD1  LEU   4          HD13      LEU   4  25.598   8.311  -5.029
   30   3HD1  LEU   4          HD12      LEU   4  26.600   7.077  -5.782
   31   1HD2  LEU   4          HD22      LEU   4  24.564   6.548  -2.096
   32   2HD2  LEU   4          HD21      LEU   4  25.664   7.909  -2.248
   33   3HD2  LEU   4          HD23      LEU   4  24.212   7.838  -3.237
   34    H    GLU   5           HN       GLU   5  23.797   2.528  -3.900
   35    HA   GLU   5           HA       GLU   5  22.566   2.118  -6.603
   36   1HB   GLU   5           HB2      GLU   5  24.106  -0.083  -5.349
   37   2HB   GLU   5           HB1      GLU   5  24.055   0.435  -7.030
   38   1HG   GLU   5           HG2      GLU   5  25.310   2.554  -6.205
   39   2HG   GLU   5           HG1      GLU   5  25.646   1.619  -4.750
   40    H    GLU   6           HN       GLU   6  21.184   2.434  -4.021
   41    HA   GLU   6           HA       GLU   6  19.670  -0.124  -4.116
   42   1HB   GLU   6           HB2      GLU   6  21.037   1.060  -1.727
   43   2HB   GLU   6           HB1      GLU   6  19.520   0.197  -1.500
   44   1HG   GLU   6           HG2      GLU   6  21.838  -0.981  -3.060
   45   2HG   GLU   6           HG1      GLU   6  21.643  -1.227  -1.326
   46    H    GLN   7           HN       GLN   7  17.496   0.128  -3.867
   47    HA   GLN   7           HA       GLN   7  16.441   2.842  -4.008
   48   1HB   GLN   7           HB2      GLN   7  15.423   0.107  -4.361
   49   2HB   GLN   7           HB1      GLN   7  14.254   1.214  -3.649
   50   1HG   GLN   7           HG2      GLN   7  14.417   2.729  -5.495
   51   2HG   GLN   7           HG1      GLN   7  15.866   1.937  -6.110
   52   1HE2  GLN   7          HE22      GLN   7  14.040  -0.842  -7.501
   53   2HE2  GLN   7          HE21      GLN   7  15.528  -0.439  -6.789
   54    H    ASN   8           HN       ASN   8  15.196   3.910  -2.478
   55    HA   ASN   8           HA       ASN   8  15.761   3.236   0.297
   56   1HB   ASN   8           HB2      ASN   8  13.826   5.321  -0.735
   57   2HB   ASN   8           HB1      ASN   8  14.621   5.287   0.836
   58   1HD2  ASN   8          HD22      ASN   8  17.750   6.465  -0.419
   59   2HD2  ASN   8          HD21      ASN   8  17.009   5.619   0.854
   60    H    ASN   9           HN       ASN   9  12.996   4.348   1.000
   61    HA   ASN   9           HA       ASN   9  11.108   2.280   0.250
   62   1HB   ASN   9           HB2      ASN   9  10.920   1.313   2.582
   63   2HB   ASN   9           HB1      ASN   9  12.403   0.883   1.731
   64   1HD2  ASN   9          HD22      ASN   9  13.303   2.084   5.163
   65   2HD2  ASN   9          HD21      ASN   9  12.331   0.831   4.559
   66    H    ASP  10           HN       ASP  10  10.383   4.645  -0.101
   67    HA   ASP  10           HA       ASP  10   9.600   6.312   2.051
   68   1HB   ASP  10           HB2      ASP  10   8.521   5.945  -0.738
   69   2HB   ASP  10           HB1      ASP  10   7.813   7.115   0.372
   70    H    ALA  11           HN       ALA  11   6.814   5.517   0.326
   71    HA   ALA  11           HA       ALA  11   5.783   3.777   2.521
   72   1HB   ALA  11           HB1      ALA  11   5.125   6.167   2.916
   73   2HB   ALA  11           HB3      ALA  11   4.279   6.141   1.372
   74   3HB   ALA  11           HB2      ALA  11   3.750   5.092   2.684
   75    H    LEU  12           HN       LEU  12   4.255   5.337  -0.273
   76    HA   LEU  12           HA       LEU  12   2.817   3.000  -1.057
   77   1HB   LEU  12           HB2      LEU  12   3.655   5.369  -2.752
   78   2HB   LEU  12           HB1      LEU  12   2.408   4.204  -3.176
   79    HG   LEU  12           HG       LEU  12   2.213   5.597  -0.523
   80   1HD1  LEU  12          HD12      LEU  12   1.413   6.804  -3.194
   81   2HD1  LEU  12          HD11      LEU  12   0.990   7.462  -1.616
   82   3HD1  LEU  12          HD13      LEU  12   2.674   7.416  -2.129
   83   1HD2  LEU  12          HD21      LEU  12   0.192   4.694  -2.605
   84   2HD2  LEU  12          HD23      LEU  12   0.621   3.807  -1.146
   85   3HD2  LEU  12          HD22      LEU  12  -0.202   5.358  -1.023
   86    H    SER  13           HN       SER  13   3.173   1.562  -2.817
   87    HA   SER  13           HA       SER  13   5.873   1.570  -4.016
   88   1HB   SER  13           HB2      SER  13   5.133  -0.136  -1.831
   89   2HB   SER  13           HB1      SER  13   5.399  -1.133  -3.275
   90    HG   SER  13           HG1      SER  13   7.196   0.217  -1.801
   91    HA   PRO  14           HA       PRO  14   3.955   0.054  -7.660
   92   1HB   PRO  14           HB2      PRO  14   5.586  -2.280  -8.061
   93   2HB   PRO  14           HB1      PRO  14   5.687  -0.726  -8.889
   94   1HG   PRO  14           HG2      PRO  14   7.480  -1.784  -6.859
   95   2HG   PRO  14           HG1      PRO  14   7.620  -0.262  -7.740
   96   1HD   PRO  14           HD1      PRO  14   6.914  -0.601  -4.986
   97   2HD   PRO  14           HD2      PRO  14   6.926   0.909  -5.913
   98    H    ALA  15           HN       ALA  15   4.686  -2.324  -5.179
   99    HA   ALA  15           HA       ALA  15   3.033  -4.451  -6.014
  100   1HB   ALA  15           HB3      ALA  15   3.683  -3.451  -3.233
  101   2HB   ALA  15           HB2      ALA  15   2.838  -4.963  -3.544
  102   3HB   ALA  15           HB1      ALA  15   4.488  -4.744  -4.116
  103    H    ILE  16           HN       ILE  16   2.223  -1.420  -4.468
  104    HA   ILE  16           HA       ILE  16  -0.421  -1.976  -3.636
  105    HB   ILE  16           HB       ILE  16   1.062   0.185  -3.396
  106   1HG1  ILE  16          HG12      ILE  16  -1.953   0.197  -3.784
  107   2HG1  ILE  16          HG11      ILE  16  -1.089  -0.092  -2.277
  108   1HG2  ILE  16          HG21      ILE  16   0.920   0.441  -5.989
  109   2HG2  ILE  16          HG23      ILE  16  -0.694   1.077  -5.682
  110   3HG2  ILE  16          HG22      ILE  16   0.715   1.880  -4.996
  111   1HD1  ILE  16           HD2      ILE  16  -0.015   2.273  -2.802
  112   2HD1  ILE  16           HD1      ILE  16  -1.462   2.481  -3.783
  113   3HD1  ILE  16           HD3      ILE  16  -1.606   2.174  -2.056
  114    NH1  ARG  17           NH1      ARG  17   3.776   0.547 -10.697
  115    NH2  ARG  17           NH2      ARG  17   2.976   0.289 -12.821
  116    H    ARG  17           HN       ARG  17   0.894  -1.624  -6.803
  117    HA   ARG  17           HA       ARG  17  -1.726  -1.156  -8.062
  118   1HB   ARG  17           HB2      ARG  17   0.849  -1.880  -9.465
  119   2HB   ARG  17           HB1      ARG  17  -0.533  -1.007 -10.119
  120   1HG   ARG  17           HG2      ARG  17  -0.028   0.690  -8.169
  121   2HG   ARG  17           HG1      ARG  17   1.569  -0.049  -8.191
  122   1HD   ARG  17           HD2      ARG  17   0.174   1.482 -10.386
  123   2HD   ARG  17           HD1      ARG  17   1.796   1.720  -9.737
  124    HE   ARG  17           HE       ARG  17   1.077  -0.675 -11.383
  125   1HH1  ARG  17          HH11      ARG  17   3.602   0.553  -9.712
  126   2HH1  ARG  17          HH12      ARG  17   4.696   0.722 -11.044
  127   1HH2  ARG  17          HH21      ARG  17   2.204   0.102 -13.429
  128   2HH2  ARG  17          HH22      ARG  17   3.884   0.460 -13.205
  129    NH1  ARG  18           NH1      ARG  18   0.604  -6.109 -13.574
  130    NH2  ARG  18           NH2      ARG  18  -1.394  -5.721 -12.538
  131    H    ARG  18           HN       ARG  18   0.654  -3.770  -7.832
  132    HA   ARG  18           HA       ARG  18  -1.030  -5.611  -9.362
  133   1HB   ARG  18           HB2      ARG  18   1.296  -6.417  -7.625
  134   2HB   ARG  18           HB1      ARG  18   0.720  -7.175  -9.104
  135   1HG   ARG  18           HG2      ARG  18   2.102  -4.485  -8.845
  136   2HG   ARG  18           HG1      ARG  18   2.720  -5.921  -9.653
  137   1HD   ARG  18           HD2      ARG  18   0.408  -4.159 -10.508
  138   2HD   ARG  18           HD1      ARG  18   1.874  -4.535 -11.409
  139    HE   ARG  18           HE       ARG  18   0.454  -6.964 -10.866
  140   1HH1  ARG  18          HH11      ARG  18   1.582  -6.305 -13.502
  141   2HH1  ARG  18          HH12      ARG  18   0.178  -6.015 -14.474
  142   1HH2  ARG  18          HH21      ARG  18  -1.915  -5.625 -11.689
  143   2HH2  ARG  18          HH22      ARG  18  -1.854  -5.620 -13.421
  144    H    LEU  19           HN       LEU  19  -1.555  -4.341  -6.486
  145    HA   LEU  19           HA       LEU  19  -2.180  -6.839  -5.027
  146   1HB   LEU  19           HB2      LEU  19  -1.225  -4.614  -4.019
  147   2HB   LEU  19           HB1      LEU  19  -2.905  -4.092  -4.054
  148    HG   LEU  19           HG       LEU  19  -3.237  -6.542  -2.961
  149   1HD1  LEU  19          HD11      LEU  19  -0.752  -6.938  -3.041
  150   2HD1  LEU  19          HD13      LEU  19  -0.544  -5.585  -1.933
  151   3HD1  LEU  19          HD12      LEU  19  -1.415  -7.023  -1.412
  152   1HD2  LEU  19          HD22      LEU  19  -2.562  -3.884  -1.694
  153   2HD2  LEU  19          HD21      LEU  19  -4.138  -4.653  -1.854
  154   3HD2  LEU  19          HD23      LEU  19  -2.967  -5.280  -0.699
  155    H    LEU  20           HN       LEU  20  -3.888  -3.950  -6.194
  156    HA   LEU  20           HA       LEU  20  -6.514  -4.909  -5.550
  157   1HB   LEU  20           HB2      LEU  20  -5.489  -2.830  -7.482
  158   2HB   LEU  20           HB1      LEU  20  -7.206  -3.181  -7.326
  159    HG   LEU  20           HG       LEU  20  -5.696  -2.749  -4.791
  160   1HD1  LEU  20          HD13      LEU  20  -6.172  -0.647  -6.899
  161   2HD1  LEU  20          HD12      LEU  20  -6.223  -0.212  -5.194
  162   3HD1  LEU  20          HD11      LEU  20  -4.753  -0.890  -5.886
  163   1HD2  LEU  20          HD21      LEU  20  -8.134  -3.247  -4.870
  164   2HD2  LEU  20          HD23      LEU  20  -7.820  -1.659  -4.178
  165   3HD2  LEU  20          HD22      LEU  20  -8.386  -1.799  -5.839
  166    H    ALA  21           HN       ALA  21  -4.442  -5.295  -8.353
  167    HA   ALA  21           HA       ALA  21  -6.470  -6.400 -10.087
  168   1HB   ALA  21           HB3      ALA  21  -3.500  -6.194 -10.103
  169   2HB   ALA  21           HB2      ALA  21  -4.222  -7.429 -11.130
  170   3HB   ALA  21           HB1      ALA  21  -4.662  -5.738 -11.344
  171    H    GLU  22           HN       GLU  22  -4.284  -7.753  -7.705
  172    HA   GLU  22           HA       GLU  22  -4.709 -10.516  -8.448
  173   1HB   GLU  22           HB2      GLU  22  -2.787  -9.607  -7.056
  174   2HB   GLU  22           HB1      GLU  22  -3.922  -9.489  -5.716
  175   1HG   GLU  22           HG2      GLU  22  -3.304 -11.646  -5.291
  176   2HG   GLU  22           HG1      GLU  22  -4.399 -12.044  -6.612
  177    H    HIS  23           HN       HIS  23  -6.142  -8.390  -6.001
  178    HA   HIS  23           HA       HIS  23  -8.086 -10.516  -5.299
  179   1HB   HIS  23           HB2      HIS  23  -7.990  -7.750  -4.106
  180   2HB   HIS  23           HB1      HIS  23  -8.608  -9.233  -3.384
  181    HD1  HIS  23           HD1      HIS  23  -6.527 -11.065  -3.249
  182    HD2  HIS  23           HD2      HIS  23  -5.497  -7.140  -3.199
  183    HE1  HIS  23           HE1      HIS  23  -4.289 -11.019  -2.310
  184    H    ASN  24           HN       ASN  24  -7.813  -7.872  -7.374
  185    HA   ASN  24           HA       ASN  24  -9.394  -6.670  -8.641
  186   1HB   ASN  24           HB2      ASN  24 -10.959  -9.225  -8.184
  187   2HB   ASN  24           HB1      ASN  24 -11.300  -8.026  -9.429
  188   1HD2  ASN  24          HD22      ASN  24  -8.648 -10.867 -10.242
  189   2HD2  ASN  24          HD21      ASN  24  -9.811 -10.955  -9.009
  190    H    LEU  25           HN       LEU  25  -9.405  -5.924  -5.982
  191    HA   LEU  25           HA       LEU  25 -12.250  -5.844  -5.151
  192   1HB   LEU  25           HB2      LEU  25  -9.636  -5.203  -3.831
  193   2HB   LEU  25           HB1      LEU  25 -11.108  -4.488  -3.192
  194    HG   LEU  25           HG       LEU  25 -10.791  -7.467  -3.712
  195   1HD1  LEU  25          HD11      LEU  25 -10.428  -5.901  -1.135
  196   2HD1  LEU  25          HD13      LEU  25 -10.463  -7.657  -1.253
  197   3HD1  LEU  25          HD12      LEU  25  -9.161  -6.751  -2.015
  198   1HD2  LEU  25          HD21      LEU  25 -13.008  -5.759  -2.947
  199   2HD2  LEU  25          HD23      LEU  25 -13.009  -7.490  -3.257
  200   3HD2  LEU  25          HD22      LEU  25 -12.646  -6.885  -1.645
  201    H    ASP  26           HN       ASP  26 -13.501  -4.200  -5.758
  202    HA   ASP  26           HA       ASP  26 -12.534  -1.939  -7.218
  203   1HB   ASP  26           HB2      ASP  26 -14.959  -1.091  -6.301
  204   2HB   ASP  26           HB1      ASP  26 -14.756  -2.162  -7.685
  205    H    ALA  27           HN       ALA  27 -11.144  -0.544  -6.287
  206    HA   ALA  27           HA       ALA  27 -11.187   0.117  -3.474
  207   1HB   ALA  27           HB3      ALA  27  -9.328   0.368  -5.434
  208   2HB   ALA  27           HB2      ALA  27  -9.916   2.026  -5.349
  209   3HB   ALA  27           HB1      ALA  27  -9.253   1.251  -3.913
  210    H    SER  28           HN       SER  28 -12.876   1.285  -6.225
  211    HA   SER  28           HA       SER  28 -13.432   3.955  -5.331
  212   1HB   SER  28           HB2      SER  28 -15.634   2.823  -6.843
  213   2HB   SER  28           HB1      SER  28 -14.446   4.036  -7.357
  214    HG   SER  28           HG1      SER  28 -13.931   2.307  -8.567
  215    H    ALA  29           HN       ALA  29 -14.582   0.886  -4.328
  216    HA   ALA  29           HA       ALA  29 -17.055   1.945  -3.135
  217   1HB   ALA  29           HB2      ALA  29 -15.742  -0.755  -3.266
  218   2HB   ALA  29           HB1      ALA  29 -17.046  -0.463  -2.120
  219   3HB   ALA  29           HB3      ALA  29 -17.332  -0.270  -3.847
  220    H    ILE  30           HN       ILE  30 -13.778   1.594  -2.266
  221    HA   ILE  30           HA       ILE  30 -14.352   1.586   0.635
  222    HB   ILE  30           HB       ILE  30 -11.680   1.766  -0.786
  223   1HG1  ILE  30          HG12      ILE  30 -12.797  -0.283  -1.483
  224   2HG1  ILE  30          HG11      ILE  30 -11.545  -0.704  -0.327
  225   1HG2  ILE  30          HG21      ILE  30 -12.542   1.586   2.055
  226   2HG2  ILE  30          HG23      ILE  30 -11.208   0.536   1.599
  227   3HG2  ILE  30          HG22      ILE  30 -11.077   2.274   1.366
  228   1HD1  ILE  30           HD3      ILE  30 -13.489  -0.474   1.445
  229   2HD1  ILE  30           HD2      ILE  30 -14.536  -0.674   0.046
  230   3HD1  ILE  30           HD1      ILE  30 -13.382  -1.933   0.471
  231    H    LYS  31           HN       LYS  31 -14.876   3.477   1.534
  232    HA   LYS  31           HA       LYS  31 -14.325   6.030   0.335
  233   1HB   LYS  31           HB2      LYS  31 -15.528   5.037   2.842
  234   2HB   LYS  31           HB1      LYS  31 -14.807   6.639   2.950
  235   1HG   LYS  31           HG2      LYS  31 -16.134   7.413   1.053
  236   2HG   LYS  31           HG1      LYS  31 -16.773   5.793   0.798
  237   1HD   LYS  31           HD2      LYS  31 -17.113   6.892   3.537
  238   2HD   LYS  31           HD1      LYS  31 -18.054   7.682   2.277
  239   1HE   LYS  31           HE2      LYS  31 -17.978   4.673   2.472
  240   2HE   LYS  31           HE1      LYS  31 -19.085   5.603   3.472
  241   1HZ   LYS  31           HZ3      LYS  31 -19.320   6.624   0.923
  242   2HZ   LYS  31           HZ2      LYS  31 -19.290   4.937   0.734
  243   3HZ   LYS  31           HZ1      LYS  31 -20.443   5.658   1.752
  244    H    GLY  32           HN       GLY  32 -12.603   7.344   0.511
  245   1HA   GLY  32           HA2      GLY  32 -10.332   6.408   2.186
  246   2HA   GLY  32           HA1      GLY  32 -10.212   7.553   0.853
  247    H    THR  33           HN       THR  33 -10.301   7.238   4.179
  248    HA   THR  33           HA       THR  33 -11.366   9.966   4.643
  249    HB   THR  33           HB       THR  33 -11.499   9.363   6.955
  250    HG1  THR  33           HG1      THR  33  -9.461   8.683   7.340
  251   1HG2  THR  33          HG21      THR  33 -12.905   7.801   5.462
  252   2HG2  THR  33          HG23      THR  33 -11.584   6.644   5.601
  253   3HG2  THR  33          HG22      THR  33 -12.470   7.146   7.038
  254    H    GLY  34           HN       GLY  34  -8.618   8.994   3.471
  255   1HA   GLY  34           HA2      GLY  34  -6.534   9.817   5.190
  256   2HA   GLY  34           HA1      GLY  34  -6.456   9.911   3.433
  257    H    VAL  35           HN       VAL  35  -5.135  11.864   4.359
  258    HA   VAL  35           HA       VAL  35  -6.218  14.157   5.476
  259    HB   VAL  35           HB       VAL  35  -4.388  14.154   3.062
  260   1HG1  VAL  35          HG11      VAL  35  -5.513  16.236   4.640
  261   2HG1  VAL  35          HG13      VAL  35  -3.821  16.105   5.109
  262   3HG1  VAL  35          HG12      VAL  35  -4.248  16.381   3.423
  263   1HG2  VAL  35          HG21      VAL  35  -3.773  13.867   6.024
  264   2HG2  VAL  35          HG23      VAL  35  -3.548  12.623   4.798
  265   3HG2  VAL  35          HG22      VAL  35  -2.566  14.083   4.761
  266    H    GLY  36           HN       GLY  36  -7.973  15.305   5.010
  267   1HA   GLY  36           HA2      GLY  36  -9.481  16.574   3.700
  268   2HA   GLY  36           HA1      GLY  36  -8.548  16.138   2.271
  269    H    GLY  37           HN       GLY  37  -8.630  13.403   2.356
  270   1HA   GLY  37           HA2      GLY  37 -10.688  11.811   2.863
  271   2HA   GLY  37           HA1      GLY  37 -11.504  12.918   1.763
  272    NH1  ARG  38           NH1      ARG  38  -9.084  13.843  -2.980
  273    NH2  ARG  38           NH2      ARG  38  -9.577  11.652  -3.403
  274    H    ARG  38           HN       ARG  38  -8.162  11.815   1.537
  275    HA   ARG  38           HA       ARG  38  -8.761  10.800  -1.186
  276   1HB   ARG  38           HB2      ARG  38  -6.091  11.148   0.201
  277   2HB   ARG  38           HB1      ARG  38  -6.339  10.791  -1.504
  278   1HG   ARG  38           HG2      ARG  38  -7.915  13.095  -0.778
  279   2HG   ARG  38           HG1      ARG  38  -6.248  13.350  -0.273
  280   1HD   ARG  38           HD2      ARG  38  -6.536  14.117  -2.592
  281   2HD   ARG  38           HD1      ARG  38  -5.489  12.699  -2.566
  282    HE   ARG  38           HE       ARG  38  -7.110  11.673  -3.925
  283   1HH1  ARG  38          HH11      ARG  38  -8.394  14.555  -2.847
  284   2HH1  ARG  38          HH12      ARG  38 -10.056  14.072  -2.926
  285   1HH2  ARG  38          HH21      ARG  38  -9.256  10.723  -3.587
  286   2HH2  ARG  38          HH22      ARG  38 -10.557  11.844  -3.356
  287    H    LEU  39           HN       LEU  39  -7.685   8.748  -1.850
  288    HA   LEU  39           HA       LEU  39  -8.080   6.711   0.279
  289   1HB   LEU  39           HB2      LEU  39  -9.205   6.606  -2.038
  290   2HB   LEU  39           HB1      LEU  39  -7.616   6.159  -2.650
  291    HG   LEU  39           HG       LEU  39  -7.774   4.469  -0.538
  292   1HD1  LEU  39          HD13      LEU  39 -10.175   5.466  -0.219
  293   2HD1  LEU  39          HD12      LEU  39 -10.598   4.450  -1.594
  294   3HD1  LEU  39          HD11      LEU  39  -9.969   3.721  -0.119
  295   1HD2  LEU  39          HD21      LEU  39  -8.895   4.108  -3.334
  296   2HD2  LEU  39          HD23      LEU  39  -7.261   3.742  -2.790
  297   3HD2  LEU  39          HD22      LEU  39  -8.616   2.772  -2.222
  298    H    THR  40           HN       THR  40  -6.506   5.177   0.779
  299    HA   THR  40           HA       THR  40  -3.859   5.400  -0.526
  300    HB   THR  40           HB       THR  40  -2.658   5.973   1.477
  301    HG1  THR  40           HG1      THR  40  -4.681   6.042   3.229
  302   1HG2  THR  40          HG22      THR  40  -4.072   7.918   0.633
  303   2HG2  THR  40          HG21      THR  40  -5.314   7.425   1.779
  304   3HG2  THR  40          HG23      THR  40  -3.747   7.974   2.362
  305    NH1  ARG  41           NH2      ARG  41   0.546  -3.696   2.577
  306    NH2  ARG  41           NH1      ARG  41   2.195  -2.156   2.213
  307    H    ARG  41           HN       ARG  41  -2.626   3.983   1.744
  308    HA   ARG  41           HA       ARG  41  -3.678   1.279   1.089
  309   1HB   ARG  41           HB2      ARG  41  -1.226   1.869   0.787
  310   2HB   ARG  41           HB1      ARG  41  -1.116   1.964   2.541
  311   1HG   ARG  41           HG2      ARG  41  -1.964  -0.374   2.698
  312   2HG   ARG  41           HG1      ARG  41  -1.996  -0.463   0.940
  313   1HD   ARG  41           HD2      ARG  41   0.503   0.226   1.056
  314   2HD   ARG  41           HD1      ARG  41   0.405  -0.213   2.760
  315    HE   ARG  41           HE       ARG  41  -0.416  -2.199   0.692
  316   1HH1  ARG  41          HH21      ARG  41  -0.405  -3.977   2.453
  317   2HH1  ARG  41          HH22      ARG  41   1.178  -4.281   3.084
  318   1HH2  ARG  41          HH11      ARG  41   2.479  -1.284   1.817
  319   2HH2  ARG  41          HH12      ARG  41   2.855  -2.716   2.714
  320    H    GLU  42           HN       GLU  42  -3.442   3.550   3.663
  321    HA   GLU  42           HA       GLU  42  -3.739   1.643   5.836
  322   1HB   GLU  42           HB2      GLU  42  -3.057   4.284   5.702
  323   2HB   GLU  42           HB1      GLU  42  -4.720   4.391   6.269
  324   1HG   GLU  42           HG2      GLU  42  -4.129   2.655   8.027
  325   2HG   GLU  42           HG1      GLU  42  -2.445   2.835   7.539
  326    H    ASP  43           HN       ASP  43  -5.726   1.986   3.429
  327    HA   ASP  43           HA       ASP  43  -8.180   1.767   5.131
  328   1HB   ASP  43           HB2      ASP  43  -7.814   3.258   2.529
  329   2HB   ASP  43           HB1      ASP  43  -9.402   2.795   3.136
  330    H    VAL  44           HN       VAL  44  -6.805   1.076   1.929
  331    HA   VAL  44           HA       VAL  44  -8.742  -1.014   1.365
  332    HB   VAL  44           HB       VAL  44  -6.076  -0.374   0.076
  333   1HG1  VAL  44          HG13      VAL  44  -8.251  -2.367  -0.520
  334   2HG1  VAL  44          HG12      VAL  44  -7.357  -1.645  -1.854
  335   3HG1  VAL  44          HG11      VAL  44  -6.505  -2.570  -0.621
  336   1HG2  VAL  44          HG23      VAL  44  -8.048   1.329   0.067
  337   2HG2  VAL  44          HG22      VAL  44  -7.306   0.919  -1.478
  338   3HG2  VAL  44          HG21      VAL  44  -8.838   0.184  -1.013
  339    H    GLU  45           HN       GLU  45  -6.041  -0.861   3.349
  340    HA   GLU  45           HA       GLU  45  -5.132  -3.613   2.986
  341   1HB   GLU  45           HB2      GLU  45  -3.551  -1.946   3.777
  342   2HB   GLU  45           HB1      GLU  45  -4.581  -1.575   5.156
  343   1HG   GLU  45           HG2      GLU  45  -3.863  -4.439   4.839
  344   2HG   GLU  45           HG1      GLU  45  -2.531  -3.366   5.263
  345    H    LYS  46           HN       LYS  46  -7.526  -1.986   4.878
  346    HA   LYS  46           HA       LYS  46  -7.835  -4.263   6.731
  347   1HB   LYS  46           HB2      LYS  46  -8.851  -1.487   6.556
  348   2HB   LYS  46           HB1      LYS  46  -9.958  -2.658   7.266
  349   1HG   LYS  46           HG2      LYS  46  -8.226  -3.360   8.864
  350   2HG   LYS  46           HG1      LYS  46  -7.072  -2.255   8.126
  351   1HD   LYS  46           HD2      LYS  46  -8.577  -0.348   8.701
  352   2HD   LYS  46           HD1      LYS  46  -9.666  -1.475   9.503
  353   1HE   LYS  46           HE2      LYS  46  -7.614  -2.204  10.887
  354   2HE   LYS  46           HE1      LYS  46  -6.829  -0.755  10.269
  355   1HZ   LYS  46           HZ3      LYS  46  -9.451  -0.223  11.262
  356   2HZ   LYS  46           HZ2      LYS  46  -8.448  -0.904  12.451
  357   3HZ   LYS  46           HZ1      LYS  46  -7.973   0.518  11.651
  358    H    HIS  47           HN       HIS  47  -8.811  -3.547   3.645
  359    HA   HIS  47           HA       HIS  47 -11.452  -4.886   3.909
  360   1HB   HIS  47           HB2      HIS  47 -10.877  -2.740   2.462
  361   2HB   HIS  47           HB1      HIS  47 -10.367  -3.947   1.283
  362    HD1  HIS  47           HD1      HIS  47 -13.383  -3.168   3.300
  363    HD2  HIS  47           HD2      HIS  47 -12.417  -5.097  -0.138
  364    HE1  HIS  47           HE1      HIS  47 -15.512  -3.783   2.310
  365    H    LEU  48           HN       LEU  48  -8.371  -5.853   3.642
  366    HA   LEU  48           HA       LEU  48  -8.875  -7.965   1.612
  367   1HB   LEU  48           HB2      LEU  48  -6.449  -6.769   2.868
  368   2HB   LEU  48           HB1      LEU  48  -6.349  -8.443   2.335
  369    HG   LEU  48           HG       LEU  48  -7.535  -6.378   0.496
  370   1HD1  LEU  48          HD13      LEU  48  -4.620  -6.803   1.162
  371   2HD1  LEU  48          HD12      LEU  48  -5.107  -6.256  -0.439
  372   3HD1  LEU  48          HD11      LEU  48  -5.491  -5.284   0.977
  373   1HD2  LEU  48          HD22      LEU  48  -7.286  -9.054   0.274
  374   2HD2  LEU  48          HD21      LEU  48  -7.176  -7.986  -1.121
  375   3HD2  LEU  48          HD23      LEU  48  -5.709  -8.582  -0.351
  376    H    ALA  49           HN       ALA  49  -9.609  -7.617   4.708
  377    HA   ALA  49           HA       ALA  49  -9.546 -10.510   5.203
  378   1HB   ALA  49           HB1      ALA  49  -7.310  -9.456   6.002
  379   2HB   ALA  49           HB3      ALA  49  -8.276  -8.764   7.301
  380   3HB   ALA  49           HB2      ALA  49  -8.174 -10.511   7.115
  381    H    LYS  50           HN       LYS  50 -11.766 -10.470   5.383
  382    HA   LYS  50           HA       LYS  50 -12.987  -8.610   7.346
  383   1HB   LYS  50           HB2      LYS  50 -13.852  -9.814   4.907
  384   2HB   LYS  50           HB1      LYS  50 -14.913 -10.373   6.194
  385   1HG   LYS  50           HG2      LYS  50 -15.330  -8.061   6.898
  386   2HG   LYS  50           HG1      LYS  50 -14.196  -7.465   5.691
  387   1HD   LYS  50           HD2      LYS  50 -16.262  -9.252   4.587
  388   2HD   LYS  50           HD1      LYS  50 -16.910  -7.772   5.285
  389   1HE   LYS  50           HE2      LYS  50 -15.355  -6.431   3.925
  390   2HE   LYS  50           HE1      LYS  50 -14.657  -7.899   3.253
  391   1HZ   LYS  50           HZ3      LYS  50 -17.368  -8.124   2.860
  392   2HZ   LYS  50           HZ2      LYS  50 -16.999  -6.511   2.472
  393   3HZ   LYS  50           HZ1      LYS  50 -16.188  -7.781   1.688
  394    H    ALA  51           HN       ALA  51 -12.712 -12.078   6.683
  395    HA   ALA  51           HA       ALA  51 -14.175 -12.924   9.010
  396   1HB   ALA  51           HB2      ALA  51 -12.064 -14.362   7.382
  397   2HB   ALA  51           HB1      ALA  51 -13.090 -15.128   8.591
  398   3HB   ALA  51           HB3      ALA  51 -13.805 -14.443   7.135
   
 Raw file had 398 H/Q atoms
  Start of MODEL    3
    1    OH   TYR   1           OH       TYR   1  24.177  -0.029   0.381
    2   1H    TYR   1           HT3      TYR   1  21.042  -2.945  -4.418
    3   2H    TYR   1           HT2      TYR   1  21.893  -1.875  -3.411
    4   3H    TYR   1           HT1      TYR   1  20.196  -1.926  -3.355
    5    HA   TYR   1           HA       TYR   1  19.998  -0.997  -5.511
    6   1HB   TYR   1           HB2      TYR   1  21.700   1.063  -5.122
    7   2HB   TYR   1           HB1      TYR   1  20.207   0.880  -4.205
    8    HD1  TYR   1           HD1      TYR   1  20.273  -0.076  -1.909
    9    HD2  TYR   1           HD2      TYR   1  23.853   0.668  -4.081
   10    HE1  TYR   1           HE1      TYR   1  21.569  -0.276   0.161
   11    HE2  TYR   1           HE2      TYR   1  25.150   0.468  -2.010
   12    HH   TYR   1           HH       TYR   1  24.610   0.812   0.542
   13    H    ALA   2           HN       ALA   2  21.550   0.444  -7.053
   14    HA   ALA   2           HA       ALA   2  23.852  -1.302  -7.842
   15   1HB   ALA   2           HB2      ALA   2  21.724  -0.091  -9.621
   16   2HB   ALA   2           HB1      ALA   2  23.214  -0.804 -10.229
   17   3HB   ALA   2           HB3      ALA   2  22.047  -1.803  -9.368
   18    H    SER   3           HN       SER   3  23.350   1.016 -10.125
   19    HA   SER   3           HA       SER   3  25.722   2.466  -9.545
   20   1HB   SER   3           HB2      SER   3  23.337   3.425 -11.165
   21   2HB   SER   3           HB1      SER   3  25.007   4.009 -11.298
   22    HG   SER   3           HG1      SER   3  25.636   2.100 -12.091
   23    H    LEU   4           HN       LEU   4  25.524   5.027  -9.408
   24    HA   LEU   4           HA       LEU   4  24.112   5.531  -6.851
   25   1HB   LEU   4           HB2      LEU   4  26.089   7.274  -8.344
   26   2HB   LEU   4           HB1      LEU   4  25.512   7.528  -6.700
   27    HG   LEU   4           HG       LEU   4  26.389   4.921  -6.585
   28   1HD1  LEU   4          HD11      LEU   4  27.313   5.364  -8.957
   29   2HD1  LEU   4          HD13      LEU   4  28.481   6.424  -8.174
   30   3HD1  LEU   4          HD12      LEU   4  28.443   4.709  -7.776
   31   1HD2  LEU   4          HD22      LEU   4  27.981   7.461  -6.080
   32   2HD2  LEU   4          HD21      LEU   4  26.854   6.715  -4.951
   33   3HD2  LEU   4          HD23      LEU   4  28.343   5.882  -5.388
   34    H    GLU   5           HN       GLU   5  22.697   5.367  -9.440
   35    HA   GLU   5           HA       GLU   5  21.304   7.977  -9.228
   36   1HB   GLU   5           HB2      GLU   5  22.205   6.820 -11.879
   37   2HB   GLU   5           HB1      GLU   5  21.310   8.318 -11.643
   38   1HG   GLU   5           HG2      GLU   5  23.249   9.117 -10.196
   39   2HG   GLU   5           HG1      GLU   5  24.145   7.706 -10.754
   40    H    GLU   6           HN       GLU   6  21.037   4.828  -8.968
   41    HA   GLU   6           HA       GLU   6  18.557   4.498 -10.566
   42   1HB   GLU   6           HB2      GLU   6  20.482   2.675  -9.224
   43   2HB   GLU   6           HB1      GLU   6  18.805   2.142  -9.283
   44   1HG   GLU   6           HG2      GLU   6  20.174   3.212 -11.754
   45   2HG   GLU   6           HG1      GLU   6  20.343   1.521 -11.288
   46    H    GLN   7           HN       GLN   7  17.077   5.773  -9.452
   47    HA   GLN   7           HA       GLN   7  16.668   5.225  -6.564
   48   1HB   GLN   7           HB2      GLN   7  16.434   7.529  -8.151
   49   2HB   GLN   7           HB1      GLN   7  14.780   7.087  -7.738
   50   1HG   GLN   7           HG2      GLN   7  15.500   6.889  -5.332
   51   2HG   GLN   7           HG1      GLN   7  17.081   7.510  -5.801
   52   1HE2  GLN   7          HE22      GLN   7  15.885  10.840  -6.387
   53   2HE2  GLN   7          HE21      GLN   7  17.087   9.730  -6.837
   54    H    ASN   8           HN       ASN   8  15.239   3.728  -5.966
   55    HA   ASN   8           HA       ASN   8  13.535   2.331  -7.770
   56   1HB   ASN   8           HB2      ASN   8  14.236   1.391  -5.607
   57   2HB   ASN   8           HB1      ASN   8  13.292   2.616  -4.763
   58   1HD2  ASN   8          HD22      ASN   8  10.697   0.511  -7.019
   59   2HD2  ASN   8          HD21      ASN   8  11.834   1.572  -7.697
   60    H    ASN   9           HN       ASN   9  12.154   4.008  -4.992
   61    HA   ASN   9           HA       ASN   9  10.612   5.892  -6.545
   62   1HB   ASN   9           HB2      ASN   9   9.546   3.639  -7.120
   63   2HB   ASN   9           HB1      ASN   9   8.999   3.586  -5.446
   64   1HD2  ASN   9          HD22      ASN   9   7.472   6.526  -7.896
   65   2HD2  ASN   9          HD21      ASN   9   9.031   5.925  -8.197
   66    H    ASP  10           HN       ASP  10   9.620   3.902  -3.777
   67    HA   ASP  10           HA       ASP  10  10.259   6.065  -1.892
   68   1HB   ASP  10           HB2      ASP  10   7.374   5.227  -2.291
   69   2HB   ASP  10           HB1      ASP  10   7.970   6.432  -1.152
   70    H    ALA  11           HN       ALA  11   8.239   5.066   0.009
   71    HA   ALA  11           HA       ALA  11   9.811   2.970   1.207
   72   1HB   ALA  11           HB3      ALA  11   7.342   4.450   1.844
   73   2HB   ALA  11           HB2      ALA  11   7.400   2.814   2.492
   74   3HB   ALA  11           HB1      ALA  11   8.666   3.968   2.900
   75    H    LEU  12           HN       LEU  12   6.348   2.680   0.546
   76    HA   LEU  12           HA       LEU  12   6.385  -0.146   0.288
   77   1HB   LEU  12           HB2      LEU  12   4.437   1.757  -1.035
   78   2HB   LEU  12           HB1      LEU  12   4.146   0.070  -0.629
   79    HG   LEU  12           HG       LEU  12   4.760   2.274   1.375
   80   1HD1  LEU  12          HD13      LEU  12   2.505   2.465   0.363
   81   2HD1  LEU  12          HD12      LEU  12   2.182   0.784   0.778
   82   3HD1  LEU  12          HD11      LEU  12   2.404   1.979   2.052
   83   1HD2  LEU  12          HD22      LEU  12   4.424  -0.701   1.558
   84   2HD2  LEU  12          HD21      LEU  12   5.514   0.354   2.450
   85   3HD2  LEU  12          HD23      LEU  12   3.808   0.288   2.877
   86    H    SER  13           HN       SER  13   5.006  -0.577  -2.166
   87    HA   SER  13           HA       SER  13   7.048   0.106  -4.212
   88   1HB   SER  13           HB2      SER  13   7.822  -2.027  -4.279
   89   2HB   SER  13           HB1      SER  13   6.663  -2.488  -3.017
   90    HG   SER  13           HG1      SER  13   5.087  -2.721  -4.587
   91    HA   PRO  14           HA       PRO  14   3.775   0.760  -7.055
   92   1HB   PRO  14           HB2      PRO  14   4.622  -1.080  -9.099
   93   2HB   PRO  14           HB1      PRO  14   4.784   0.676  -9.079
   94   1HG   PRO  14           HG2      PRO  14   6.866  -1.308  -8.670
   95   2HG   PRO  14           HG1      PRO  14   7.038   0.448  -8.704
   96   1HD   PRO  14           HD1      PRO  14   7.214  -1.262  -6.411
   97   2HD   PRO  14           HD2      PRO  14   7.258   0.508  -6.436
   98    H    ALA  15           HN       ALA  15   4.699  -2.585  -6.486
   99    HA   ALA  15           HA       ALA  15   2.451  -3.938  -7.495
  100   1HB   ALA  15           HB3      ALA  15   4.394  -4.443  -5.299
  101   2HB   ALA  15           HB2      ALA  15   2.917  -5.401  -5.287
  102   3HB   ALA  15           HB1      ALA  15   3.985  -5.448  -6.685
  103    H    ILE  16           HN       ILE  16   2.619  -1.659  -4.991
  104    HA   ILE  16           HA       ILE  16   0.460  -2.524  -3.323
  105    HB   ILE  16           HB       ILE  16   2.179  -0.639  -2.912
  106   1HG1  ILE  16          HG12      ILE  16  -0.788  -0.348  -2.345
  107   2HG1  ILE  16          HG11      ILE  16   0.433  -1.065  -1.300
  108   1HG2  ILE  16          HG21      ILE  16   1.421   0.467  -5.145
  109   2HG2  ILE  16          HG23      ILE  16   0.062   1.077  -4.206
  110   3HG2  ILE  16          HG22      ILE  16   1.708   1.514  -3.761
  111   1HD1  ILE  16           HD1      ILE  16   1.586   1.275  -1.435
  112   2HD1  ILE  16           HD3      ILE  16   0.013   1.843  -1.986
  113   3HD1  ILE  16           HD2      ILE  16   0.175   1.099  -0.398
  114    NH1  ARG  17           NH1      ARG  17  -1.609   5.419  -8.769
  115    NH2  ARG  17           NH2      ARG  17  -2.009   5.928  -6.577
  116    H    ARG  17           HN       ARG  17   0.569  -0.788  -6.360
  117    HA   ARG  17           HA       ARG  17  -2.220   0.015  -6.316
  118   1HB   ARG  17           HB2      ARG  17  -0.247  -0.239  -8.602
  119   2HB   ARG  17           HB1      ARG  17  -1.844   0.485  -8.742
  120   1HG   ARG  17           HG2      ARG  17  -0.277   1.536  -6.484
  121   2HG   ARG  17           HG1      ARG  17   0.456   1.851  -8.052
  122   1HD   ARG  17           HD2      ARG  17  -1.591   2.897  -8.861
  123   2HD   ARG  17           HD1      ARG  17  -2.453   2.439  -7.395
  124    HE   ARG  17           HE       ARG  17  -0.350   3.952  -6.436
  125   1HH1  ARG  17          HH11      ARG  17  -1.253   4.777  -9.447
  126   2HH1  ARG  17          HH12      ARG  17  -2.005   6.289  -9.063
  127   1HH2  ARG  17          HH21      ARG  17  -1.953   5.667  -5.613
  128   2HH2  ARG  17          HH22      ARG  17  -2.412   6.806  -6.835
  129    NH1  ARG  18           NH1      ARG  18   0.114  -4.278 -14.306
  130    NH2  ARG  18           NH2      ARG  18  -1.959  -3.344 -14.071
  131    H    ARG  18           HN       ARG  18  -0.470  -2.417  -8.244
  132    HA   ARG  18           HA       ARG  18  -2.748  -3.660  -9.371
  133   1HB   ARG  18           HB2      ARG  18  -0.249  -5.155  -8.574
  134   2HB   ARG  18           HB1      ARG  18  -1.311  -5.472  -9.941
  135   1HG   ARG  18           HG2      ARG  18  -0.580  -2.839 -10.361
  136   2HG   ARG  18           HG1      ARG  18   0.893  -3.535  -9.694
  137   1HD   ARG  18           HD2      ARG  18   1.026  -3.901 -12.060
  138   2HD   ARG  18           HD1      ARG  18   0.565  -5.457 -11.371
  139    HE   ARG  18           HE       ARG  18  -1.841  -4.742 -11.973
  140   1HH1  ARG  18          HH11      ARG  18   0.871  -4.794 -13.906
  141   2HH1  ARG  18          HH12      ARG  18   0.169  -3.964 -15.255
  142   1HH2  ARG  18          HH21      ARG  18  -2.754  -3.161 -13.495
  143   2HH2  ARG  18          HH22      ARG  18  -1.938  -3.014 -15.015
  144    H    LEU  19           HN       LEU  19  -1.455  -3.820  -6.175
  145    HA   LEU  19           HA       LEU  19  -2.443  -6.306  -5.273
  146   1HB   LEU  19           HB2      LEU  19  -1.040  -4.512  -4.026
  147   2HB   LEU  19           HB1      LEU  19  -2.594  -3.823  -3.573
  148    HG   LEU  19           HG       LEU  19  -3.069  -6.427  -2.987
  149   1HD1  LEU  19          HD11      LEU  19  -0.677  -6.955  -3.680
  150   2HD1  LEU  19          HD13      LEU  19  -0.147  -6.008  -2.293
  151   3HD1  LEU  19          HD12      LEU  19  -1.103  -7.466  -2.049
  152   1HD2  LEU  19          HD21      LEU  19  -1.667  -4.368  -1.250
  153   2HD2  LEU  19          HD23      LEU  19  -3.405  -4.565  -1.439
  154   3HD2  LEU  19          HD22      LEU  19  -2.461  -5.811  -0.629
  155    H    LEU  20           HN       LEU  20  -4.171  -3.751  -6.552
  156    HA   LEU  20           HA       LEU  20  -6.627  -4.291  -4.987
  157   1HB   LEU  20           HB2      LEU  20  -5.841  -2.252  -7.051
  158   2HB   LEU  20           HB1      LEU  20  -7.538  -2.514  -6.664
  159    HG   LEU  20           HG       LEU  20  -5.679  -2.230  -4.352
  160   1HD1  LEU  20          HD11      LEU  20  -6.440   0.044  -6.213
  161   2HD1  LEU  20          HD13      LEU  20  -5.884   0.291  -4.560
  162   3HD1  LEU  20          HD12      LEU  20  -4.815  -0.450  -5.747
  163   1HD2  LEU  20          HD21      LEU  20  -8.148  -2.570  -4.143
  164   2HD2  LEU  20          HD23      LEU  20  -7.622  -1.050  -3.429
  165   3HD2  LEU  20          HD22      LEU  20  -8.405  -1.058  -5.006
  166    H    ALA  21           HN       ALA  21  -5.234  -4.880  -8.134
  167    HA   ALA  21           HA       ALA  21  -7.768  -6.045  -9.132
  168   1HB   ALA  21           HB1      ALA  21  -5.064  -5.660 -10.444
  169   2HB   ALA  21           HB3      ALA  21  -6.467  -6.360 -11.247
  170   3HB   ALA  21           HB2      ALA  21  -6.507  -4.684 -10.705
  171    H    GLU  22           HN       GLU  22  -4.810  -7.003  -7.683
  172    HA   GLU  22           HA       GLU  22  -4.728  -9.712  -8.697
  173   1HB   GLU  22           HB2      GLU  22  -2.716  -8.758  -7.771
  174   2HB   GLU  22           HB1      GLU  22  -3.519  -8.425  -6.240
  175   1HG   GLU  22           HG2      GLU  22  -3.555 -10.683  -5.617
  176   2HG   GLU  22           HG1      GLU  22  -3.452 -11.247  -7.283
  177    H    HIS  23           HN       HIS  23  -6.924  -8.195  -6.754
  178    HA   HIS  23           HA       HIS  23  -7.798 -10.800  -5.581
  179   1HB   HIS  23           HB2      HIS  23  -7.797  -8.132  -4.144
  180   2HB   HIS  23           HB1      HIS  23  -8.429  -9.644  -3.499
  181    HD1  HIS  23           HD1      HIS  23  -6.319 -11.545  -3.946
  182    HD2  HIS  23           HD2      HIS  23  -5.337  -7.710  -3.053
  183    HE1  HIS  23           HE1      HIS  23  -4.050 -11.664  -3.093
  184    H    ASN  24           HN       ASN  24  -8.564  -8.882  -7.864
  185    HA   ASN  24           HA       ASN  24 -10.551  -8.024  -8.802
  186   1HB   ASN  24           HB2      ASN  24 -11.518 -10.415  -7.222
  187   2HB   ASN  24           HB1      ASN  24 -12.549  -9.519  -8.336
  188   1HD2  ASN  24          HD22      ASN  24 -10.215 -12.337  -9.844
  189   2HD2  ASN  24          HD21      ASN  24 -10.715 -12.244  -8.225
  190    H    LEU  25           HN       LEU  25  -9.954  -6.285  -6.982
  191    HA   LEU  25           HA       LEU  25 -12.533  -5.733  -5.607
  192   1HB   LEU  25           HB2      LEU  25  -9.840  -6.016  -4.339
  193   2HB   LEU  25           HB1      LEU  25 -10.930  -4.791  -3.703
  194    HG   LEU  25           HG       LEU  25 -11.902  -7.613  -4.180
  195   1HD1  LEU  25          HD11      LEU  25 -10.525  -6.547  -1.690
  196   2HD1  LEU  25          HD13      LEU  25 -11.331  -8.107  -1.815
  197   3HD1  LEU  25          HD12      LEU  25  -9.884  -7.785  -2.766
  198   1HD2  LEU  25          HD21      LEU  25 -13.183  -5.289  -3.413
  199   2HD2  LEU  25          HD23      LEU  25 -13.756  -6.912  -3.046
  200   3HD2  LEU  25          HD22      LEU  25 -12.806  -6.025  -1.859
  201    H    ASP  26           HN       ASP  26 -12.917  -4.143  -7.186
  202    HA   ASP  26           HA       ASP  26 -11.036  -2.097  -7.891
  203   1HB   ASP  26           HB2      ASP  26 -14.064  -2.102  -7.989
  204   2HB   ASP  26           HB1      ASP  26 -13.043  -0.885  -8.751
  205    H    ALA  27           HN       ALA  27 -10.504  -0.224  -6.913
  206    HA   ALA  27           HA       ALA  27 -11.095   0.243  -4.176
  207   1HB   ALA  27           HB1      ALA  27  -9.428   1.384  -6.098
  208   2HB   ALA  27           HB3      ALA  27 -10.506   2.697  -5.633
  209   3HB   ALA  27           HB2      ALA  27  -9.547   1.869  -4.409
  210    H    SER  28           HN       SER  28 -12.984   0.800  -6.947
  211    HA   SER  28           HA       SER  28 -14.470   3.095  -6.367
  212   1HB   SER  28           HB2      SER  28 -16.442   1.467  -7.297
  213   2HB   SER  28           HB1      SER  28 -15.195   2.156  -8.356
  214    HG   SER  28           HG1      SER  28 -14.486   0.203  -8.607
  215    H    ALA  29           HN       ALA  29 -14.439   0.054  -4.714
  216    HA   ALA  29           HA       ALA  29 -16.870   0.741  -3.164
  217   1HB   ALA  29           HB1      ALA  29 -15.063  -1.691  -3.096
  218   2HB   ALA  29           HB3      ALA  29 -16.522  -1.501  -2.130
  219   3HB   ALA  29           HB2      ALA  29 -16.633  -1.582  -3.884
  220    H    ILE  30           HN       ILE  30 -13.448   0.896  -2.950
  221    HA   ILE  30           HA       ILE  30 -13.519   1.241  -0.004
  222    HB   ILE  30           HB       ILE  30 -11.134   1.330  -1.872
  223   1HG1  ILE  30          HG12      ILE  30 -12.211  -0.836  -2.116
  224   2HG1  ILE  30          HG11      ILE  30 -10.772  -1.050  -1.135
  225   1HG2  ILE  30          HG22      ILE  30 -11.512   1.485   1.076
  226   2HG2  ILE  30          HG21      ILE  30 -10.202   0.449   0.529
  227   3HG2  ILE  30          HG23      ILE  30 -10.231   2.146   0.071
  228   1HD1  ILE  30           HD1      ILE  30 -12.423  -0.667   0.888
  229   2HD1  ILE  30           HD3      ILE  30 -13.665  -1.082  -0.286
  230   3HD1  ILE  30           HD2      ILE  30 -12.392  -2.235   0.092
  231    H    LYS  31           HN       LYS  31 -12.550   3.130   0.973
  232    HA   LYS  31           HA       LYS  31 -13.000   5.574  -0.679
  233   1HB   LYS  31           HB2      LYS  31 -13.974   4.927   1.793
  234   2HB   LYS  31           HB1      LYS  31 -12.559   5.881   2.219
  235   1HG   LYS  31           HG2      LYS  31 -13.342   7.669   0.652
  236   2HG   LYS  31           HG1      LYS  31 -14.798   6.728   0.351
  237   1HD   LYS  31           HD2      LYS  31 -15.732   7.646   2.189
  238   2HD   LYS  31           HD1      LYS  31 -14.494   6.872   3.172
  239   1HE   LYS  31           HE2      LYS  31 -14.516   9.337   3.500
  240   2HE   LYS  31           HE1      LYS  31 -12.988   8.785   2.823
  241   1HZ   LYS  31           HZ2      LYS  31 -14.664   9.298   0.682
  242   2HZ   LYS  31           HZ1      LYS  31 -14.846  10.609   1.746
  243   3HZ   LYS  31           HZ3      LYS  31 -13.304  10.189   1.170
  244    H    GLY  32           HN       GLY  32 -11.572   7.479   0.278
  245   1HA   GLY  32           HA2      GLY  32  -8.815   6.574   0.859
  246   2HA   GLY  32           HA1      GLY  32  -9.050   7.462  -0.644
  247    H    THR  33           HN       THR  33  -7.363   8.478   1.253
  248    HA   THR  33           HA       THR  33  -8.821  10.943   2.035
  249    HB   THR  33           HB       THR  33  -7.594  10.848   4.303
  250    HG1  THR  33           HG1      THR  33  -6.685   8.698   2.961
  251   1HG2  THR  33          HG22      THR  33 -10.047  10.113   3.964
  252   2HG2  THR  33          HG21      THR  33  -9.423   8.472   3.826
  253   3HG2  THR  33          HG23      THR  33  -9.210   9.371   5.325
  254    H    GLY  34           HN       GLY  34  -5.591   9.572   2.628
  255   1HA   GLY  34           HA2      GLY  34  -3.476  10.553   2.284
  256   2HA   GLY  34           HA1      GLY  34  -4.122  10.917   0.686
  257    H    VAL  35           HN       VAL  35  -2.542  12.780   1.162
  258    HA   VAL  35           HA       VAL  35  -3.400  14.847   3.002
  259    HB   VAL  35           HB       VAL  35  -1.458  14.806   0.689
  260   1HG1  VAL  35          HG11      VAL  35  -2.444  17.087   2.396
  261   2HG1  VAL  35          HG13      VAL  35  -0.783  17.084   1.809
  262   3HG1  VAL  35          HG12      VAL  35  -2.121  17.063   0.664
  263   1HG2  VAL  35          HG23      VAL  35  -1.094  13.703   3.051
  264   2HG2  VAL  35          HG22      VAL  35   0.191  14.683   2.355
  265   3HG2  VAL  35          HG21      VAL  35  -0.864  15.363   3.588
  266    H    GLY  36           HN       GLY  36  -4.133  14.033  -0.296
  267   1HA   GLY  36           HA2      GLY  36  -6.120  16.244  -0.339
  268   2HA   GLY  36           HA1      GLY  36  -4.977  16.139  -1.675
  269    H    GLY  37           HN       GLY  37  -6.353  13.372  -0.010
  270   1HA   GLY  37           HA2      GLY  37  -8.194  11.996  -0.743
  271   2HA   GLY  37           HA1      GLY  37  -8.219  12.887  -2.262
  272    NH1  ARG  38           NH2      ARG  38   1.027   8.634  -4.472
  273    NH2  ARG  38           NH1      ARG  38   1.750   8.204  -2.348
  274    H    ARG  38           HN       ARG  38  -5.360  11.503  -0.747
  275    HA   ARG  38           HA       ARG  38  -4.937   9.880  -3.199
  276   1HB   ARG  38           HB2      ARG  38  -3.213  11.450  -1.795
  277   2HB   ARG  38           HB1      ARG  38  -2.876   9.878  -1.079
  278   1HG   ARG  38           HG2      ARG  38  -2.699   8.969  -3.457
  279   2HG   ARG  38           HG1      ARG  38  -2.735  10.640  -4.010
  280   1HD   ARG  38           HD2      ARG  38  -0.485  10.643  -3.689
  281   2HD   ARG  38           HD1      ARG  38  -0.842  10.675  -1.963
  282    HE   ARG  38           HE       ARG  38  -0.903   8.047  -2.299
  283   1HH1  ARG  38          HH21      ARG  38   0.281   8.888  -5.088
  284   2HH1  ARG  38          HH22      ARG  38   1.941   8.460  -4.839
  285   1HH2  ARG  38          HH11      ARG  38   1.546   8.133  -1.371
  286   2HH2  ARG  38          HH12      ARG  38   2.676   8.022  -2.678
  287    H    LEU  39           HN       LEU  39  -4.878   7.677  -3.187
  288    HA   LEU  39           HA       LEU  39  -6.113   6.300  -0.955
  289   1HB   LEU  39           HB2      LEU  39  -6.043   5.746  -3.565
  290   2HB   LEU  39           HB1      LEU  39  -4.646   4.798  -3.079
  291    HG   LEU  39           HG       LEU  39  -6.097   3.753  -1.270
  292   1HD1  LEU  39          HD13      LEU  39  -7.952   5.731  -2.273
  293   2HD1  LEU  39          HD12      LEU  39  -8.624   4.125  -2.525
  294   3HD1  LEU  39          HD11      LEU  39  -8.148   4.636  -0.910
  295   1HD2  LEU  39          HD21      LEU  39  -6.962   3.389  -4.159
  296   2HD2  LEU  39          HD23      LEU  39  -5.591   2.595  -3.393
  297   3HD2  LEU  39          HD22      LEU  39  -7.229   2.229  -2.863
  298    H    THR  40           HN       THR  40  -5.200   4.905   0.523
  299    HA   THR  40           HA       THR  40  -2.220   4.677   0.528
  300    HB   THR  40           HB       THR  40  -2.425   4.992   3.108
  301    HG1  THR  40           HG1      THR  40  -4.380   6.259   3.507
  302   1HG2  THR  40          HG21      THR  40  -2.733   7.097   0.999
  303   2HG2  THR  40          HG23      THR  40  -3.059   7.582   2.660
  304   3HG2  THR  40          HG22      THR  40  -1.480   6.935   2.224
  305    NH1  ARG  41           NH2      ARG  41  -0.059  -2.135   6.136
  306    NH2  ARG  41           NH1      ARG  41   0.954  -4.106   5.581
  307    H    ARG  41           HN       ARG  41  -1.669   3.115   2.515
  308    HA   ARG  41           HA       ARG  41  -3.059   0.605   1.867
  309   1HB   ARG  41           HB2      ARG  41  -0.607   0.630   2.065
  310   2HB   ARG  41           HB1      ARG  41  -0.740   1.168   3.735
  311   1HG   ARG  41           HG2      ARG  41  -1.764  -0.889   4.416
  312   2HG   ARG  41           HG1      ARG  41  -2.042  -1.383   2.750
  313   1HD   ARG  41           HD2      ARG  41   0.340  -1.653   2.365
  314   2HD   ARG  41           HD1      ARG  41   0.721  -0.946   3.934
  315    HE   ARG  41           HE       ARG  41  -0.457  -3.646   3.507
  316   1HH1  ARG  41          HH21      ARG  41  -0.586  -1.333   5.853
  317   2HH1  ARG  41          HH22      ARG  41   0.218  -2.239   7.091
  318   1HH2  ARG  41          HH11      ARG  41   1.185  -4.783   4.881
  319   2HH2  ARG  41          HH12      ARG  41   1.248  -4.244   6.527
  320    H    GLU  42           HN       GLU  42  -3.276   3.037   4.227
  321    HA   GLU  42           HA       GLU  42  -4.317   1.302   6.351
  322   1HB   GLU  42           HB2      GLU  42  -3.741   4.195   6.016
  323   2HB   GLU  42           HB1      GLU  42  -5.015   3.780   7.156
  324   1HG   GLU  42           HG2      GLU  42  -2.696   3.873   8.176
  325   2HG   GLU  42           HG1      GLU  42  -3.523   2.335   8.403
  326    H    ASP  43           HN       ASP  43  -5.564   1.925   3.514
  327    HA   ASP  43           HA       ASP  43  -8.360   2.151   4.561
  328   1HB   ASP  43           HB2      ASP  43  -7.054   3.602   2.277
  329   2HB   ASP  43           HB1      ASP  43  -8.784   3.277   2.239
  330    H    VAL  44           HN       VAL  44  -6.142   0.815   2.224
  331    HA   VAL  44           HA       VAL  44  -8.296  -0.831   1.017
  332    HB   VAL  44           HB       VAL  44  -5.355  -0.558   0.339
  333   1HG1  VAL  44          HG12      VAL  44  -7.604  -2.174  -0.895
  334   2HG1  VAL  44          HG11      VAL  44  -6.127  -1.780  -1.770
  335   3HG1  VAL  44          HG13      VAL  44  -6.051  -2.766  -0.312
  336   1HG2  VAL  44          HG22      VAL  44  -7.232   1.298  -0.099
  337   2HG2  VAL  44          HG21      VAL  44  -6.001   0.943  -1.308
  338   3HG2  VAL  44          HG23      VAL  44  -7.611   0.244  -1.458
  339    H    GLU  45           HN       GLU  45  -5.775  -1.025   3.342
  340    HA   GLU  45           HA       GLU  45  -5.456  -3.922   3.221
  341   1HB   GLU  45           HB2      GLU  45  -3.645  -2.497   4.070
  342   2HB   GLU  45           HB1      GLU  45  -4.686  -1.932   5.372
  343   1HG   GLU  45           HG2      GLU  45  -4.521  -3.909   6.546
  344   2HG   GLU  45           HG1      GLU  45  -4.406  -4.886   5.085
  345    H    LYS  46           HN       LYS  46  -6.996  -1.692   5.530
  346    HA   LYS  46           HA       LYS  46  -8.068  -3.484   7.352
  347   1HB   LYS  46           HB2      LYS  46  -9.548  -1.127   6.154
  348   2HB   LYS  46           HB1      LYS  46  -9.890  -1.884   7.706
  349   1HG   LYS  46           HG2      LYS  46  -7.297  -1.394   8.112
  350   2HG   LYS  46           HG1      LYS  46  -7.589  -0.139   6.912
  351   1HD   LYS  46           HD2      LYS  46  -9.610   0.553   8.320
  352   2HD   LYS  46           HD1      LYS  46  -8.988  -0.515   9.573
  353   1HE   LYS  46           HE2      LYS  46  -7.726   1.980   8.437
  354   2HE   LYS  46           HE1      LYS  46  -8.053   1.589  10.120
  355   1HZ   LYS  46           HZ2      LYS  46  -6.102   0.135   8.428
  356   2HZ   LYS  46           HZ1      LYS  46  -5.693   1.401   9.484
  357   3HZ   LYS  46           HZ3      LYS  46  -6.341  -0.043  10.100
  358    H    HIS  47           HN       HIS  47  -8.989  -3.022   4.038
  359    HA   HIS  47           HA       HIS  47 -11.516  -4.446   4.229
  360   1HB   HIS  47           HB2      HIS  47 -10.647  -2.772   2.395
  361   2HB   HIS  47           HB1      HIS  47  -9.957  -4.224   1.675
  362    HD1  HIS  47           HD1      HIS  47 -13.280  -3.079   2.875
  363    HD2  HIS  47           HD2      HIS  47 -11.726  -5.698   0.196
  364    HE1  HIS  47           HE1      HIS  47 -15.200  -3.963   1.683
  365    H    LEU  48           HN       LEU  48  -8.329  -5.288   2.889
  366    HA   LEU  48           HA       LEU  48  -9.083  -8.088   2.557
  367   1HB   LEU  48           HB2      LEU  48  -6.503  -6.555   2.263
  368   2HB   LEU  48           HB1      LEU  48  -6.552  -8.309   2.117
  369    HG   LEU  48           HG       LEU  48  -8.593  -6.765   0.578
  370   1HD1  LEU  48          HD13      LEU  48  -5.657  -6.936  -0.191
  371   2HD1  LEU  48          HD12      LEU  48  -6.949  -6.409  -1.265
  372   3HD1  LEU  48          HD11      LEU  48  -6.550  -5.459   0.163
  373   1HD2  LEU  48          HD21      LEU  48  -8.406  -9.275   0.602
  374   2HD2  LEU  48          HD23      LEU  48  -8.237  -8.584  -1.009
  375   3HD2  LEU  48          HD22      LEU  48  -6.810  -9.121  -0.128
  376    H    ALA  49           HN       ALA  49  -9.530  -7.303   5.187
  377    HA   ALA  49           HA       ALA  49  -7.259  -8.232   6.814
  378   1HB   ALA  49           HB3      ALA  49  -9.904  -6.979   7.322
  379   2HB   ALA  49           HB2      ALA  49  -9.280  -8.027   8.592
  380   3HB   ALA  49           HB1      ALA  49  -8.341  -6.637   8.056
  381    H    LYS  50           HN       LYS  50  -8.198  -9.745   8.749
  382    HA   LYS  50           HA       LYS  50  -8.736 -12.289   7.423
  383   1HB   LYS  50           HB2      LYS  50  -8.777 -13.118   9.852
  384   2HB   LYS  50           HB1      LYS  50  -7.268 -12.413   9.285
  385   1HG   LYS  50           HG2      LYS  50  -9.150 -10.430  10.377
  386   2HG   LYS  50           HG1      LYS  50  -8.623 -11.623  11.560
  387   1HD   LYS  50           HD2      LYS  50  -6.286 -11.133  11.097
  388   2HD   LYS  50           HD1      LYS  50  -6.729 -10.076   9.762
  389   1HE   LYS  50           HE2      LYS  50  -8.018  -8.668  11.438
  390   2HE   LYS  50           HE1      LYS  50  -7.292  -9.642  12.710
  391   1HZ   LYS  50           HZ1      LYS  50  -5.093  -9.017  11.727
  392   2HZ   LYS  50           HZ3      LYS  50  -5.918  -7.886  10.766
  393   3HZ   LYS  50           HZ2      LYS  50  -5.951  -7.748  12.459
  394    H    ALA  51           HN       ALA  51 -10.427 -13.739   8.697
  395    HA   ALA  51           HA       ALA  51 -12.997 -13.016   7.949
  396   1HB   ALA  51           HB3      ALA  51 -11.843 -15.085   9.476
  397   2HB   ALA  51           HB2      ALA  51 -13.145 -14.429  10.464
  398   3HB   ALA  51           HB1      ALA  51 -13.483 -15.024   8.841
   
 Raw file had 398 H/Q atoms
  Start of MODEL    4
    1    OH   TYR   1           OH       TYR   1  21.967  -6.587  -7.422
    2   1H    TYR   1           HT1      TYR   1  24.822   1.201  -6.970
    3   2H    TYR   1           HT3      TYR   1  26.114   0.149  -6.640
    4   3H    TYR   1           HT2      TYR   1  25.859   0.710  -8.223
    5    HA   TYR   1           HA       TYR   1  23.926  -0.558  -8.499
    6   1HB   TYR   1           HB2      TYR   1  25.794  -1.998  -8.808
    7   2HB   TYR   1           HB1      TYR   1  26.116  -2.079  -7.078
    8    HD1  TYR   1           HD1      TYR   1  23.349  -2.811  -9.501
    9    HD2  TYR   1           HD2      TYR   1  25.324  -3.952  -5.911
   10    HE1  TYR   1           HE1      TYR   1  21.895  -4.778  -9.327
   11    HE2  TYR   1           HE2      TYR   1  23.871  -5.919  -5.738
   12    HH   TYR   1           HH       TYR   1  21.229  -6.361  -6.851
   13    H    ALA   2           HN       ALA   2  24.533   0.412  -5.376
   14    HA   ALA   2           HA       ALA   2  21.970  -0.790  -4.467
   15   1HB   ALA   2           HB2      ALA   2  24.619  -1.003  -3.023
   16   2HB   ALA   2           HB1      ALA   2  23.071  -1.269  -2.228
   17   3HB   ALA   2           HB3      ALA   2  23.575  -2.319  -3.549
   18    H    SER   3           HN       SER   3  21.011   1.243  -4.562
   19    HA   SER   3           HA       SER   3  21.711   3.020  -2.312
   20   1HB   SER   3           HB2      SER   3  23.045   4.062  -4.018
   21   2HB   SER   3           HB1      SER   3  21.734   3.921  -5.206
   22    HG   SER   3           HG1      SER   3  21.049   5.104  -2.808
   23    H    LEU   4           HN       LEU   4  19.522   1.716  -4.540
   24    HA   LEU   4           HA       LEU   4  17.277   2.979  -3.082
   25   1HB   LEU   4           HB2      LEU   4  17.943   4.281  -5.252
   26   2HB   LEU   4           HB1      LEU   4  17.162   2.940  -6.084
   27    HG   LEU   4           HG       LEU   4  15.261   3.422  -4.248
   28   1HD1  LEU   4          HD11      LEU   4  16.769   5.300  -3.329
   29   2HD1  LEU   4          HD13      LEU   4  16.362   6.189  -4.794
   30   3HD1  LEU   4          HD12      LEU   4  15.095   5.731  -3.660
   31   1HD2  LEU   4          HD21      LEU   4  15.728   4.968  -6.820
   32   2HD2  LEU   4          HD23      LEU   4  14.875   3.436  -6.657
   33   3HD2  LEU   4          HD22      LEU   4  14.186   4.905  -5.973
   34    H    GLU   5           HN       GLU   5  18.682   0.269  -3.991
   35    HA   GLU   5           HA       GLU   5  16.139  -1.160  -4.667
   36   1HB   GLU   5           HB2      GLU   5  18.863  -1.381  -5.650
   37   2HB   GLU   5           HB1      GLU   5  18.278  -2.924  -5.041
   38   1HG   GLU   5           HG2      GLU   5  17.693  -2.640  -7.432
   39   2HG   GLU   5           HG1      GLU   5  16.241  -2.701  -6.437
   40    H    GLU   6           HN       GLU   6  17.616  -0.330  -2.027
   41    HA   GLU   6           HA       GLU   6  17.043  -2.917  -0.676
   42   1HB   GLU   6           HB2      GLU   6  19.578  -1.309  -0.267
   43   2HB   GLU   6           HB1      GLU   6  19.115  -2.732   0.657
   44   1HG   GLU   6           HG2      GLU   6  18.921  -3.878  -1.699
   45   2HG   GLU   6           HG1      GLU   6  19.942  -2.546  -2.234
   46    H    GLN   7           HN       GLN   7  17.003   0.481  -0.755
   47    HA   GLN   7           HA       GLN   7  16.817   1.158   1.992
   48   1HB   GLN   7           HB2      GLN   7  16.863   2.700  -0.083
   49   2HB   GLN   7           HB1      GLN   7  15.119   2.462  -0.130
   50   1HG   GLN   7           HG2      GLN   7  15.249   4.342   1.242
   51   2HG   GLN   7           HG1      GLN   7  15.298   3.063   2.453
   52   1HE2  GLN   7          HE22      GLN   7  18.416   5.553   2.132
   53   2HE2  GLN   7          HE21      GLN   7  16.916   5.832   1.388
   54    H    ASN   8           HN       ASN   8  15.635  -0.374   3.142
   55    HA   ASN   8           HA       ASN   8  12.896  -1.043   2.351
   56   1HB   ASN   8           HB2      ASN   8  14.485  -2.612   3.564
   57   2HB   ASN   8           HB1      ASN   8  14.235  -1.622   5.000
   58   1HD2  ASN   8          HD22      ASN   8  11.558  -3.872   5.647
   59   2HD2  ASN   8          HD21      ASN   8  13.140  -3.433   6.077
   60    H    ASN   9           HN       ASN   9  14.100   1.703   3.490
   61    HA   ASN   9           HA       ASN   9  12.263   2.221   5.706
   62   1HB   ASN   9           HB2      ASN   9  14.476   3.335   5.554
   63   2HB   ASN   9           HB1      ASN   9  13.944   4.156   4.088
   64   1HD2  ASN   9          HD22      ASN   9  11.323   5.304   6.888
   65   2HD2  ASN   9          HD21      ASN   9  11.292   3.776   6.149
   66    H    ASP  10           HN       ASP  10  11.000   1.351   3.283
   67    HA   ASP  10           HA       ASP  10   9.616   3.814   2.329
   68   1HB   ASP  10           HB2      ASP  10  10.580   2.134   0.682
   69   2HB   ASP  10           HB1      ASP  10   9.339   1.011   1.231
   70    H    ALA  11           HN       ALA  11   7.464   4.144   2.686
   71    HA   ALA  11           HA       ALA  11   6.203   2.588   4.803
   72   1HB   ALA  11           HB1      ALA  11   5.882   5.039   4.585
   73   2HB   ALA  11           HB3      ALA  11   5.040   4.777   3.061
   74   3HB   ALA  11           HB2      ALA  11   4.350   4.174   4.565
   75    H    LEU  12           HN       LEU  12   4.828   3.506   1.660
   76    HA   LEU  12           HA       LEU  12   3.201   1.070   1.632
   77   1HB   LEU  12           HB2      LEU  12   3.544   3.272  -0.418
   78   2HB   LEU  12           HB1      LEU  12   2.351   1.985  -0.519
   79    HG   LEU  12           HG       LEU  12   2.491   3.635   1.990
   80   1HD1  LEU  12          HD11      LEU  12   1.131   4.474  -0.594
   81   2HD1  LEU  12          HD13      LEU  12   0.911   5.262   0.966
   82   3HD1  LEU  12          HD12      LEU  12   2.483   5.300   0.174
   83   1HD2  LEU  12          HD21      LEU  12   0.937   1.536   1.275
   84   2HD2  LEU  12          HD23      LEU  12   0.368   2.810   2.346
   85   3HD2  LEU  12          HD22      LEU  12  -0.046   2.849   0.636
   86    H    SER  13           HN       SER  13   3.243  -0.484  -0.126
   87    HA   SER  13           HA       SER  13   6.017  -0.981  -1.022
   88   1HB   SER  13           HB2      SER  13   3.838  -2.658  -0.182
   89   2HB   SER  13           HB1      SER  13   4.355  -3.135  -1.810
   90    HG   SER  13           HG1      SER  13   6.149  -3.818  -0.975
   91    HA   PRO  14           HA       PRO  14   5.318  -0.056  -5.275
   92   1HB   PRO  14           HB2      PRO  14   6.332  -2.418  -6.466
   93   2HB   PRO  14           HB1      PRO  14   7.219  -0.926  -6.147
   94   1HG   PRO  14           HG2      PRO  14   7.386  -3.496  -4.728
   95   2HG   PRO  14           HG1      PRO  14   8.455  -2.099  -4.601
   96   1HD   PRO  14           HD1      PRO  14   6.528  -2.939  -2.675
   97   2HD   PRO  14           HD2      PRO  14   7.446  -1.421  -2.677
   98    H    ALA  15           HN       ALA  15   4.712  -3.519  -4.710
   99    HA   ALA  15           HA       ALA  15   2.926  -4.037  -6.792
  100   1HB   ALA  15           HB3      ALA  15   3.768  -5.370  -4.479
  101   2HB   ALA  15           HB2      ALA  15   2.012  -5.310  -4.354
  102   3HB   ALA  15           HB1      ALA  15   2.769  -6.033  -5.769
  103    H    ILE  16           HN       ILE  16   2.438  -1.941  -4.142
  104    HA   ILE  16           HA       ILE  16  -0.282  -2.064  -3.584
  105    HB   ILE  16           HB       ILE  16   1.352  -0.384  -2.655
  106   1HG1  ILE  16          HG12      ILE  16  -1.247   0.775  -3.737
  107   2HG1  ILE  16          HG11      ILE  16  -1.141  -0.275  -2.332
  108   1HG2  ILE  16          HG21      ILE  16   1.763   0.280  -5.283
  109   2HG2  ILE  16          HG23      ILE  16   0.652   1.550  -4.791
  110   3HG2  ILE  16          HG22      ILE  16   2.170   1.330  -3.932
  111   1HD1  ILE  16           HD1      ILE  16   0.401   2.326  -2.561
  112   2HD1  ILE  16           HD3      ILE  16  -1.177   2.204  -1.793
  113   3HD1  ILE  16           HD2      ILE  16   0.196   1.327  -1.128
  114    NH1  ARG  17           NH2      ARG  17   0.305   1.147 -12.279
  115    NH2  ARG  17           NH1      ARG  17  -1.130   2.828 -11.701
  116    H    ARG  17           HN       ARG  17   1.205  -1.279  -6.584
  117    HA   ARG  17           HA       ARG  17  -1.220  -0.032  -7.696
  118   1HB   ARG  17           HB2      ARG  17   1.440  -0.805  -8.912
  119   2HB   ARG  17           HB1      ARG  17   0.131  -0.078  -9.835
  120   1HG   ARG  17           HG2      ARG  17   0.816   1.301  -7.299
  121   2HG   ARG  17           HG1      ARG  17   2.049   1.373  -8.552
  122   1HD   ARG  17           HD2      ARG  17  -0.854   1.993  -9.146
  123   2HD   ARG  17           HD1      ARG  17   0.263   3.234  -8.584
  124    HE   ARG  17           HE       ARG  17   1.633   2.751 -10.628
  125   1HH1  ARG  17          HH21      ARG  17   1.145   0.636 -12.094
  126   2HH1  ARG  17          HH22      ARG  17  -0.267   0.903 -13.063
  127   1HH2  ARG  17          HH11      ARG  17  -1.365   3.578 -11.083
  128   2HH2  ARG  17          HH12      ARG  17  -1.725   2.613 -12.475
  129    NH1  ARG  18           NH2      ARG  18  -1.281  -7.565 -12.593
  130    NH2  ARG  18           NH1      ARG  18  -0.006  -7.109 -14.434
  131    H    ARG  18           HN       ARG  18   0.660  -2.998  -8.253
  132    HA   ARG  18           HA       ARG  18  -1.491  -4.105  -9.928
  133   1HB   ARG  18           HB2      ARG  18   1.147  -5.249  -8.984
  134   2HB   ARG  18           HB1      ARG  18   0.034  -6.095 -10.053
  135   1HG   ARG  18           HG2      ARG  18   0.796  -3.302 -10.798
  136   2HG   ARG  18           HG1      ARG  18   2.014  -4.555 -11.010
  137   1HD   ARG  18           HD2      ARG  18  -0.817  -4.696 -12.108
  138   2HD   ARG  18           HD1      ARG  18   0.606  -4.259 -13.053
  139    HE   ARG  18           HE       ARG  18   1.344  -6.679 -12.018
  140   1HH1  ARG  18          HH21      ARG  18  -1.440  -7.452 -11.613
  141   2HH1  ARG  18          HH22      ARG  18  -1.908  -8.119 -13.141
  142   1HH2  ARG  18          HH11      ARG  18   0.790  -6.654 -14.833
  143   2HH2  ARG  18          HH12      ARG  18  -0.612  -7.656 -15.013
  144    H    LEU  19           HN       LEU  19  -1.553  -3.586  -6.851
  145    HA   LEU  19           HA       LEU  19  -2.019  -6.266  -5.772
  146   1HB   LEU  19           HB2      LEU  19  -1.225  -4.131  -4.507
  147   2HB   LEU  19           HB1      LEU  19  -2.935  -3.721  -4.456
  148    HG   LEU  19           HG       LEU  19  -3.102  -6.290  -3.658
  149   1HD1  LEU  19          HD12      LEU  19  -0.587  -6.511  -3.852
  150   2HD1  LEU  19          HD11      LEU  19  -0.441  -5.336  -2.549
  151   3HD1  LEU  19          HD13      LEU  19  -1.217  -6.889  -2.252
  152   1HD2  LEU  19          HD22      LEU  19  -2.376  -3.884  -1.951
  153   2HD2  LEU  19          HD21      LEU  19  -3.997  -4.403  -2.400
  154   3HD2  LEU  19          HD23      LEU  19  -3.029  -5.388  -1.308
  155    H    LEU  20           HN       LEU  20  -4.056  -3.449  -6.515
  156    HA   LEU  20           HA       LEU  20  -6.538  -4.764  -5.910
  157   1HB   LEU  20           HB2      LEU  20  -5.786  -2.318  -7.487
  158   2HB   LEU  20           HB1      LEU  20  -7.449  -2.894  -7.480
  159    HG   LEU  20           HG       LEU  20  -6.064  -2.687  -4.840
  160   1HD1  LEU  20          HD11      LEU  20  -7.087  -0.308  -6.429
  161   2HD1  LEU  20          HD13      LEU  20  -6.687  -0.267  -4.715
  162   3HD1  LEU  20          HD12      LEU  20  -5.427  -0.573  -5.906
  163   1HD2  LEU  20          HD23      LEU  20  -8.494  -3.467  -5.385
  164   2HD2  LEU  20          HD22      LEU  20  -8.266  -2.337  -4.054
  165   3HD2  LEU  20          HD21      LEU  20  -8.828  -1.754  -5.618
  166    H    ALA  21           HN       ALA  21  -4.363  -5.153  -8.461
  167    HA   ALA  21           HA       ALA  21  -6.451  -6.080 -10.356
  168   1HB   ALA  21           HB2      ALA  21  -4.269  -4.684 -10.910
  169   2HB   ALA  21           HB1      ALA  21  -3.521  -6.278 -10.936
  170   3HB   ALA  21           HB3      ALA  21  -4.852  -5.912 -12.029
  171    H    GLU  22           HN       GLU  22  -4.539  -7.310  -7.893
  172    HA   GLU  22           HA       GLU  22  -4.293 -10.003  -9.099
  173   1HB   GLU  22           HB2      GLU  22  -2.407  -9.103  -7.781
  174   2HB   GLU  22           HB1      GLU  22  -3.454  -8.987  -6.372
  175   1HG   GLU  22           HG2      GLU  22  -3.781 -11.398  -6.344
  176   2HG   GLU  22           HG1      GLU  22  -2.917 -11.574  -7.869
  177    H    HIS  23           HN       HIS  23  -5.894  -8.395  -6.383
  178    HA   HIS  23           HA       HIS  23  -7.466 -10.863  -5.861
  179   1HB   HIS  23           HB2      HIS  23  -7.718  -8.324  -4.275
  180   2HB   HIS  23           HB1      HIS  23  -7.934  -9.989  -3.741
  181    HD1  HIS  23           HD1      HIS  23  -5.579 -11.337  -3.861
  182    HD2  HIS  23           HD2      HIS  23  -5.251  -7.295  -3.702
  183    HE1  HIS  23           HE1      HIS  23  -3.293 -10.923  -3.161
  184    H    ASN  24           HN       ASN  24  -7.699  -7.883  -7.471
  185    HA   ASN  24           HA       ASN  24  -9.503  -6.804  -8.524
  186   1HB   ASN  24           HB2      ASN  24 -10.991  -9.410  -8.193
  187   2HB   ASN  24           HB1      ASN  24 -11.157  -8.219  -9.481
  188   1HD2  ASN  24          HD22      ASN  24  -8.162  -9.273 -11.172
  189   2HD2  ASN  24          HD21      ASN  24  -9.139  -7.914 -10.883
  190    H    LEU  25           HN       LEU  25 -10.019  -5.345  -6.892
  191    HA   LEU  25           HA       LEU  25 -12.500  -6.012  -5.391
  192   1HB   LEU  25           HB2      LEU  25  -9.860  -5.238  -4.245
  193   2HB   LEU  25           HB1      LEU  25 -11.300  -4.558  -3.497
  194    HG   LEU  25           HG       LEU  25 -11.202  -7.504  -4.106
  195   1HD1  LEU  25          HD12      LEU  25 -10.010  -6.130  -1.671
  196   2HD1  LEU  25          HD11      LEU  25 -10.255  -7.867  -1.830
  197   3HD1  LEU  25          HD13      LEU  25  -9.114  -7.039  -2.885
  198   1HD2  LEU  25          HD22      LEU  25 -13.170  -5.927  -3.144
  199   2HD2  LEU  25          HD21      LEU  25 -12.983  -7.604  -2.640
  200   3HD2  LEU  25          HD23      LEU  25 -12.356  -6.305  -1.630
  201    H    ASP  26           HN       ASP  26 -13.905  -4.582  -6.203
  202    HA   ASP  26           HA       ASP  26 -13.282  -2.113  -7.428
  203   1HB   ASP  26           HB2      ASP  26 -15.839  -2.703  -5.918
  204   2HB   ASP  26           HB1      ASP  26 -15.631  -1.607  -7.282
  205    H    ALA  27           HN       ALA  27 -11.885  -0.825  -6.272
  206    HA   ALA  27           HA       ALA  27 -12.079  -0.264  -3.479
  207   1HB   ALA  27           HB2      ALA  27 -10.589   0.782  -5.783
  208   2HB   ALA  27           HB1      ALA  27 -10.914   1.995  -4.547
  209   3HB   ALA  27           HB3      ALA  27 -10.052   0.518  -4.126
  210    H    SER  28           HN       SER  28 -14.275   0.428  -5.803
  211    HA   SER  28           HA       SER  28 -15.031   3.108  -5.488
  212   1HB   SER  28           HB2      SER  28 -16.314   1.953  -7.078
  213   2HB   SER  28           HB1      SER  28 -16.617   0.592  -5.981
  214    HG   SER  28           HG1      SER  28 -17.407   3.184  -5.249
  215    H    ALA  29           HN       ALA  29 -15.750   0.345  -3.410
  216    HA   ALA  29           HA       ALA  29 -17.369   1.934  -1.572
  217   1HB   ALA  29           HB3      ALA  29 -16.955  -0.802  -2.038
  218   2HB   ALA  29           HB2      ALA  29 -16.319  -0.513  -0.423
  219   3HB   ALA  29           HB1      ALA  29 -17.986  -0.091  -0.802
  220    H    ILE  30           HN       ILE  30 -14.027   1.196  -1.964
  221    HA   ILE  30           HA       ILE  30 -13.374   2.029   0.800
  222    HB   ILE  30           HB       ILE  30 -11.499   1.259  -1.454
  223   1HG1  ILE  30          HG12      ILE  30 -13.001  -0.608  -1.047
  224   2HG1  ILE  30          HG11      ILE  30 -11.449  -0.987  -0.313
  225   1HG2  ILE  30          HG21      ILE  30 -11.125   2.153   1.303
  226   2HG2  ILE  30          HG23      ILE  30 -10.388   0.581   1.025
  227   3HG2  ILE  30          HG22      ILE  30  -9.935   1.953   0.025
  228   1HD1  ILE  30           HD2      ILE  30 -12.525   0.109   1.842
  229   2HD1  ILE  30           HD1      ILE  30 -14.042  -0.228   1.019
  230   3HD1  ILE  30           HD3      ILE  30 -12.942  -1.544   1.410
  231    H    LYS  31           HN       LYS  31 -13.343   4.162   1.150
  232    HA   LYS  31           HA       LYS  31 -13.040   6.139  -0.907
  233   1HB   LYS  31           HB2      LYS  31 -12.665   7.696   1.078
  234   2HB   LYS  31           HB1      LYS  31 -14.172   6.787   1.093
  235   1HG   LYS  31           HG2      LYS  31 -13.279   5.178   2.652
  236   2HG   LYS  31           HG1      LYS  31 -11.651   5.825   2.478
  237   1HD   LYS  31           HD2      LYS  31 -12.205   7.829   3.633
  238   2HD   LYS  31           HD1      LYS  31 -13.934   7.548   3.459
  239   1HE   LYS  31           HE2      LYS  31 -13.898   5.749   5.037
  240   2HE   LYS  31           HE1      LYS  31 -12.142   5.661   5.005
  241   1HZ   LYS  31           HZ2      LYS  31 -12.469   8.170   5.772
  242   2HZ   LYS  31           HZ1      LYS  31 -13.883   7.496   6.428
  243   3HZ   LYS  31           HZ3      LYS  31 -12.364   6.873   6.864
  244    H    GLY  32           HN       GLY  32 -11.279   7.794  -0.915
  245   1HA   GLY  32           HA2      GLY  32  -8.653   6.895   0.062
  246   2HA   GLY  32           HA1      GLY  32  -8.831   6.898  -1.691
  247    H    THR  33           HN       THR  33  -9.040   8.949   1.182
  248    HA   THR  33           HA       THR  33  -8.873  11.376  -0.508
  249    HB   THR  33           HB       THR  33  -8.994  12.497   1.858
  250    HG1  THR  33           HG1      THR  33  -8.825   9.817   2.295
  251   1HG2  THR  33          HG23      THR  33 -11.191  10.681   0.795
  252   2HG2  THR  33          HG22      THR  33 -11.434  11.795   2.137
  253   3HG2  THR  33          HG21      THR  33 -11.044  12.417   0.536
  254    H    GLY  34           HN       GLY  34  -6.619   9.797  -0.723
  255   1HA   GLY  34           HA2      GLY  34  -4.562  10.673   1.146
  256   2HA   GLY  34           HA1      GLY  34  -4.285   9.768  -0.340
  257    H    VAL  35           HN       VAL  35  -2.439  11.284  -0.526
  258    HA   VAL  35           HA       VAL  35  -2.805  14.094  -0.924
  259    HB   VAL  35           HB       VAL  35  -0.671  12.469  -2.301
  260   1HG1  VAL  35          HG12      VAL  35  -0.847  14.949  -2.669
  261   2HG1  VAL  35          HG11      VAL  35  -0.637  15.181  -0.937
  262   3HG1  VAL  35          HG13      VAL  35   0.661  14.474  -1.893
  263   1HG2  VAL  35          HG23      VAL  35  -0.978  13.147   0.635
  264   2HG2  VAL  35          HG22      VAL  35  -0.669  11.569  -0.082
  265   3HG2  VAL  35          HG21      VAL  35   0.590  12.800  -0.089
  266    H    GLY  36           HN       GLY  36  -4.004  15.005  -2.466
  267   1HA   GLY  36           HA2      GLY  36  -4.778  15.514  -4.633
  268   2HA   GLY  36           HA1      GLY  36  -3.588  14.379  -5.265
  269    H    GLY  37           HN       GLY  37  -5.518  13.018  -2.854
  270   1HA   GLY  37           HA2      GLY  37  -7.517  11.723  -2.961
  271   2HA   GLY  37           HA1      GLY  37  -7.672  12.154  -4.661
  272    NH1  ARG  38           NH2      ARG  38   0.693   9.187  -2.644
  273    NH2  ARG  38           NH1      ARG  38   1.108   7.092  -1.831
  274    H    ARG  38           HN       ARG  38  -4.826  10.775  -3.107
  275    HA   ARG  38           HA       ARG  38  -4.900   8.560  -5.068
  276   1HB   ARG  38           HB2      ARG  38  -2.812   9.969  -4.443
  277   2HB   ARG  38           HB1      ARG  38  -2.761   8.978  -2.989
  278   1HG   ARG  38           HG2      ARG  38  -2.848   6.936  -4.497
  279   2HG   ARG  38           HG1      ARG  38  -2.632   8.022  -5.865
  280   1HD   ARG  38           HD2      ARG  38  -0.435   7.223  -5.241
  281   2HD   ARG  38           HD1      ARG  38  -0.543   8.900  -4.708
  282    HE   ARG  38           HE       ARG  38  -1.281   6.858  -2.706
  283   1HH1  ARG  38          HH21      ARG  38   0.120   9.794  -3.194
  284   2HH1  ARG  38          HH22      ARG  38   1.500   9.548  -2.176
  285   1HH2  ARG  38          HH11      ARG  38   0.845   6.128  -1.773
  286   2HH2  ARG  38          HH12      ARG  38   1.920   7.418  -1.349
  287    H    LEU  39           HN       LEU  39  -5.429   6.514  -4.561
  288    HA   LEU  39           HA       LEU  39  -6.545   5.941  -1.945
  289   1HB   LEU  39           HB2      LEU  39  -7.558   4.872  -3.844
  290   2HB   LEU  39           HB1      LEU  39  -6.014   4.230  -4.385
  291    HG   LEU  39           HG       LEU  39  -5.898   2.706  -2.510
  292   1HD1  LEU  39          HD12      LEU  39  -8.214   4.358  -1.483
  293   2HD1  LEU  39          HD11      LEU  39  -7.922   2.729  -0.884
  294   3HD1  LEU  39          HD13      LEU  39  -6.701   3.977  -0.667
  295   1HD2  LEU  39          HD23      LEU  39  -7.644   2.386  -4.488
  296   2HD2  LEU  39          HD22      LEU  39  -7.609   1.261  -3.135
  297   3HD2  LEU  39          HD21      LEU  39  -8.814   2.542  -3.182
  298    H    THR  40           HN       THR  40  -5.227   5.684  -0.245
  299    HA   THR  40           HA       THR  40  -2.533   4.555  -0.585
  300    HB   THR  40           HB       THR  40  -2.096   5.399   1.569
  301    HG1  THR  40           HG1      THR  40  -3.879   5.419   3.080
  302   1HG2  THR  40          HG21      THR  40  -3.428   7.173   0.077
  303   2HG2  THR  40          HG23      THR  40  -4.687   6.901   1.277
  304   3HG2  THR  40          HG22      THR  40  -3.112   7.510   1.776
  305    NH1  ARG  41           NH2      ARG  41   0.910  -3.444   3.834
  306    NH2  ARG  41           NH1      ARG  41  -0.754  -4.950   4.260
  307    H    ARG  41           HN       ARG  41  -1.994   2.988   1.437
  308    HA   ARG  41           HA       ARG  41  -3.703   0.625   0.950
  309   1HB   ARG  41           HB2      ARG  41  -1.160   0.564   0.869
  310   2HB   ARG  41           HB1      ARG  41  -1.186   0.756   2.618
  311   1HG   ARG  41           HG2      ARG  41  -3.031  -1.259   2.229
  312   2HG   ARG  41           HG1      ARG  41  -1.838  -1.606   0.982
  313   1HD   ARG  41           HD2      ARG  41  -0.048  -1.363   2.777
  314   2HD   ARG  41           HD1      ARG  41  -1.352  -1.319   3.963
  315    HE   ARG  41           HE       ARG  41  -1.799  -3.611   2.387
  316   1HH1  ARG  41          HH21      ARG  41   1.209  -2.602   3.383
  317   2HH1  ARG  41          HH22      ARG  41   1.553  -3.966   4.394
  318   1HH2  ARG  41          HH11      ARG  41  -1.702  -5.238   4.127
  319   2HH2  ARG  41          HH12      ARG  41  -0.140  -5.498   4.826
  320    H    GLU  42           HN       GLU  42  -2.813   2.816   3.532
  321    HA   GLU  42           HA       GLU  42  -3.788   1.352   5.755
  322   1HB   GLU  42           HB2      GLU  42  -3.925   4.347   5.310
  323   2HB   GLU  42           HB1      GLU  42  -4.029   3.530   6.866
  324   1HG   GLU  42           HG2      GLU  42  -1.771   3.713   6.971
  325   2HG   GLU  42           HG1      GLU  42  -1.708   2.483   5.711
  326    H    ASP  43           HN       ASP  43  -5.453   2.361   3.060
  327    HA   ASP  43           HA       ASP  43  -8.033   2.711   4.486
  328   1HB   ASP  43           HB2      ASP  43  -7.035   3.283   1.727
  329   2HB   ASP  43           HB1      ASP  43  -8.758   2.982   1.938
  330    H    VAL  44           HN       VAL  44  -6.664   0.738   1.860
  331    HA   VAL  44           HA       VAL  44  -8.928  -1.078   1.819
  332    HB   VAL  44           HB       VAL  44  -6.187  -1.760   0.775
  333   1HG1  VAL  44          HG13      VAL  44  -8.314  -3.279   0.714
  334   2HG1  VAL  44          HG12      VAL  44  -8.872  -2.176  -0.539
  335   3HG1  VAL  44          HG11      VAL  44  -7.383  -3.087  -0.768
  336   1HG2  VAL  44          HG22      VAL  44  -8.084   0.382  -0.126
  337   2HG2  VAL  44          HG21      VAL  44  -6.323   0.363  -0.169
  338   3HG2  VAL  44          HG23      VAL  44  -7.243  -0.555  -1.357
  339    H    GLU  45           HN       GLU  45  -6.049  -0.819   3.683
  340    HA   GLU  45           HA       GLU  45  -5.505  -3.463   4.430
  341   1HB   GLU  45           HB2      GLU  45  -4.165  -1.572   5.218
  342   2HB   GLU  45           HB1      GLU  45  -5.513  -0.999   6.192
  343   1HG   GLU  45           HG2      GLU  45  -4.875  -3.821   6.690
  344   2HG   GLU  45           HG1      GLU  45  -3.534  -2.741   7.064
  345    H    LYS  46           HN       LYS  46  -7.901  -1.259   5.849
  346    HA   LYS  46           HA       LYS  46  -8.938  -3.302   7.648
  347   1HB   LYS  46           HB2      LYS  46  -9.026  -0.750   7.965
  348   2HB   LYS  46           HB1      LYS  46 -10.375  -0.777   6.836
  349   1HG   LYS  46           HG2      LYS  46 -11.111  -2.794   8.506
  350   2HG   LYS  46           HG1      LYS  46 -10.230  -1.768   9.632
  351   1HD   LYS  46           HD2      LYS  46 -11.603   0.186   8.662
  352   2HD   LYS  46           HD1      LYS  46 -12.629  -1.046   7.938
  353   1HE   LYS  46           HE2      LYS  46 -12.151  -0.472  10.859
  354   2HE   LYS  46           HE1      LYS  46 -13.683  -0.629  10.007
  355   1HZ   LYS  46           HZ2      LYS  46 -11.854  -2.925  10.162
  356   2HZ   LYS  46           HZ1      LYS  46 -12.849  -2.546  11.485
  357   3HZ   LYS  46           HZ3      LYS  46 -13.541  -2.903   9.977
  358    H    HIS  47           HN       HIS  47  -8.885  -4.187   4.957
  359    HA   HIS  47           HA       HIS  47 -11.772  -4.778   4.615
  360   1HB   HIS  47           HB2      HIS  47 -10.802  -2.811   3.100
  361   2HB   HIS  47           HB1      HIS  47 -10.230  -4.167   2.131
  362    HD1  HIS  47           HD1      HIS  47 -13.464  -3.281   3.754
  363    HD2  HIS  47           HD2      HIS  47 -12.102  -4.980   0.331
  364    HE1  HIS  47           HE1      HIS  47 -15.460  -3.767   2.463
  365    H    LEU  48           HN       LEU  48  -8.428  -5.459   3.771
  366    HA   LEU  48           HA       LEU  48  -9.149  -8.091   2.649
  367   1HB   LEU  48           HB2      LEU  48  -6.594  -6.535   2.940
  368   2HB   LEU  48           HB1      LEU  48  -6.546  -8.253   2.563
  369    HG   LEU  48           HG       LEU  48  -8.439  -6.585   0.972
  370   1HD1  LEU  48          HD13      LEU  48  -5.437  -6.345   0.897
  371   2HD1  LEU  48          HD12      LEU  48  -6.364  -6.177  -0.590
  372   3HD1  LEU  48          HD11      LEU  48  -6.649  -5.075   0.754
  373   1HD2  LEU  48          HD21      LEU  48  -7.949  -9.123   0.789
  374   2HD2  LEU  48          HD23      LEU  48  -7.954  -8.195  -0.707
  375   3HD2  LEU  48          HD22      LEU  48  -6.427  -8.642   0.047
  376    H    ALA  49           HN       ALA  49  -6.580  -7.265   4.950
  377    HA   ALA  49           HA       ALA  49  -7.644  -8.740   7.158
  378   1HB   ALA  49           HB2      ALA  49  -6.153 -10.272   5.107
  379   2HB   ALA  49           HB1      ALA  49  -5.683 -10.575   6.777
  380   3HB   ALA  49           HB3      ALA  49  -7.351 -10.826   6.270
  381    H    LYS  50           HN       LYS  50  -6.491  -8.245   8.948
  382    HA   LYS  50           HA       LYS  50  -4.365  -6.353   8.835
  383   1HB   LYS  50           HB2      LYS  50  -4.925  -8.243  11.129
  384   2HB   LYS  50           HB1      LYS  50  -4.179  -6.652  11.216
  385   1HG   LYS  50           HG2      LYS  50  -6.317  -5.678  10.295
  386   2HG   LYS  50           HG1      LYS  50  -7.043  -7.275  10.430
  387   1HD   LYS  50           HD2      LYS  50  -5.794  -6.783  12.919
  388   2HD   LYS  50           HD1      LYS  50  -6.631  -5.293  12.498
  389   1HE   LYS  50           HE2      LYS  50  -8.686  -6.660  12.009
  390   2HE   LYS  50           HE1      LYS  50  -7.835  -8.077  12.609
  391   1HZ   LYS  50           HZ2      LYS  50  -7.447  -6.446  14.637
  392   2HZ   LYS  50           HZ1      LYS  50  -8.910  -5.800  14.067
  393   3HZ   LYS  50           HZ3      LYS  50  -8.821  -7.436  14.511
  394    H    ALA  51           HN       ALA  51  -2.309  -7.051  10.358
  395    HA   ALA  51           HA       ALA  51  -1.202  -9.624   9.411
  396   1HB   ALA  51           HB3      ALA  51  -0.712  -7.805   7.683
  397   2HB   ALA  51           HB2      ALA  51   0.317  -7.063   8.903
  398   3HB   ALA  51           HB1      ALA  51   0.686  -8.677   8.303
   
 Raw file had 398 H/Q atoms
  Start of MODEL    5
    1    OH   TYR   1           OH       TYR   1  24.593  -4.025  -5.230
    2   1H    TYR   1           HT2      TYR   1  30.405  -1.815   0.268
    3   2H    TYR   1           HT1      TYR   1  30.193  -3.260  -0.598
    4   3H    TYR   1           HT3      TYR   1  31.026  -1.961  -1.306
    5    HA   TYR   1           HA       TYR   1  29.004  -1.728  -2.305
    6   1HB   TYR   1           HB2      TYR   1  28.149  -3.448  -0.267
    7   2HB   TYR   1           HB1      TYR   1  27.181  -1.991  -0.055
    8    HD1  TYR   1           HD2      TYR   1  25.743  -1.176  -1.905
    9    HD2  TYR   1           HD1      TYR   1  27.923  -4.810  -2.266
   10    HE1  TYR   1           HE2      TYR   1  24.369  -1.809  -3.834
   11    HE2  TYR   1           HE1      TYR   1  26.549  -5.443  -4.196
   12    HH   TYR   1           HH       TYR   1  25.000  -4.788  -5.647
   13    H    ALA   2           HN       ALA   2  30.494  -0.286   0.197
   14    HA   ALA   2           HA       ALA   2  28.560   1.849   0.733
   15   1HB   ALA   2           HB3      ALA   2  30.318   1.021   2.375
   16   2HB   ALA   2           HB2      ALA   2  31.514   1.848   1.380
   17   3HB   ALA   2           HB1      ALA   2  30.240   2.769   2.173
   18    H    SER   3           HN       SER   3  28.605   1.934  -1.856
   19    HA   SER   3           HA       SER   3  30.707   3.834  -2.759
   20   1HB   SER   3           HB2      SER   3  28.527   2.451  -4.357
   21   2HB   SER   3           HB1      SER   3  29.898   3.365  -5.017
   22    HG   SER   3           HG1      SER   3  31.206   1.783  -4.515
   23    H    LEU   4           HN       LEU   4  28.560   4.570  -4.855
   24    HA   LEU   4           HA       LEU   4  27.858   7.100  -3.760
   25   1HB   LEU   4           HB2      LEU   4  27.537   5.739  -6.236
   26   2HB   LEU   4           HB1      LEU   4  25.947   6.317  -5.752
   27    HG   LEU   4           HG       LEU   4  26.937   8.585  -5.356
   28   1HD1  LEU   4          HD13      LEU   4  29.372   7.079  -5.661
   29   2HD1  LEU   4          HD12      LEU   4  29.313   8.320  -6.909
   30   3HD1  LEU   4          HD11      LEU   4  29.185   8.772  -5.213
   31   1HD2  LEU   4          HD23      LEU   4  27.381   7.400  -8.119
   32   2HD2  LEU   4          HD22      LEU   4  25.868   8.067  -7.514
   33   3HD2  LEU   4          HD21      LEU   4  27.256   9.120  -7.768
   34    H    GLU   5           HN       GLU   5  26.161   7.775  -2.592
   35    HA   GLU   5           HA       GLU   5  24.673   6.170  -0.911
   36   1HB   GLU   5           HB2      GLU   5  23.961   8.804  -2.196
   37   2HB   GLU   5           HB1      GLU   5  22.906   8.040  -1.012
   38   1HG   GLU   5           HG2      GLU   5  24.707   8.028   0.644
   39   2HG   GLU   5           HG1      GLU   5  25.842   8.666  -0.543
   40    H    GLU   6           HN       GLU   6  23.961   4.273  -1.901
   41    HA   GLU   6           HA       GLU   6  21.983   4.515  -4.101
   42   1HB   GLU   6           HB2      GLU   6  23.480   2.200  -2.875
   43   2HB   GLU   6           HB1      GLU   6  22.121   1.940  -3.961
   44   1HG   GLU   6           HG2      GLU   6  24.070   3.920  -4.958
   45   2HG   GLU   6           HG1      GLU   6  24.731   2.297  -4.780
   46    H    GLN   7           HN       GLN   7  22.043   4.401  -0.760
   47    HA   GLN   7           HA       GLN   7  19.816   2.729  -0.146
   48   1HB   GLN   7           HB2      GLN   7  20.860   5.213   1.235
   49   2HB   GLN   7           HB1      GLN   7  19.633   4.151   1.918
   50   1HG   GLN   7           HG2      GLN   7  21.154   2.297   2.005
   51   2HG   GLN   7           HG1      GLN   7  22.335   3.131   0.998
   52   1HE2  GLN   7          HE22      GLN   7  22.666   3.519   4.920
   53   2HE2  GLN   7          HE21      GLN   7  21.872   2.248   4.123
   54    H    ASN   8           HN       ASN   8  17.661   3.020  -0.332
   55    HA   ASN   8           HA       ASN   8  16.571   5.732  -0.762
   56   1HB   ASN   8           HB2      ASN   8  17.262   4.429  -2.996
   57   2HB   ASN   8           HB1      ASN   8  15.682   3.691  -2.744
   58   1HD2  ASN   8          HD22      ASN   8  15.417   6.960  -4.679
   59   2HD2  ASN   8          HD21      ASN   8  16.433   5.615  -4.876
   60    H    ASN   9           HN       ASN   9  16.293   2.510   0.256
   61    HA   ASN   9           HA       ASN   9  14.557   1.332   1.322
   62   1HB   ASN   9           HB2      ASN   9  14.618   3.981   2.319
   63   2HB   ASN   9           HB1      ASN   9  12.920   3.564   2.113
   64   1HD2  ASN   9          HD22      ASN   9  13.342   0.599   4.296
   65   2HD2  ASN   9          HD21      ASN   9  12.785   0.897   2.721
   66    H    ASP  10           HN       ASP  10  12.008   1.312   1.492
   67    HA   ASP  10           HA       ASP  10  11.043   1.555  -1.307
   68   1HB   ASP  10           HB2      ASP  10   9.056   0.223  -0.210
   69   2HB   ASP  10           HB1      ASP  10  10.573  -0.603  -0.557
   70    H    ALA  11           HN       ALA  11  10.446   3.692  -1.517
   71    HA   ALA  11           HA       ALA  11   9.018   5.184   0.476
   72   1HB   ALA  11           HB2      ALA  11   9.155   5.569  -2.526
   73   2HB   ALA  11           HB1      ALA  11   8.526   6.756  -1.388
   74   3HB   ALA  11           HB3      ALA  11  10.225   6.301  -1.336
   75    H    LEU  12           HN       LEU  12   7.996   3.169  -2.214
   76    HA   LEU  12           HA       LEU  12   5.217   3.239  -1.123
   77   1HB   LEU  12           HB2      LEU  12   6.100   3.705  -3.967
   78   2HB   LEU  12           HB1      LEU  12   4.484   3.114  -3.600
   79    HG   LEU  12           HG       LEU  12   5.412   5.450  -2.007
   80   1HD1  LEU  12          HD11      LEU  12   4.695   5.628  -4.954
   81   2HD1  LEU  12          HD13      LEU  12   4.802   7.007  -3.866
   82   3HD1  LEU  12          HD12      LEU  12   6.241   6.062  -4.234
   83   1HD2  LEU  12          HD23      LEU  12   3.149   4.421  -1.796
   84   2HD2  LEU  12          HD22      LEU  12   3.059   6.100  -2.322
   85   3HD2  LEU  12          HD21      LEU  12   2.840   4.798  -3.488
   86    H    SER  13           HN       SER  13   3.901   1.395  -1.977
   87    HA   SER  13           HA       SER  13   5.444  -1.057  -1.769
   88   1HB   SER  13           HB2      SER  13   2.687  -0.270  -1.491
   89   2HB   SER  13           HB1      SER  13   2.815  -1.718  -2.509
   90    HG   SER  13           HG1      SER  13   3.535  -1.323   0.140
   91    HA   PRO  14           HA       PRO  14   5.948  -1.093  -6.305
   92   1HB   PRO  14           HB2      PRO  14   7.120  -3.700  -6.252
   93   2HB   PRO  14           HB1      PRO  14   7.940  -2.153  -6.470
   94   1HG   PRO  14           HG2      PRO  14   7.984  -3.874  -4.135
   95   2HG   PRO  14           HG1      PRO  14   8.842  -2.350  -4.371
   96   1HD   PRO  14           HD1      PRO  14   6.536  -2.844  -2.706
   97   2HD   PRO  14           HD2      PRO  14   7.401  -1.313  -2.943
   98    H    ALA  15           HN       ALA  15   3.997  -2.862  -4.329
   99    HA   ALA  15           HA       ALA  15   2.911  -4.537  -6.561
  100   1HB   ALA  15           HB2      ALA  15   3.311  -5.005  -3.705
  101   2HB   ALA  15           HB1      ALA  15   1.677  -5.392  -4.235
  102   3HB   ALA  15           HB3      ALA  15   3.057  -6.166  -5.005
  103    H    ILE  16           HN       ILE  16   2.197  -2.000  -4.310
  104    HA   ILE  16           HA       ILE  16  -0.582  -2.006  -4.146
  105    HB   ILE  16           HB       ILE  16   1.092  -0.288  -3.212
  106   1HG1  ILE  16          HG12      ILE  16  -1.502   0.692  -4.456
  107   2HG1  ILE  16          HG11      ILE  16  -1.378  -0.163  -2.921
  108   1HG2  ILE  16          HG23      ILE  16   1.847   0.233  -5.648
  109   2HG2  ILE  16          HG22      ILE  16   0.399   1.231  -5.723
  110   3HG2  ILE  16          HG21      ILE  16   1.651   1.584  -4.536
  111   1HD1  ILE  16           HD3      ILE  16   0.247   1.687  -2.191
  112   2HD1  ILE  16           HD2      ILE  16  -0.285   2.576  -3.615
  113   3HD1  ILE  16           HD1      ILE  16  -1.441   2.162  -2.353
  114    NH1  ARG  17           NH2      ARG  17   3.286   0.278 -12.699
  115    NH2  ARG  17           NH1      ARG  17   4.785  -1.433 -12.481
  116    H    ARG  17           HN       ARG  17   1.270  -1.819  -6.977
  117    HA   ARG  17           HA       ARG  17  -0.653  -0.317  -8.576
  118   1HB   ARG  17           HB2      ARG  17   1.695  -2.067  -9.335
  119   2HB   ARG  17           HB1      ARG  17   0.736  -1.157 -10.498
  120   1HG   ARG  17           HG2      ARG  17   1.413   0.928  -9.599
  121   2HG   ARG  17           HG1      ARG  17   1.966   0.199  -8.096
  122   1HD   ARG  17           HD2      ARG  17   3.651   0.864 -10.118
  123   2HD   ARG  17           HD1      ARG  17   3.976  -0.461  -9.004
  124    HE   ARG  17           HE       ARG  17   2.804  -1.926 -10.777
  125   1HH1  ARG  17          HH21      ARG  17   2.513   0.792 -12.328
  126   2HH1  ARG  17          HH22      ARG  17   3.684   0.540 -13.578
  127   1HH2  ARG  17          HH11      ARG  17   5.135  -2.202 -11.946
  128   2HH2  ARG  17          HH12      ARG  17   5.208  -1.199 -13.357
  129    NH1  ARG  18           NH1      ARG  18  -1.788  -3.431 -13.561
  130    NH2  ARG  18           NH2      ARG  18  -2.754  -4.877 -15.044
  131    H    ARG  18           HN       ARG  18   0.402  -3.722  -8.757
  132    HA   ARG  18           HA       ARG  18  -2.065  -4.413 -10.201
  133   1HB   ARG  18           HB2      ARG  18   0.430  -5.891  -9.421
  134   2HB   ARG  18           HB1      ARG  18  -0.989  -6.783  -9.958
  135   1HG   ARG  18           HG2      ARG  18  -0.137  -4.428 -11.592
  136   2HG   ARG  18           HG1      ARG  18   0.838  -5.889 -11.700
  137   1HD   ARG  18           HD2      ARG  18  -1.036  -7.199 -12.425
  138   2HD   ARG  18           HD1      ARG  18  -2.178  -5.926 -11.995
  139    HE   ARG  18           HE       ARG  18  -0.352  -5.867 -14.345
  140   1HH1  ARG  18          HH11      ARG  18  -1.101  -3.261 -12.855
  141   2HH1  ARG  18          HH12      ARG  18  -2.409  -2.699 -13.840
  142   1HH2  ARG  18          HH21      ARG  18  -2.790  -5.789 -15.449
  143   2HH2  ARG  18          HH22      ARG  18  -3.392  -4.169 -15.348
  144    H    LEU  19           HN       LEU  19  -1.018  -4.327  -6.961
  145    HA   LEU  19           HA       LEU  19  -2.279  -6.480  -5.721
  146   1HB   LEU  19           HB2      LEU  19  -0.983  -4.588  -4.610
  147   2HB   LEU  19           HB1      LEU  19  -2.474  -3.655  -4.664
  148    HG   LEU  19           HG       LEU  19  -3.424  -5.961  -3.608
  149   1HD1  LEU  19          HD13      LEU  19  -1.080  -6.915  -3.641
  150   2HD1  LEU  19          HD12      LEU  19  -0.626  -5.682  -2.468
  151   3HD1  LEU  19          HD11      LEU  19  -1.825  -6.899  -2.046
  152   1HD2  LEU  19          HD22      LEU  19  -2.073  -3.658  -2.165
  153   2HD2  LEU  19          HD21      LEU  19  -3.773  -3.775  -2.608
  154   3HD2  LEU  19          HD23      LEU  19  -3.113  -4.834  -1.367
  155    H    LEU  20           HN       LEU  20  -3.724  -3.597  -7.091
  156    HA   LEU  20           HA       LEU  20  -6.378  -4.073  -6.046
  157   1HB   LEU  20           HB2      LEU  20  -5.432  -2.465  -8.432
  158   2HB   LEU  20           HB1      LEU  20  -7.074  -2.434  -7.800
  159    HG   LEU  20           HG       LEU  20  -4.905  -2.004  -5.812
  160   1HD1  LEU  20          HD12      LEU  20  -5.575  -0.061  -8.037
  161   2HD1  LEU  20          HD11      LEU  20  -4.899   0.471  -6.501
  162   3HD1  LEU  20          HD13      LEU  20  -3.983  -0.620  -7.536
  163   1HD2  LEU  20          HD21      LEU  20  -7.339  -1.940  -5.269
  164   2HD2  LEU  20          HD23      LEU  20  -6.555  -0.397  -4.946
  165   3HD2  LEU  20          HD22      LEU  20  -7.536  -0.600  -6.394
  166    H    ALA  21           HN       ALA  21  -4.848  -4.691  -9.190
  167    HA   ALA  21           HA       ALA  21  -7.185  -6.093 -10.215
  168   1HB   ALA  21           HB3      ALA  21  -4.576  -5.251 -11.213
  169   2HB   ALA  21           HB2      ALA  21  -5.013  -6.861 -11.777
  170   3HB   ALA  21           HB1      ALA  21  -6.080  -5.497 -12.094
  171    H    GLU  22           HN       GLU  22  -4.698  -6.897  -8.098
  172    HA   GLU  22           HA       GLU  22  -4.468  -9.717  -8.809
  173   1HB   GLU  22           HB2      GLU  22  -2.656  -8.469  -7.640
  174   2HB   GLU  22           HB1      GLU  22  -3.699  -8.320  -6.232
  175   1HG   GLU  22           HG2      GLU  22  -3.095 -10.387  -5.549
  176   2HG   GLU  22           HG1      GLU  22  -3.682 -11.071  -7.063
  177    H    HIS  23           HN       HIS  23  -6.139  -7.862  -6.289
  178    HA   HIS  23           HA       HIS  23  -7.668 -10.325  -5.556
  179   1HB   HIS  23           HB2      HIS  23  -7.469  -7.695  -4.067
  180   2HB   HIS  23           HB1      HIS  23  -8.232  -9.170  -3.482
  181    HD1  HIS  23           HD1      HIS  23  -6.236 -11.203  -3.885
  182    HD2  HIS  23           HD2      HIS  23  -5.053  -7.464  -2.844
  183    HE1  HIS  23           HE1      HIS  23  -4.029 -11.492  -2.919
  184    H    ASN  24           HN       ASN  24  -7.897  -7.535  -7.374
  185    HA   ASN  24           HA       ASN  24  -9.735  -6.618  -8.528
  186   1HB   ASN  24           HB2      ASN  24 -10.470  -9.207  -8.149
  187   2HB   ASN  24           HB1      ASN  24 -11.732  -8.386  -7.236
  188   1HD2  ASN  24          HD22      ASN  24 -11.851  -8.337 -11.255
  189   2HD2  ASN  24          HD21      ASN  24 -10.746  -9.285 -10.382
  190    H    LEU  25           HN       LEU  25  -8.856  -5.594  -6.049
  191    HA   LEU  25           HA       LEU  25 -11.282  -4.944  -4.502
  192   1HB   LEU  25           HB2      LEU  25  -8.346  -4.575  -4.146
  193   2HB   LEU  25           HB1      LEU  25  -9.407  -3.436  -3.329
  194    HG   LEU  25           HG       LEU  25  -9.902  -6.413  -3.153
  195   1HD1  LEU  25          HD11      LEU  25  -8.113  -4.730  -1.363
  196   2HD1  LEU  25          HD13      LEU  25  -8.593  -6.393  -1.042
  197   3HD1  LEU  25          HD12      LEU  25  -7.573  -6.022  -2.427
  198   1HD2  LEU  25          HD21      LEU  25 -11.335  -4.208  -2.291
  199   2HD2  LEU  25          HD23      LEU  25 -11.465  -5.822  -1.604
  200   3HD2  LEU  25          HD22      LEU  25 -10.404  -4.632  -0.860
  201    H    ASP  26           HN       ASP  26 -12.361  -3.780  -6.225
  202    HA   ASP  26           HA       ASP  26 -11.215  -1.416  -7.409
  203   1HB   ASP  26           HB2      ASP  26 -14.134  -2.144  -7.032
  204   2HB   ASP  26           HB1      ASP  26 -13.510  -0.928  -8.143
  205    H    ALA  27           HN       ALA  27 -10.711   0.380  -6.326
  206    HA   ALA  27           HA       ALA  27 -11.255   1.033  -3.693
  207   1HB   ALA  27           HB1      ALA  27 -11.020   2.906  -6.061
  208   2HB   ALA  27           HB3      ALA  27 -10.986   3.441  -4.385
  209   3HB   ALA  27           HB2      ALA  27  -9.724   2.376  -4.995
  210    H    SER  28           HN       SER  28 -13.472   1.048  -6.319
  211    HA   SER  28           HA       SER  28 -15.398   2.931  -5.480
  212   1HB   SER  28           HB2      SER  28 -15.300   0.711  -7.319
  213   2HB   SER  28           HB1      SER  28 -16.843   0.694  -6.443
  214    HG   SER  28           HG1      SER  28 -15.750   3.129  -7.316
  215    H    ALA  29           HN       ALA  29 -15.002  -0.455  -4.515
  216    HA   ALA  29           HA       ALA  29 -17.256  -0.402  -2.685
  217   1HB   ALA  29           HB1      ALA  29 -16.360  -2.494  -3.719
  218   2HB   ALA  29           HB3      ALA  29 -14.906  -2.314  -2.740
  219   3HB   ALA  29           HB2      ALA  29 -16.462  -2.589  -1.963
  220    H    ILE  30           HN       ILE  30 -13.886   0.398  -2.494
  221    HA   ILE  30           HA       ILE  30 -13.935   0.493   0.455
  222    HB   ILE  30           HB       ILE  30 -11.736   1.416  -1.415
  223   1HG1  ILE  30          HG12      ILE  30 -12.233  -0.891  -1.977
  224   2HG1  ILE  30          HG11      ILE  30 -10.763  -0.883  -1.019
  225   1HG2  ILE  30          HG22      ILE  30 -11.994   1.012   1.536
  226   2HG2  ILE  30          HG21      ILE  30 -10.483   0.495   0.804
  227   3HG2  ILE  30          HG23      ILE  30 -11.013   2.162   0.642
  228   1HD1  ILE  30           HD1      ILE  30 -12.371  -1.228   1.019
  229   2HD1  ILE  30           HD3      ILE  30 -13.543  -1.718  -0.198
  230   3HD1  ILE  30           HD2      ILE  30 -12.032  -2.600  -0.025
  231    H    LYS  31           HN       LYS  31 -12.662   2.652   1.229
  232    HA   LYS  31           HA       LYS  31 -14.111   4.977   0.021
  233   1HB   LYS  31           HB2      LYS  31 -13.772   4.219   2.919
  234   2HB   LYS  31           HB1      LYS  31 -14.166   5.863   2.430
  235   1HG   LYS  31           HG2      LYS  31 -15.778   3.622   1.266
  236   2HG   LYS  31           HG1      LYS  31 -16.087   4.078   2.937
  237   1HD   LYS  31           HD2      LYS  31 -16.835   6.206   2.359
  238   2HD   LYS  31           HD1      LYS  31 -15.884   6.252   0.880
  239   1HE   LYS  31           HE2      LYS  31 -18.154   4.287   1.210
  240   2HE   LYS  31           HE1      LYS  31 -18.450   5.929   0.653
  241   1HZ   LYS  31           HZ3      LYS  31 -16.457   5.277  -0.940
  242   2HZ   LYS  31           HZ2      LYS  31 -17.107   3.727  -0.690
  243   3HZ   LYS  31           HZ1      LYS  31 -18.080   4.964  -1.328
  244    H    GLY  32           HN       GLY  32 -12.314   5.708  -1.110
  245   1HA   GLY  32           HA2      GLY  32  -9.798   6.178   0.361
  246   2HA   GLY  32           HA1      GLY  32 -10.053   6.452  -1.361
  247    H    THR  33           HN       THR  33  -9.376   8.031   1.369
  248    HA   THR  33           HA       THR  33 -10.508  10.558   0.311
  249    HB   THR  33           HB       THR  33 -11.319  11.201   2.621
  250    HG1  THR  33           HG1      THR  33 -11.353   8.614   3.448
  251   1HG2  THR  33          HG22      THR  33 -12.861   9.996   0.934
  252   2HG2  THR  33          HG21      THR  33 -12.474   8.514   1.804
  253   3HG2  THR  33          HG23      THR  33 -13.306   9.829   2.630
  254    H    GLY  34           HN       GLY  34  -7.832   9.279   0.588
  255   1HA   GLY  34           HA2      GLY  34  -6.447  10.830   2.646
  256   2HA   GLY  34           HA1      GLY  34  -5.682   9.791   1.446
  257    H    VAL  35           HN       VAL  35  -4.167  11.681   1.384
  258    HA   VAL  35           HA       VAL  35  -4.728  14.260   0.526
  259    HB   VAL  35           HB       VAL  35  -2.470  12.478  -0.427
  260   1HG1  VAL  35          HG11      VAL  35  -3.015  15.440  -0.645
  261   2HG1  VAL  35          HG13      VAL  35  -1.363  14.833  -0.611
  262   3HG1  VAL  35          HG12      VAL  35  -2.458  14.333  -1.895
  263   1HG2  VAL  35          HG21      VAL  35  -2.829  12.897   2.093
  264   2HG2  VAL  35          HG23      VAL  35  -1.247  13.315   1.442
  265   3HG2  VAL  35          HG22      VAL  35  -2.434  14.578   1.752
  266    H    GLY  36           HN       GLY  36  -5.246  15.254  -1.385
  267   1HA   GLY  36           HA2      GLY  36  -6.282  15.413  -3.491
  268   2HA   GLY  36           HA1      GLY  36  -5.070  14.236  -3.987
  269    H    GLY  37           HN       GLY  37  -7.202  13.308  -1.462
  270   1HA   GLY  37           HA2      GLY  37  -8.992  11.786  -1.401
  271   2HA   GLY  37           HA1      GLY  37  -9.344  12.246  -3.064
  272    NH1  ARG  38           NH2      ARG  38  -1.048  11.916  -6.477
  273    NH2  ARG  38           NH1      ARG  38  -2.525  13.473  -5.696
  274    H    ARG  38           HN       ARG  38  -6.201  11.400  -3.103
  275    HA   ARG  38           HA       ARG  38  -6.547   9.035  -4.611
  276   1HB   ARG  38           HB2      ARG  38  -4.332  10.518  -3.470
  277   2HB   ARG  38           HB1      ARG  38  -4.044   8.785  -3.372
  278   1HG   ARG  38           HG2      ARG  38  -4.427   8.521  -5.752
  279   2HG   ARG  38           HG1      ARG  38  -4.959  10.194  -5.899
  280   1HD   ARG  38           HD2      ARG  38  -2.172   9.280  -5.099
  281   2HD   ARG  38           HD1      ARG  38  -2.622   9.986  -6.650
  282    HE   ARG  38           HE       ARG  38  -2.983  11.538  -4.123
  283   1HH1  ARG  38          HH21      ARG  38  -0.727  10.968  -6.486
  284   2HH1  ARG  38          HH22      ARG  38  -0.583  12.605  -7.031
  285   1HH2  ARG  38          HH11      ARG  38  -3.313  13.694  -5.121
  286   2HH2  ARG  38          HH12      ARG  38  -2.086  14.189  -6.238
  287    H    LEU  39           HN       LEU  39  -6.214   6.826  -4.090
  288    HA   LEU  39           HA       LEU  39  -7.228   6.108  -1.435
  289   1HB   LEU  39           HB2      LEU  39  -8.038   4.888  -3.399
  290   2HB   LEU  39           HB1      LEU  39  -6.398   4.405  -3.806
  291    HG   LEU  39           HG       LEU  39  -6.235   3.101  -1.719
  292   1HD1  LEU  39          HD13      LEU  39  -8.891   4.420  -1.209
  293   2HD1  LEU  39          HD12      LEU  39  -8.568   2.835  -0.514
  294   3HD1  LEU  39          HD11      LEU  39  -7.535   4.201  -0.107
  295   1HD2  LEU  39          HD22      LEU  39  -7.571   2.355  -3.919
  296   2HD2  LEU  39          HD21      LEU  39  -7.470   1.313  -2.503
  297   3HD2  LEU  39          HD23      LEU  39  -8.909   2.290  -2.775
  298    H    THR  40           HN       THR  40  -6.026   5.490   0.259
  299    HA   THR  40           HA       THR  40  -3.092   5.251  -0.133
  300    HB   THR  40           HB       THR  40  -2.961   5.562   2.328
  301    HG1  THR  40           HG1      THR  40  -5.615   4.864   1.920
  302   1HG2  THR  40          HG23      THR  40  -4.282   7.439   0.548
  303   2HG2  THR  40          HG22      THR  40  -4.995   7.540   2.155
  304   3HG2  THR  40          HG21      THR  40  -3.266   7.793   1.941
  305    NH1  ARG  41           NH2      ARG  41  -1.920  -2.808   3.456
  306    NH2  ARG  41           NH1      ARG  41  -0.695  -4.091   2.015
  307    H    ARG  41           HN       ARG  41  -2.277   3.691   1.874
  308    HA   ARG  41           HA       ARG  41  -3.335   1.026   1.085
  309   1HB   ARG  41           HB2      ARG  41  -0.864   1.574   0.931
  310   2HB   ARG  41           HB1      ARG  41  -0.845   1.636   2.690
  311   1HG   ARG  41           HG2      ARG  41  -2.182  -0.748   2.125
  312   2HG   ARG  41           HG1      ARG  41  -0.902  -0.692   0.919
  313   1HD   ARG  41           HD2      ARG  41   0.703  -0.124   2.824
  314   2HD   ARG  41           HD1      ARG  41  -0.606  -0.531   3.932
  315    HE   ARG  41           HE       ARG  41   1.062  -2.447   2.742
  316   1HH1  ARG  41          HH21      ARG  41  -1.995  -1.982   4.014
  317   2HH1  ARG  41          HH22      ARG  41  -2.672  -3.466   3.433
  318   1HH2  ARG  41          HH11      ARG  41   0.147  -4.226   1.494
  319   2HH2  ARG  41          HH12      ARG  41  -1.427  -4.771   1.968
  320    H    GLU  42           HN       GLU  42  -3.063   3.179   3.792
  321    HA   GLU  42           HA       GLU  42  -3.589   1.204   5.845
  322   1HB   GLU  42           HB2      GLU  42  -3.720   4.210   5.740
  323   2HB   GLU  42           HB1      GLU  42  -4.253   3.326   7.166
  324   1HG   GLU  42           HG2      GLU  42  -2.049   2.243   7.345
  325   2HG   GLU  42           HG1      GLU  42  -1.512   3.063   5.880
  326    H    ASP  43           HN       ASP  43  -5.497   2.420   3.407
  327    HA   ASP  43           HA       ASP  43  -8.010   2.308   4.980
  328   1HB   ASP  43           HB2      ASP  43  -7.277   3.249   2.227
  329   2HB   ASP  43           HB1      ASP  43  -8.954   2.850   2.589
  330    H    VAL  44           HN       VAL  44  -6.744   0.884   1.968
  331    HA   VAL  44           HA       VAL  44  -8.751  -1.074   1.622
  332    HB   VAL  44           HB       VAL  44  -5.823  -1.496   0.987
  333   1HG1  VAL  44          HG11      VAL  44  -7.469  -3.383   0.655
  334   2HG1  VAL  44          HG13      VAL  44  -8.348  -2.349  -0.467
  335   3HG1  VAL  44          HG12      VAL  44  -6.700  -2.846  -0.834
  336   1HG2  VAL  44          HG22      VAL  44  -7.936   0.144  -0.447
  337   2HG2  VAL  44          HG21      VAL  44  -6.392   0.716   0.178
  338   3HG2  VAL  44          HG23      VAL  44  -6.434  -0.374  -1.204
  339    H    GLU  45           HN       GLU  45  -6.069  -0.954   3.822
  340    HA   GLU  45           HA       GLU  45  -5.836  -3.704   4.490
  341   1HB   GLU  45           HB2      GLU  45  -4.314  -1.843   5.248
  342   2HB   GLU  45           HB1      GLU  45  -5.554  -1.381   6.409
  343   1HG   GLU  45           HG2      GLU  45  -5.469  -3.687   7.368
  344   2HG   GLU  45           HG1      GLU  45  -4.165  -4.080   6.251
  345    H    LYS  46           HN       LYS  46  -7.698  -1.192   6.203
  346    HA   LYS  46           HA       LYS  46  -9.010  -2.821   8.057
  347   1HB   LYS  46           HB2      LYS  46  -9.925  -0.350   6.591
  348   2HB   LYS  46           HB1      LYS  46 -10.934  -1.124   7.807
  349   1HG   LYS  46           HG2      LYS  46  -9.068  -0.933   9.446
  350   2HG   LYS  46           HG1      LYS  46  -8.102  -0.107   8.228
  351   1HD   LYS  46           HD2      LYS  46  -9.022   1.762   9.204
  352   2HD   LYS  46           HD1      LYS  46 -10.349   1.398   8.106
  353   1HE   LYS  46           HE2      LYS  46 -11.380   1.649  10.238
  354   2HE   LYS  46           HE1      LYS  46 -11.283  -0.090   9.990
  355   1HZ   LYS  46           HZ1      LYS  46  -9.104   0.048  11.232
  356   2HZ   LYS  46           HZ3      LYS  46  -9.575   1.612  11.695
  357   3HZ   LYS  46           HZ2      LYS  46 -10.518   0.274  12.145
  358    H    HIS  47           HN       HIS  47  -9.259  -2.944   4.686
  359    HA   HIS  47           HA       HIS  47 -11.977  -4.086   4.669
  360   1HB   HIS  47           HB2      HIS  47 -10.715  -2.656   2.804
  361   2HB   HIS  47           HB1      HIS  47 -10.181  -4.256   2.289
  362    HD1  HIS  47           HD1      HIS  47 -13.432  -2.694   3.209
  363    HD2  HIS  47           HD2      HIS  47 -11.976  -5.488   0.655
  364    HE1  HIS  47           HE1      HIS  47 -15.353  -3.413   1.911
  365    H    LEU  48           HN       LEU  48  -8.718  -5.204   3.751
  366    HA   LEU  48           HA       LEU  48  -9.335  -7.908   3.298
  367   1HB   LEU  48           HB2      LEU  48  -6.838  -6.745   4.559
  368   2HB   LEU  48           HB1      LEU  48  -6.961  -8.371   3.903
  369    HG   LEU  48           HG       LEU  48  -7.468  -5.827   2.311
  370   1HD1  LEU  48          HD13      LEU  48  -5.085  -6.107   3.007
  371   2HD1  LEU  48          HD12      LEU  48  -5.081  -7.704   2.267
  372   3HD1  LEU  48          HD11      LEU  48  -5.293  -6.272   1.267
  373   1HD2  LEU  48          HD23      LEU  48  -7.619  -8.763   1.718
  374   2HD2  LEU  48          HD22      LEU  48  -8.623  -7.450   1.114
  375   3HD2  LEU  48          HD21      LEU  48  -7.011  -7.700   0.454
  376    H    ALA  49           HN       ALA  49  -8.419  -9.708   4.844
  377    HA   ALA  49           HA       ALA  49 -10.054  -9.566   7.263
  378   1HB   ALA  49           HB2      ALA  49  -8.178 -11.714   6.243
  379   2HB   ALA  49           HB1      ALA  49  -9.256 -11.895   7.623
  380   3HB   ALA  49           HB3      ALA  49  -9.922 -11.661   6.010
  381    H    LYS  50           HN       LYS  50  -9.374  -9.248   9.321
  382    HA   LYS  50           HA       LYS  50  -6.686  -8.201   9.733
  383   1HB   LYS  50           HB2      LYS  50  -8.768  -8.873  11.826
  384   2HB   LYS  50           HB1      LYS  50  -7.401  -7.779  12.003
  385   1HG   LYS  50           HG2      LYS  50  -8.344  -6.298  10.266
  386   2HG   LYS  50           HG1      LYS  50  -9.690  -7.407  10.040
  387   1HD   LYS  50           HD2      LYS  50 -10.382  -5.572  11.517
  388   2HD   LYS  50           HD1      LYS  50 -10.342  -7.078  12.423
  389   1HE   LYS  50           HE2      LYS  50  -7.847  -5.420  12.362
  390   2HE   LYS  50           HE1      LYS  50  -9.178  -4.862  13.363
  391   1HZ   LYS  50           HZ2      LYS  50  -8.726  -7.652  13.685
  392   2HZ   LYS  50           HZ1      LYS  50  -7.322  -6.757  14.022
  393   3HZ   LYS  50           HZ3      LYS  50  -8.764  -6.420  14.854
  394    H    ALA  51           HN       ALA  51  -5.267  -9.916   9.335
  395    HA   ALA  51           HA       ALA  51  -5.568 -12.396  10.909
  396   1HB   ALA  51           HB3      ALA  51  -4.668 -12.060   8.420
  397   2HB   ALA  51           HB2      ALA  51  -3.137 -11.848   9.266
  398   3HB   ALA  51           HB1      ALA  51  -4.047 -13.344   9.454
   
 Raw file had 398 H/Q atoms
  Start of MODEL    6
    1    OH   TYR   1           OH       TYR   1  30.493  11.671   3.644
    2   1H    TYR   1           HT3      TYR   1  26.731   9.089  -1.839
    3   2H    TYR   1           HT2      TYR   1  27.756   9.098  -0.485
    4   3H    TYR   1           HT1      TYR   1  26.685   7.803  -0.731
    5    HA   TYR   1           HA       TYR   1  25.715   9.113   0.938
    6   1HB   TYR   1           HB2      TYR   1  26.379  11.425  -0.897
    7   2HB   TYR   1           HB1      TYR   1  25.257  11.573   0.454
    8    HD1  TYR   1           HD2      TYR   1  26.152  10.727   2.773
    9    HD2  TYR   1           HD1      TYR   1  28.678  11.717  -0.503
   10    HE1  TYR   1           HE2      TYR   1  28.040  11.002   4.312
   11    HE2  TYR   1           HE1      TYR   1  30.566  11.992   1.036
   12    HH   TYR   1           HH       TYR   1  30.334  11.115   4.411
   13    H    ALA   2           HN       ALA   2  24.291  11.342  -1.058
   14    HA   ALA   2           HA       ALA   2  21.756  10.213  -1.130
   15   1HB   ALA   2           HB3      ALA   2  22.987  12.455  -2.275
   16   2HB   ALA   2           HB2      ALA   2  22.277  11.587  -3.633
   17   3HB   ALA   2           HB1      ALA   2  21.265  12.087  -2.282
   18    H    SER   3           HN       SER   3  20.542   9.241  -2.923
   19    HA   SER   3           HA       SER   3  22.034   7.886  -5.041
   20   1HB   SER   3           HB2      SER   3  20.706   6.175  -2.912
   21   2HB   SER   3           HB1      SER   3  21.651   5.610  -4.306
   22    HG   SER   3           HG1      SER   3  23.083   5.747  -2.635
   23    H    LEU   4           HN       LEU   4  20.689   7.094  -6.661
   24    HA   LEU   4           HA       LEU   4  18.020   8.225  -6.737
   25   1HB   LEU   4           HB2      LEU   4  17.873   7.058  -8.937
   26   2HB   LEU   4           HB1      LEU   4  19.328   8.035  -8.784
   27    HG   LEU   4           HG       LEU   4  19.939   5.469  -7.712
   28   1HD1  LEU   4          HD12      LEU   4  17.966   4.652  -8.991
   29   2HD1  LEU   4          HD11      LEU   4  18.643   5.351 -10.458
   30   3HD1  LEU   4          HD13      LEU   4  19.471   4.022  -9.653
   31   1HD2  LEU   4          HD22      LEU   4  20.673   6.827 -10.329
   32   2HD2  LEU   4          HD21      LEU   4  21.533   6.985  -8.801
   33   3HD2  LEU   4          HD23      LEU   4  21.521   5.441  -9.648
   34    H    GLU   5           HN       GLU   5  19.079   5.702  -5.037
   35    HA   GLU   5           HA       GLU   5  16.861   3.847  -5.666
   36   1HB   GLU   5           HB2      GLU   5  19.299   3.179  -5.051
   37   2HB   GLU   5           HB1      GLU   5  18.805   3.510  -3.396
   38   1HG   GLU   5           HG2      GLU   5  16.724   2.002  -4.048
   39   2HG   GLU   5           HG1      GLU   5  17.827   1.380  -5.273
   40    H    GLU   6           HN       GLU   6  17.943   5.995  -3.091
   41    HA   GLU   6           HA       GLU   6  15.981   5.289  -1.146
   42   1HB   GLU   6           HB2      GLU   6  17.789   7.583  -1.632
   43   2HB   GLU   6           HB1      GLU   6  16.380   7.924  -0.635
   44   1HG   GLU   6           HG2      GLU   6  16.954   6.101   0.885
   45   2HG   GLU   6           HG1      GLU   6  18.284   5.607  -0.159
   46    H    GLN   7           HN       GLN   7  13.841   5.409  -1.339
   47    HA   GLN   7           HA       GLN   7  12.625   7.163  -3.363
   48   1HB   GLN   7           HB2      GLN   7  11.744   4.894  -1.666
   49   2HB   GLN   7           HB1      GLN   7  10.506   6.072  -2.086
   50   1HG   GLN   7           HG2      GLN   7  10.663   4.247  -3.778
   51   2HG   GLN   7           HG1      GLN   7  11.045   5.820  -4.474
   52   1HE2  GLN   7          HE22      GLN   7  13.897   2.930  -4.299
   53   2HE2  GLN   7          HE21      GLN   7  12.350   2.677  -3.648
   54    H    ASN   8           HN       ASN   8  10.648   8.441  -2.693
   55    HA   ASN   8           HA       ASN   8  11.420  10.237  -0.516
   56   1HB   ASN   8           HB2      ASN   8   9.216  10.190  -2.560
   57   2HB   ASN   8           HB1      ASN   8   9.136  11.307  -1.200
   58   1HD2  ASN   8          HD22      ASN   8  11.325  13.558  -2.751
   59   2HD2  ASN   8          HD21      ASN   8  10.032  13.294  -1.683
   60    H    ASN   9           HN       ASN   9   9.743  10.913   1.111
   61    HA   ASN   9           HA       ASN   9   8.626   8.477   2.356
   62   1HB   ASN   9           HB2      ASN   9   8.337   9.860   4.341
   63   2HB   ASN   9           HB1      ASN   9   9.954  10.125   3.694
   64   1HD2  ASN   9          HD22      ASN   9   9.412  13.550   3.149
   65   2HD2  ASN   9          HD21      ASN   9  10.512  12.261   3.241
   66    H    ASP  10           HN       ASP  10   7.591  11.158   0.509
   67    HA   ASP  10           HA       ASP  10   4.749  10.756   1.329
   68   1HB   ASP  10           HB2      ASP  10   6.028  12.962  -0.310
   69   2HB   ASP  10           HB1      ASP  10   4.328  12.889   0.151
   70    H    ALA  11           HN       ALA  11   6.511   9.089  -0.540
   71    HA   ALA  11           HA       ALA  11   4.955   9.375  -3.063
   72   1HB   ALA  11           HB3      ALA  11   7.507   7.953  -2.333
   73   2HB   ALA  11           HB2      ALA  11   6.648   7.567  -3.821
   74   3HB   ALA  11           HB1      ALA  11   7.254   9.198  -3.553
   75    H    LEU  12           HN       LEU  12   4.046   7.451  -4.055
   76    HA   LEU  12           HA       LEU  12   2.751   5.731  -2.046
   77   1HB   LEU  12           HB2      LEU  12   2.445   5.930  -5.053
   78   2HB   LEU  12           HB1      LEU  12   1.491   4.860  -4.032
   79    HG   LEU  12           HG       LEU  12   1.626   7.716  -3.194
   80   1HD1  LEU  12          HD13      LEU  12   0.042   6.749  -5.600
   81   2HD1  LEU  12          HD12      LEU  12  -0.185   8.306  -4.808
   82   3HD1  LEU  12          HD11      LEU  12   1.333   7.946  -5.622
   83   1HD2  LEU  12          HD21      LEU  12   0.324   5.907  -2.015
   84   2HD2  LEU  12          HD23      LEU  12  -0.677   7.254  -2.546
   85   3HD2  LEU  12          HD22      LEU  12  -0.672   5.747  -3.457
   86    H    SER  13           HN       SER  13   2.498   3.325  -2.804
   87    HA   SER  13           HA       SER  13   5.246   2.310  -3.128
   88   1HB   SER  13           HB2      SER  13   4.440   1.009  -1.432
   89   2HB   SER  13           HB1      SER  13   2.755   1.300  -1.904
   90    HG   SER  13           HG1      SER  13   4.524  -0.178  -3.533
   91    HA   PRO  14           HA       PRO  14   4.357   1.371  -7.446
   92   1HB   PRO  14           HB2      PRO  14   6.300  -0.718  -7.608
   93   2HB   PRO  14           HB1      PRO  14   6.453   0.940  -8.189
   94   1HG   PRO  14           HG2      PRO  14   7.713  -0.273  -5.855
   95   2HG   PRO  14           HG1      PRO  14   7.969   1.343  -6.514
   96   1HD   PRO  14           HD1      PRO  14   6.555   0.660  -4.116
   97   2HD   PRO  14           HD2      PRO  14   6.709   2.267  -4.858
   98    H    ALA  15           HN       ALA  15   4.561  -1.022  -4.920
   99    HA   ALA  15           HA       ALA  15   3.259  -3.121  -6.501
  100   1HB   ALA  15           HB1      ALA  15   4.637  -2.934  -3.972
  101   2HB   ALA  15           HB3      ALA  15   3.099  -3.763  -3.759
  102   3HB   ALA  15           HB2      ALA  15   4.270  -4.368  -4.927
  103    H    ILE  16           HN       ILE  16   1.989  -0.398  -5.754
  104    HA   ILE  16           HA       ILE  16  -0.394  -1.330  -4.267
  105    HB   ILE  16           HB       ILE  16   0.778   0.975  -3.989
  106   1HG1  ILE  16          HG12      ILE  16  -2.209   0.603  -4.360
  107   2HG1  ILE  16          HG11      ILE  16  -1.299   0.502  -2.857
  108   1HG2  ILE  16          HG22      ILE  16   0.622   1.282  -6.572
  109   2HG2  ILE  16          HG21      ILE  16  -1.054   1.728  -6.264
  110   3HG2  ILE  16          HG23      ILE  16   0.253   2.666  -5.548
  111   1HD1  ILE  16           HD3      ILE  16  -0.602   2.963  -3.384
  112   2HD1  ILE  16           HD2      ILE  16  -1.976   2.949  -4.484
  113   3HD1  ILE  16           HD1      ILE  16  -2.224   2.669  -2.764
  114    NH1  ARG  17           NH2      ARG  17  -1.573   3.009 -10.041
  115    NH2  ARG  17           NH1      ARG  17  -1.197   2.756 -12.281
  116    H    ARG  17           HN       ARG  17   0.653  -0.809  -7.496
  117    HA   ARG  17           HA       ARG  17  -2.051  -0.542  -8.605
  118   1HB   ARG  17           HB2      ARG  17   0.334  -1.280 -10.264
  119   2HB   ARG  17           HB1      ARG  17  -1.017  -0.227 -10.667
  120   1HG   ARG  17           HG2      ARG  17  -0.171   1.395  -8.925
  121   2HG   ARG  17           HG1      ARG  17   1.254   0.377  -8.745
  122   1HD   ARG  17           HD2      ARG  17   2.176   1.458 -10.504
  123   2HD   ARG  17           HD1      ARG  17   0.921   0.771 -11.532
  124    HE   ARG  17           HE       ARG  17   1.077   3.517 -10.770
  125   1HH1  ARG  17          HH21      ARG  17  -1.207   3.059  -9.112
  126   2HH1  ARG  17          HH22      ARG  17  -2.557   3.095 -10.196
  127   1HH2  ARG  17          HH11      ARG  17  -0.549   2.618 -13.031
  128   2HH2  ARG  17          HH12      ARG  17  -2.175   2.839 -12.474
  129    NH1  ARG  18           NH1      ARG  18   1.588  -9.319  -9.947
  130    NH2  ARG  18           NH2      ARG  18   3.044  -8.940 -11.667
  131    H    ARG  18           HN       ARG  18   0.226  -3.075  -7.930
  132    HA   ARG  18           HA       ARG  18  -1.331  -5.041  -9.505
  133   1HB   ARG  18           HB2      ARG  18   1.208  -5.306  -7.875
  134   2HB   ARG  18           HB1      ARG  18   0.458  -6.630  -8.759
  135   1HG   ARG  18           HG2      ARG  18   0.677  -4.343 -10.498
  136   2HG   ARG  18           HG1      ARG  18   2.248  -4.668  -9.775
  137   1HD   ARG  18           HD2      ARG  18   0.516  -6.773 -11.117
  138   2HD   ARG  18           HD1      ARG  18   1.874  -5.959 -11.893
  139    HE   ARG  18           HE       ARG  18   3.067  -6.952  -9.660
  140   1HH1  ARG  18          HH11      ARG  18   1.067  -8.963  -9.171
  141   2HH1  ARG  18          HH12      ARG  18   1.529 -10.289 -10.186
  142   1HH2  ARG  18          HH21      ARG  18   3.613  -8.299 -12.181
  143   2HH2  ARG  18          HH22      ARG  18   3.008  -9.903 -11.934
  144    H    LEU  19           HN       LEU  19  -1.743  -3.629  -6.632
  145    HA   LEU  19           HA       LEU  19  -2.262  -6.003  -4.988
  146   1HB   LEU  19           HB2      LEU  19  -1.507  -3.741  -4.096
  147   2HB   LEU  19           HB1      LEU  19  -3.135  -3.163  -4.429
  148    HG   LEU  19           HG       LEU  19  -3.736  -5.441  -3.091
  149   1HD1  LEU  19          HD12      LEU  19  -1.150  -5.693  -2.807
  150   2HD1  LEU  19          HD11      LEU  19  -1.317  -4.421  -1.602
  151   3HD1  LEU  19          HD13      LEU  19  -2.173  -5.947  -1.397
  152   1HD2  LEU  19          HD21      LEU  19  -3.027  -2.732  -1.913
  153   2HD2  LEU  19          HD23      LEU  19  -4.602  -3.231  -2.523
  154   3HD2  LEU  19          HD22      LEU  19  -3.950  -3.968  -1.064
  155    H    LEU  20           HN       LEU  20  -4.262  -3.412  -6.395
  156    HA   LEU  20           HA       LEU  20  -6.780  -4.536  -5.696
  157   1HB   LEU  20           HB2      LEU  20  -6.014  -2.790  -8.049
  158   2HB   LEU  20           HB1      LEU  20  -7.671  -3.133  -7.567
  159    HG   LEU  20           HG       LEU  20  -5.822  -2.155  -5.438
  160   1HD1  LEU  20          HD12      LEU  20  -6.959  -0.405  -7.647
  161   2HD1  LEU  20          HD11      LEU  20  -6.276   0.208  -6.144
  162   3HD1  LEU  20          HD13      LEU  20  -5.253  -0.656  -7.289
  163   1HD2  LEU  20          HD21      LEU  20  -8.356  -2.772  -5.300
  164   2HD2  LEU  20          HD23      LEU  20  -7.821  -1.281  -4.530
  165   3HD2  LEU  20          HD22      LEU  20  -8.616  -1.225  -6.101
  166    H    ALA  21           HN       ALA  21  -4.444  -5.660  -7.845
  167    HA   ALA  21           HA       ALA  21  -6.383  -7.054  -9.595
  168   1HB   ALA  21           HB2      ALA  21  -3.670  -6.184  -9.844
  169   2HB   ALA  21           HB1      ALA  21  -3.710  -7.930 -10.065
  170   3HB   ALA  21           HB3      ALA  21  -4.704  -6.892 -11.081
  171    H    GLU  22           HN       GLU  22  -4.592  -7.603  -6.743
  172    HA   GLU  22           HA       GLU  22  -4.572 -10.536  -7.046
  173   1HB   GLU  22           HB2      GLU  22  -2.690  -9.464  -5.907
  174   2HB   GLU  22           HB1      GLU  22  -3.784  -8.752  -4.727
  175   1HG   GLU  22           HG2      GLU  22  -3.997 -10.709  -3.567
  176   2HG   GLU  22           HG1      GLU  22  -4.068 -11.679  -5.036
  177    H    HIS  23           HN       HIS  23  -6.307  -8.056  -5.247
  178    HA   HIS  23           HA       HIS  23  -8.036 -10.141  -4.017
  179   1HB   HIS  23           HB2      HIS  23  -8.155  -7.166  -3.513
  180   2HB   HIS  23           HB1      HIS  23  -8.754  -8.465  -2.485
  181    HD1  HIS  23           HD1      HIS  23  -6.479 -10.181  -2.113
  182    HD2  HIS  23           HD2      HIS  23  -5.885  -6.177  -2.382
  183    HE1  HIS  23           HE1      HIS  23  -4.329  -9.798  -1.055
  184    H    ASN  24           HN       ASN  24  -7.970  -7.909  -6.586
  185    HA   ASN  24           HA       ASN  24  -9.612  -7.233  -8.126
  186   1HB   ASN  24           HB2      ASN  24  -9.775  -9.819  -8.119
  187   2HB   ASN  24           HB1      ASN  24 -11.246  -9.581  -7.178
  188   1HD2  ASN  24          HD22      ASN  24 -11.190  -8.637 -11.148
  189   2HD2  ASN  24          HD21      ASN  24  -9.757  -9.059 -10.343
  190    H    LEU  25           HN       LEU  25  -9.918  -5.475  -6.419
  191    HA   LEU  25           HA       LEU  25 -12.803  -5.412  -5.696
  192   1HB   LEU  25           HB2      LEU  25 -10.481  -5.221  -3.834
  193   2HB   LEU  25           HB1      LEU  25 -11.852  -4.158  -3.534
  194    HG   LEU  25           HG       LEU  25 -12.346  -7.072  -4.093
  195   1HD1  LEU  25          HD12      LEU  25 -11.571  -5.886  -1.403
  196   2HD1  LEU  25          HD11      LEU  25 -12.157  -7.526  -1.662
  197   3HD1  LEU  25          HD13      LEU  25 -10.608  -7.029  -2.333
  198   1HD2  LEU  25          HD21      LEU  25 -14.031  -4.996  -3.714
  199   2HD2  LEU  25          HD23      LEU  25 -14.423  -6.630  -3.189
  200   3HD2  LEU  25          HD22      LEU  25 -13.788  -5.463  -2.034
  201    H    ASP  26           HN       ASP  26 -13.606  -3.672  -6.678
  202    HA   ASP  26           HA       ASP  26 -12.055  -1.561  -7.785
  203   1HB   ASP  26           HB2      ASP  26 -14.581  -2.302  -8.144
  204   2HB   ASP  26           HB1      ASP  26 -14.878  -1.041  -6.950
  205    H    ALA  27           HN       ALA  27 -10.808  -0.249  -6.601
  206    HA   ALA  27           HA       ALA  27 -11.087   0.343  -3.855
  207   1HB   ALA  27           HB3      ALA  27  -9.494   1.307  -6.083
  208   2HB   ALA  27           HB2      ALA  27  -9.918   2.621  -4.991
  209   3HB   ALA  27           HB1      ALA  27  -9.071   1.205  -4.378
  210    H    SER  28           HN       SER  28 -12.589   1.812  -6.650
  211    HA   SER  28           HA       SER  28 -13.506   4.240  -5.567
  212   1HB   SER  28           HB2      SER  28 -15.196   2.476  -7.362
  213   2HB   SER  28           HB1      SER  28 -15.140   4.249  -7.311
  214    HG   SER  28           HG1      SER  28 -13.808   3.249  -8.977
  215    H    ALA  29           HN       ALA  29 -14.407   1.022  -4.768
  216    HA   ALA  29           HA       ALA  29 -16.909   1.885  -3.442
  217   1HB   ALA  29           HB2      ALA  29 -15.595  -0.826  -3.745
  218   2HB   ALA  29           HB1      ALA  29 -17.108  -0.558  -2.885
  219   3HB   ALA  29           HB3      ALA  29 -17.008  -0.232  -4.613
  220    H    ILE  30           HN       ILE  30 -13.612   1.167  -2.701
  221    HA   ILE  30           HA       ILE  30 -14.144   0.884   0.185
  222    HB   ILE  30           HB       ILE  30 -11.479   1.086  -1.246
  223   1HG1  ILE  30          HG12      ILE  30 -12.699  -0.779  -2.207
  224   2HG1  ILE  30          HG11      ILE  30 -11.501  -1.434  -1.103
  225   1HG2  ILE  30          HG22      ILE  30 -12.284   0.795   1.545
  226   2HG2  ILE  30          HG21      ILE  30 -11.277  -0.551   1.026
  227   3HG2  ILE  30          HG23      ILE  30 -10.688   1.099   0.872
  228   1HD1  ILE  30           HD2      ILE  30 -13.455  -1.305   0.664
  229   2HD1  ILE  30           HD1      ILE  30 -14.489  -1.241  -0.757
  230   3HD1  ILE  30           HD3      ILE  30 -13.435  -2.627  -0.498
  231    H    LYS  31           HN       LYS  31 -13.803   2.443   1.699
  232    HA   LYS  31           HA       LYS  31 -13.772   5.194   0.877
  233   1HB   LYS  31           HB2      LYS  31 -13.886   3.699   3.392
  234   2HB   LYS  31           HB1      LYS  31 -13.005   5.215   3.535
  235   1HG   LYS  31           HG2      LYS  31 -14.892   6.443   2.569
  236   2HG   LYS  31           HG1      LYS  31 -15.765   4.939   2.299
  237   1HD   LYS  31           HD2      LYS  31 -15.580   4.527   4.813
  238   2HD   LYS  31           HD1      LYS  31 -15.018   6.189   4.955
  239   1HE   LYS  31           HE2      LYS  31 -17.164   6.742   3.535
  240   2HE   LYS  31           HE1      LYS  31 -17.719   5.173   4.103
  241   1HZ   LYS  31           HZ2      LYS  31 -16.602   6.996   6.087
  242   2HZ   LYS  31           HZ1      LYS  31 -18.131   7.379   5.453
  243   3HZ   LYS  31           HZ3      LYS  31 -17.882   5.886   6.224
  244    H    GLY  32           HN       GLY  32 -12.109   6.753   1.890
  245   1HA   GLY  32           HA2      GLY  32  -9.364   5.639   1.900
  246   2HA   GLY  32           HA1      GLY  32  -9.732   6.842   0.667
  247    H    THR  33           HN       THR  33  -9.458   6.277   4.122
  248    HA   THR  33           HA       THR  33  -9.675   9.181   4.665
  249    HB   THR  33           HB       THR  33  -9.457   8.399   7.096
  250    HG1  THR  33           HG1      THR  33  -9.062   6.106   5.548
  251   1HG2  THR  33          HG22      THR  33 -11.695   8.366   5.555
  252   2HG2  THR  33          HG21      THR  33 -11.539   6.640   5.866
  253   3HG2  THR  33          HG23      THR  33 -11.695   7.767   7.211
  254    H    GLY  34           HN       GLY  34  -7.383   7.812   3.231
  255   1HA   GLY  34           HA2      GLY  34  -5.072   7.760   4.882
  256   2HA   GLY  34           HA1      GLY  34  -5.052   8.067   3.148
  257    H    VAL  35           HN       VAL  35  -3.219   9.485   4.032
  258    HA   VAL  35           HA       VAL  35  -3.787  11.876   5.488
  259    HB   VAL  35           HB       VAL  35  -1.655  11.591   3.362
  260   1HG1  VAL  35          HG11      VAL  35  -1.864  13.152   5.962
  261   2HG1  VAL  35          HG13      VAL  35  -0.425  13.086   4.948
  262   3HG1  VAL  35          HG12      VAL  35  -1.900  13.830   4.337
  263   1HG2  VAL  35          HG23      VAL  35  -1.665  10.613   6.239
  264   2HG2  VAL  35          HG22      VAL  35  -1.585   9.601   4.800
  265   3HG2  VAL  35          HG21      VAL  35  -0.242  10.666   5.205
  266    H    GLY  36           HN       GLY  36  -5.260  13.332   4.868
  267   1HA   GLY  36           HA2      GLY  36  -5.922  15.183   3.474
  268   2HA   GLY  36           HA1      GLY  36  -5.060  14.443   2.129
  269    H    GLY  37           HN       GLY  37  -6.723  12.022   3.592
  270   1HA   GLY  37           HA2      GLY  37  -8.900  11.102   3.280
  271   2HA   GLY  37           HA1      GLY  37  -9.344  12.538   2.359
  272    NH1  ARG  38           NH1      ARG  38  -5.302  13.897  -4.093
  273    NH2  ARG  38           NH2      ARG  38  -6.113  15.185  -2.387
  274    H    ARG  38           HN       ARG  38  -6.419  10.807   1.643
  275    HA   ARG  38           HA       ARG  38  -7.583  10.034  -0.989
  276   1HB   ARG  38           HB2      ARG  38  -4.707  10.255  -0.072
  277   2HB   ARG  38           HB1      ARG  38  -5.210   9.790  -1.693
  278   1HG   ARG  38           HG2      ARG  38  -6.438  11.963  -1.891
  279   2HG   ARG  38           HG1      ARG  38  -5.810  12.428  -0.313
  280   1HD   ARG  38           HD2      ARG  38  -3.477  12.071  -1.224
  281   2HD   ARG  38           HD1      ARG  38  -4.197  11.837  -2.816
  282    HE   ARG  38           HE       ARG  38  -3.757  14.379  -1.568
  283   1HH1  ARG  38          HH11      ARG  38  -4.645  13.214  -4.412
  284   2HH1  ARG  38          HH12      ARG  38  -5.981  14.273  -4.724
  285   1HH2  ARG  38          HH21      ARG  38  -6.063  15.467  -1.429
  286   2HH2  ARG  38          HH22      ARG  38  -6.805  15.582  -2.990
  287    H    LEU  39           HN       LEU  39  -7.162   7.936  -1.857
  288    HA   LEU  39           HA       LEU  39  -7.433   5.808   0.076
  289   1HB   LEU  39           HB2      LEU  39  -8.324   5.843  -2.319
  290   2HB   LEU  39           HB1      LEU  39  -6.681   5.478  -2.832
  291    HG   LEU  39           HG       LEU  39  -6.952   3.595  -0.918
  292   1HD1  LEU  39          HD13      LEU  39  -9.314   4.411  -0.481
  293   2HD1  LEU  39          HD12      LEU  39  -9.733   3.859  -2.101
  294   3HD1  LEU  39          HD11      LEU  39  -9.200   2.701  -0.886
  295   1HD2  LEU  39          HD23      LEU  39  -8.014   3.399  -3.758
  296   2HD2  LEU  39          HD22      LEU  39  -6.333   3.199  -3.276
  297   3HD2  LEU  39          HD21      LEU  39  -7.543   2.031  -2.755
  298    H    THR  40           HN       THR  40  -5.946   4.278   0.741
  299    HA   THR  40           HA       THR  40  -3.156   4.515  -0.260
  300    HB   THR  40           HB       THR  40  -2.408   4.444   2.234
  301    HG1  THR  40           HG1      THR  40  -4.519   3.919   2.963
  302   1HG2  THR  40          HG23      THR  40  -2.371   6.564   0.795
  303   2HG2  THR  40          HG22      THR  40  -3.987   6.906   1.405
  304   3HG2  THR  40          HG21      THR  40  -2.620   6.852   2.514
  305    NH1  ARG  41           NH1      ARG  41   2.948  -0.278   1.212
  306    NH2  ARG  41           NH2      ARG  41   3.588  -1.247  -0.756
  307    H    ARG  41           HN       ARG  41  -1.775   2.743   0.824
  308    HA   ARG  41           HA       ARG  41  -3.072   0.205   0.320
  309   1HB   ARG  41           HB2      ARG  41  -0.527   0.963   0.148
  310   2HB   ARG  41           HB1      ARG  41  -0.479   0.350   1.797
  311   1HG   ARG  41           HG2      ARG  41  -1.655  -1.751   0.860
  312   2HG   ARG  41           HG1      ARG  41  -1.208  -1.143  -0.729
  313   1HD   ARG  41           HD2      ARG  41   0.748  -1.635   1.544
  314   2HD   ARG  41           HD1      ARG  41   0.498  -2.724   0.180
  315    HE   ARG  41           HE       ARG  41   1.102  -0.426  -1.121
  316   1HH1  ARG  41          HH11      ARG  41   2.213   0.052   1.805
  317   2HH1  ARG  41          HH12      ARG  41   3.900  -0.205   1.509
  318   1HH2  ARG  41          HH21      ARG  41   3.333  -1.643  -1.637
  319   2HH2  ARG  41          HH22      ARG  41   4.551  -1.190  -0.492
  320    H    GLU  42           HN       GLU  42  -3.169   2.228   2.940
  321    HA   GLU  42           HA       GLU  42  -3.296   0.050   4.950
  322   1HB   GLU  42           HB2      GLU  42  -3.288   3.059   5.120
  323   2HB   GLU  42           HB1      GLU  42  -3.713   2.066   6.509
  324   1HG   GLU  42           HG2      GLU  42  -1.561   0.937   6.437
  325   2HG   GLU  42           HG1      GLU  42  -1.145   1.737   4.923
  326    H    ASP  43           HN       ASP  43  -5.337   1.745   2.875
  327    HA   ASP  43           HA       ASP  43  -7.703   1.525   4.633
  328   1HB   ASP  43           HB2      ASP  43  -7.099   2.813   2.011
  329   2HB   ASP  43           HB1      ASP  43  -8.769   2.348   2.326
  330    H    VAL  44           HN       VAL  44  -6.784   0.393   1.382
  331    HA   VAL  44           HA       VAL  44  -8.923  -1.385   0.963
  332    HB   VAL  44           HB       VAL  44  -6.034  -1.741   0.117
  333   1HG1  VAL  44          HG12      VAL  44  -8.637  -2.948  -0.875
  334   2HG1  VAL  44          HG11      VAL  44  -7.117  -3.045  -1.757
  335   3HG1  VAL  44          HG13      VAL  44  -7.270  -3.813  -0.180
  336   1HG2  VAL  44          HG21      VAL  44  -8.403  -0.389  -1.221
  337   2HG2  VAL  44          HG23      VAL  44  -6.969   0.418  -0.596
  338   3HG2  VAL  44          HG22      VAL  44  -6.838  -0.659  -1.983
  339    H    GLU  45           HN       GLU  45  -5.891  -1.910   2.702
  340    HA   GLU  45           HA       GLU  45  -6.244  -4.703   3.191
  341   1HB   GLU  45           HB2      GLU  45  -4.480  -2.583   4.097
  342   2HB   GLU  45           HB1      GLU  45  -4.895  -3.670   5.417
  343   1HG   GLU  45           HG2      GLU  45  -3.949  -4.632   2.699
  344   2HG   GLU  45           HG1      GLU  45  -2.872  -4.397   4.074
  345    H    LYS  46           HN       LYS  46  -7.355  -1.842   4.917
  346    HA   LYS  46           HA       LYS  46  -8.329  -3.144   7.257
  347   1HB   LYS  46           HB2      LYS  46  -8.149  -0.580   6.571
  348   2HB   LYS  46           HB1      LYS  46  -9.830  -0.825   6.113
  349   1HG   LYS  46           HG2      LYS  46 -10.115  -0.260   8.346
  350   2HG   LYS  46           HG1      LYS  46  -9.945  -2.004   8.504
  351   1HD   LYS  46           HD2      LYS  46  -7.514  -1.720   8.928
  352   2HD   LYS  46           HD1      LYS  46  -7.702   0.024   8.793
  353   1HE   LYS  46           HE2      LYS  46  -9.684  -0.770  10.618
  354   2HE   LYS  46           HE1      LYS  46  -8.265  -1.708  11.062
  355   1HZ   LYS  46           HZ2      LYS  46  -6.983   0.358  11.089
  356   2HZ   LYS  46           HZ1      LYS  46  -8.394   1.238  10.748
  357   3HZ   LYS  46           HZ3      LYS  46  -8.260   0.381  12.208
  358    H    HIS  47           HN       HIS  47  -9.393  -3.285   4.038
  359    HA   HIS  47           HA       HIS  47 -12.181  -3.952   4.706
  360   1HB   HIS  47           HB2      HIS  47 -11.184  -2.804   2.525
  361   2HB   HIS  47           HB1      HIS  47 -11.014  -4.479   2.004
  362    HD1  HIS  47           HD1      HIS  47 -13.715  -2.385   3.476
  363    HD2  HIS  47           HD2      HIS  47 -13.293  -5.495   0.902
  364    HE1  HIS  47           HE1      HIS  47 -15.959  -2.834   2.664
  365    H    LEU  48           HN       LEU  48  -9.314  -5.616   3.443
  366    HA   LEU  48           HA       LEU  48 -10.523  -8.203   3.232
  367   1HB   LEU  48           HB2      LEU  48  -7.612  -7.657   3.847
  368   2HB   LEU  48           HB1      LEU  48  -8.287  -9.051   3.013
  369    HG   LEU  48           HG       LEU  48  -8.359  -6.184   2.009
  370   1HD1  LEU  48          HD12      LEU  48  -6.835  -8.629   1.041
  371   2HD1  LEU  48          HD11      LEU  48  -6.827  -7.048   0.267
  372   3HD1  LEU  48          HD13      LEU  48  -6.124  -7.248   1.870
  373   1HD2  LEU  48          HD22      LEU  48  -9.550  -8.777   1.032
  374   2HD2  LEU  48          HD21      LEU  48 -10.305  -7.188   1.135
  375   3HD2  LEU  48          HD23      LEU  48  -9.112  -7.516  -0.117
  376    H    ALA  49           HN       ALA  49  -9.209  -6.425   5.912
  377    HA   ALA  49           HA       ALA  49  -8.954  -8.709   7.689
  378   1HB   ALA  49           HB3      ALA  49  -7.690  -6.600   8.028
  379   2HB   ALA  49           HB2      ALA  49  -9.204  -5.763   8.356
  380   3HB   ALA  49           HB1      ALA  49  -8.641  -7.027   9.446
  381    H    LYS  50           HN       LYS  50 -10.493  -6.575   9.569
  382    HA   LYS  50           HA       LYS  50 -12.714  -8.175  10.178
  383   1HB   LYS  50           HB2      LYS  50 -12.386  -5.176  10.414
  384   2HB   LYS  50           HB1      LYS  50 -13.714  -6.073  11.140
  385   1HG   LYS  50           HG2      LYS  50 -12.336  -7.127  12.688
  386   2HG   LYS  50           HG1      LYS  50 -10.919  -7.028  11.648
  387   1HD   LYS  50           HD2      LYS  50 -10.740  -5.464  13.565
  388   2HD   LYS  50           HD1      LYS  50 -10.790  -4.596  12.035
  389   1HE   LYS  50           HE2      LYS  50 -12.311  -3.688  13.887
  390   2HE   LYS  50           HE1      LYS  50 -13.087  -3.998  12.339
  391   1HZ   LYS  50           HZ1      LYS  50 -13.026  -6.128  14.354
  392   2HZ   LYS  50           HZ3      LYS  50 -14.139  -4.858  14.529
  393   3HZ   LYS  50           HZ2      LYS  50 -14.169  -5.826  13.134
  394    H    ALA  51           HN       ALA  51 -13.408  -4.997   8.854
  395    HA   ALA  51           HA       ALA  51 -14.663  -5.988   6.435
  396   1HB   ALA  51           HB2      ALA  51 -16.273  -5.669   8.911
  397   2HB   ALA  51           HB1      ALA  51 -16.979  -5.032   7.430
  398   3HB   ALA  51           HB3      ALA  51 -16.534  -6.732   7.532
   
 Raw file had 398 H/Q atoms
  Start of MODEL    7
    1    OH   TYR   1           OH       TYR   1  30.927   8.063   7.655
    2   1H    TYR   1           HT2      TYR   1  28.935  13.670   2.910
    3   2H    TYR   1           HT1      TYR   1  29.811  12.852   4.113
    4   3H    TYR   1           HT3      TYR   1  29.557  12.120   2.601
    5    HA   TYR   1           HA       TYR   1  27.843  11.098   3.544
    6   1HB   TYR   1           HB2      TYR   1  28.190  13.186   5.682
    7   2HB   TYR   1           HB1      TYR   1  26.780  12.128   5.685
    8    HD1  TYR   1           HD1      TYR   1  30.503  12.113   5.676
    9    HD2  TYR   1           HD2      TYR   1  26.966   9.867   6.408
   10    HE1  TYR   1           HE1      TYR   1  31.848  10.317   6.664
   11    HE2  TYR   1           HE2      TYR   1  28.311   8.072   7.397
   12    HH   TYR   1           HH       TYR   1  31.420   7.638   6.949
   13    H    ALA   2           HN       ALA   2  26.340  13.802   4.929
   14    HA   ALA   2           HA       ALA   2  24.015  13.772   3.434
   15   1HB   ALA   2           HB2      ALA   2  25.352  15.703   5.149
   16   2HB   ALA   2           HB1      ALA   2  24.421  16.497   3.884
   17   3HB   ALA   2           HB3      ALA   2  23.632  15.367   4.980
   18    H    SER   3           HN       SER   3  23.249  14.795   1.577
   19    HA   SER   3           HA       SER   3  25.211  16.251  -0.107
   20   1HB   SER   3           HB2      SER   3  23.654  13.847  -1.125
   21   2HB   SER   3           HB1      SER   3  24.832  14.812  -2.037
   22    HG   SER   3           HG1      SER   3  26.413  14.219  -0.571
   23    H    LEU   4           HN       LEU   4  23.222  15.675  -2.362
   24    HA   LEU   4           HA       LEU   4  21.443  17.948  -1.702
   25   1HB   LEU   4           HB2      LEU   4  21.533  16.506  -4.344
   26   2HB   LEU   4           HB1      LEU   4  21.096  18.180  -4.023
   27    HG   LEU   4           HG       LEU   4  23.862  16.951  -3.791
   28   1HD1  LEU   4          HD12      LEU   4  22.557  17.949  -6.000
   29   2HD1  LEU   4          HD11      LEU   4  23.386  19.380  -5.398
   30   3HD1  LEU   4          HD13      LEU   4  24.306  17.935  -5.801
   31   1HD2  LEU   4          HD21      LEU   4  22.751  19.635  -2.946
   32   2HD2  LEU   4          HD23      LEU   4  23.714  18.511  -1.994
   33   3HD2  LEU   4          HD22      LEU   4  24.460  19.417  -3.306
   34    H    GLU   5           HN       GLU   5  21.248  14.564  -2.706
   35    HA   GLU   5           HA       GLU   5  18.313  14.585  -2.543
   36   1HB   GLU   5           HB2      GLU   5  20.305  12.358  -3.031
   37   2HB   GLU   5           HB1      GLU   5  18.558  12.144  -3.060
   38   1HG   GLU   5           HG2      GLU   5  20.008  14.177  -4.784
   39   2HG   GLU   5           HG1      GLU   5  19.611  12.553  -5.337
   40    H    GLU   6           HN       GLU   6  17.107  13.295  -1.064
   41    HA   GLU   6           HA       GLU   6  18.547  12.222   1.288
   42   1HB   GLU   6           HB2      GLU   6  17.017  13.526   2.823
   43   2HB   GLU   6           HB1      GLU   6  18.210  14.504   1.975
   44   1HG   GLU   6           HG2      GLU   6  16.570  15.215   0.340
   45   2HG   GLU   6           HG1      GLU   6  15.381  14.075   0.965
   46    H    GLN   7           HN       GLN   7  16.457  11.758   2.959
   47    HA   GLN   7           HA       GLN   7  14.971   9.699   1.463
   48   1HB   GLN   7           HB2      GLN   7  15.224  10.379   4.394
   49   2HB   GLN   7           HB1      GLN   7  14.097   9.159   3.809
   50   1HG   GLN   7           HG2      GLN   7  15.989   7.969   2.707
   51   2HG   GLN   7           HG1      GLN   7  17.103   9.170   3.357
   52   1HE2  GLN   7          HE22      GLN   7  16.073   6.075   5.653
   53   2HE2  GLN   7          HE21      GLN   7  15.819   6.137   3.976
   54    H    ASN   8           HN       ASN   8  13.619  11.108   0.215
   55    HA   ASN   8           HA       ASN   8  11.244  12.025   1.754
   56   1HB   ASN   8           HB2      ASN   8  12.902  13.694  -0.134
   57   2HB   ASN   8           HB1      ASN   8  11.212  14.073   0.190
   58   1HD2  ASN   8          HD22      ASN   8  12.227  15.891   3.020
   59   2HD2  ASN   8          HD21      ASN   8  11.339  15.860   1.575
   60    H    ASN   9           HN       ASN   9  11.843   9.744  -0.023
   61    HA   ASN   9           HA       ASN   9  10.544  10.239  -2.568
   62   1HB   ASN   9           HB2      ASN   9  11.170   7.674  -1.083
   63   2HB   ASN   9           HB1      ASN   9  10.516   7.728  -2.718
   64   1HD2  ASN   9          HD22      ASN   9  14.256   9.389  -2.246
   65   2HD2  ASN   9          HD21      ASN   9  13.064   9.685  -1.075
   66    H    ASP  10           HN       ASP  10   8.655  11.363  -1.570
   67    HA   ASP  10           HA       ASP  10   6.691   9.636  -0.215
   68   1HB   ASP  10           HB2      ASP  10   6.983  12.038   0.411
   69   2HB   ASP  10           HB1      ASP  10   6.390  12.492  -1.186
   70    H    ALA  11           HN       ALA  11   5.766   8.171  -1.548
   71    HA   ALA  11           HA       ALA  11   3.919   9.056  -3.574
   72   1HB   ALA  11           HB3      ALA  11   6.489   7.766  -4.531
   73   2HB   ALA  11           HB2      ALA  11   5.061   8.007  -5.532
   74   3HB   ALA  11           HB1      ALA  11   5.939   9.397  -4.899
   75    H    LEU  12           HN       LEU  12   2.577   7.373  -4.292
   76    HA   LEU  12           HA       LEU  12   2.046   5.238  -2.605
   77   1HB   LEU  12           HB2      LEU  12   1.724   5.271  -5.617
   78   2HB   LEU  12           HB1      LEU  12   0.918   4.148  -4.527
   79    HG   LEU  12           HG       LEU  12   0.657   7.039  -3.865
   80   1HD1  LEU  12          HD13      LEU  12  -0.629   5.728  -6.280
   81   2HD1  LEU  12          HD12      LEU  12  -1.273   7.180  -5.522
   82   3HD1  LEU  12          HD11      LEU  12   0.329   7.205  -6.249
   83   1HD2  LEU  12          HD22      LEU  12  -0.395   5.030  -2.658
   84   2HD2  LEU  12          HD21      LEU  12  -1.499   6.329  -3.101
   85   3HD2  LEU  12          HD23      LEU  12  -1.436   4.859  -4.067
   86    H    SER  13           HN       SER  13   2.322   2.850  -3.083
   87    HA   SER  13           HA       SER  13   5.181   2.378  -3.571
   88   1HB   SER  13           HB2      SER  13   3.444   0.074  -2.897
   89   2HB   SER  13           HB1      SER  13   4.969   0.591  -2.151
   90    HG   SER  13           HG1      SER  13   2.484   1.952  -1.932
   91    HA   PRO  14           HA       PRO  14   4.539   0.814  -7.695
   92   1HB   PRO  14           HB2      PRO  14   6.473  -1.267  -7.579
   93   2HB   PRO  14           HB1      PRO  14   6.689   0.353  -8.246
   94   1HG   PRO  14           HG2      PRO  14   7.726  -0.736  -5.725
   95   2HG   PRO  14           HG1      PRO  14   8.131   0.792  -6.509
   96   1HD   PRO  14           HD1      PRO  14   6.531   0.458  -4.171
   97   2HD   PRO  14           HD2      PRO  14   6.766   1.950  -5.103
   98    H    ALA  15           HN       ALA  15   5.032  -1.609  -5.154
   99    HA   ALA  15           HA       ALA  15   3.693  -3.755  -6.513
  100   1HB   ALA  15           HB2      ALA  15   5.166  -3.534  -4.212
  101   2HB   ALA  15           HB1      ALA  15   3.544  -3.780  -3.574
  102   3HB   ALA  15           HB3      ALA  15   4.246  -4.962  -4.673
  103    H    ILE  16           HN       ILE  16   2.414  -0.906  -5.563
  104    HA   ILE  16           HA       ILE  16  -0.046  -1.828  -4.311
  105    HB   ILE  16           HB       ILE  16   1.025   0.532  -4.196
  106   1HG1  ILE  16          HG12      ILE  16  -1.938   0.194  -4.775
  107   2HG1  ILE  16          HG11      ILE  16  -1.170  -0.071  -3.214
  108   1HG2  ILE  16          HG22      ILE  16   0.990   0.589  -6.806
  109   2HG2  ILE  16          HG21      ILE  16  -0.707   1.017  -6.612
  110   3HG2  ILE  16          HG23      ILE  16   0.545   2.051  -5.930
  111   1HD1  ILE  16           HD3      ILE  16  -0.321   2.343  -3.380
  112   2HD1  ILE  16           HD2      ILE  16  -1.436   2.537  -4.729
  113   3HD1  ILE  16           HD1      ILE  16  -2.053   2.153  -3.126
  114    NH1  ARG  17           NH2      ARG  17  -2.323   2.273 -12.465
  115    NH2  ARG  17           NH1      ARG  17  -1.795   3.783 -10.833
  116    H    ARG  17           HN       ARG  17   1.097  -1.489  -7.546
  117    HA   ARG  17           HA       ARG  17  -1.554  -1.440  -8.773
  118   1HB   ARG  17           HB2      ARG  17   1.215  -1.914  -9.899
  119   2HB   ARG  17           HB1      ARG  17  -0.242  -1.875 -10.887
  120   1HG   ARG  17           HG2      ARG  17  -0.149   0.410  -9.090
  121   2HG   ARG  17           HG1      ARG  17   1.300   0.337 -10.087
  122   1HD   ARG  17           HD2      ARG  17  -0.109   0.136 -12.118
  123   2HD   ARG  17           HD1      ARG  17  -1.558   0.216 -11.117
  124    HE   ARG  17           HE       ARG  17   0.379   2.479 -11.035
  125   1HH1  ARG  17          HH21      ARG  17  -2.095   1.437 -12.964
  126   2HH1  ARG  17          HH22      ARG  17  -3.152   2.783 -12.695
  127   1HH2  ARG  17          HH11      ARG  17  -1.171   4.079 -10.109
  128   2HH2  ARG  17          HH12      ARG  17  -2.615   4.318 -11.037
  129    NH1  ARG  18           NH1      ARG  18   5.385  -5.250 -10.758
  130    NH2  ARG  18           NH2      ARG  18   4.710  -3.285  -9.808
  131    H    ARG  18           HN       ARG  18   0.860  -3.855  -7.969
  132    HA   ARG  18           HA       ARG  18  -0.649  -5.992  -9.320
  133   1HB   ARG  18           HB2      ARG  18   1.873  -5.954  -7.657
  134   2HB   ARG  18           HB1      ARG  18   1.141  -7.451  -8.222
  135   1HG   ARG  18           HG2      ARG  18   2.856  -6.713  -9.820
  136   2HG   ARG  18           HG1      ARG  18   1.264  -6.610 -10.563
  137   1HD   ARG  18           HD2      ARG  18   1.233  -4.275 -10.487
  138   2HD   ARG  18           HD1      ARG  18   2.346  -4.201  -9.122
  139    HE   ARG  18           HE       ARG  18   3.118  -4.566 -11.959
  140   1HH1  ARG  18          HH11      ARG  18   5.163  -6.059 -11.303
  141   2HH1  ARG  18          HH12      ARG  18   6.311  -5.127 -10.401
  142   1HH2  ARG  18          HH21      ARG  18   3.981  -2.621  -9.640
  143   2HH2  ARG  18          HH22      ARG  18   5.624  -3.129  -9.436
  144    H    LEU  19           HN       LEU  19  -1.402  -4.331  -6.743
  145    HA   LEU  19           HA       LEU  19  -2.018  -6.642  -4.966
  146   1HB   LEU  19           HB2      LEU  19  -0.980  -4.306  -4.244
  147   2HB   LEU  19           HB1      LEU  19  -2.670  -3.820  -4.226
  148    HG   LEU  19           HG       LEU  19  -2.950  -6.113  -2.886
  149   1HD1  LEU  19          HD11      LEU  19  -0.475  -6.605  -3.200
  150   2HD1  LEU  19          HD13      LEU  19  -0.141  -5.241  -2.138
  151   3HD1  LEU  19          HD12      LEU  19  -1.022  -6.639  -1.526
  152   1HD2  LEU  19          HD23      LEU  19  -1.827  -3.557  -1.688
  153   2HD2  LEU  19          HD22      LEU  19  -3.525  -3.867  -2.035
  154   3HD2  LEU  19          HD21      LEU  19  -2.695  -4.800  -0.794
  155    H    LEU  20           HN       LEU  20  -3.691  -3.674  -6.011
  156    HA   LEU  20           HA       LEU  20  -6.310  -4.572  -5.414
  157   1HB   LEU  20           HB2      LEU  20  -5.496  -2.696  -7.648
  158   2HB   LEU  20           HB1      LEU  20  -7.085  -2.793  -6.900
  159    HG   LEU  20           HG       LEU  20  -4.513  -2.075  -5.445
  160   1HD1  LEU  20          HD11      LEU  20  -5.292  -0.326  -7.039
  161   2HD1  LEU  20          HD13      LEU  20  -6.872  -0.346  -6.262
  162   3HD1  LEU  20          HD12      LEU  20  -5.458   0.196  -5.365
  163   1HD2  LEU  20          HD21      LEU  20  -7.366  -2.507  -4.602
  164   2HD2  LEU  20          HD23      LEU  20  -5.881  -2.957  -3.771
  165   3HD2  LEU  20          HD22      LEU  20  -6.415  -1.280  -3.773
  166    H    ALA  21           HN       ALA  21  -4.444  -4.840  -8.415
  167    HA   ALA  21           HA       ALA  21  -6.560  -6.128  -9.899
  168   1HB   ALA  21           HB1      ALA  21  -3.564  -6.029 -10.308
  169   2HB   ALA  21           HB3      ALA  21  -4.672  -6.781 -11.451
  170   3HB   ALA  21           HB2      ALA  21  -4.785  -5.055 -11.122
  171    H    GLU  22           HN       GLU  22  -4.848  -7.190  -7.289
  172    HA   GLU  22           HA       GLU  22  -4.748 -10.024  -8.191
  173   1HB   GLU  22           HB2      GLU  22  -2.813  -8.916  -6.949
  174   2HB   GLU  22           HB1      GLU  22  -3.845  -8.931  -5.524
  175   1HG   GLU  22           HG2      GLU  22  -2.560 -10.954  -5.416
  176   2HG   GLU  22           HG1      GLU  22  -4.165 -11.439  -5.958
  177    H    HIS  23           HN       HIS  23  -6.183  -7.977  -5.683
  178    HA   HIS  23           HA       HIS  23  -7.860 -10.254  -4.783
  179   1HB   HIS  23           HB2      HIS  23  -7.755  -7.435  -3.684
  180   2HB   HIS  23           HB1      HIS  23  -8.460  -8.851  -2.907
  181    HD1  HIS  23           HD1      HIS  23  -6.658 -10.676  -2.281
  182    HD2  HIS  23           HD2      HIS  23  -5.047  -7.090  -3.284
  183    HE1  HIS  23           HE1      HIS  23  -4.374 -10.768  -1.465
  184    H    ASN  24           HN       ASN  24  -8.011  -8.016  -7.157
  185    HA   ASN  24           HA       ASN  24  -9.778  -6.972  -8.323
  186   1HB   ASN  24           HB2      ASN  24 -10.907  -9.602  -7.382
  187   2HB   ASN  24           HB1      ASN  24 -11.874  -8.500  -8.358
  188   1HD2  ASN  24          HD22      ASN  24  -9.226 -10.842 -10.196
  189   2HD2  ASN  24          HD21      ASN  24  -9.793 -11.096  -8.616
  190    H    LEU  25           HN       LEU  25  -9.780  -5.268  -6.633
  191    HA   LEU  25           HA       LEU  25 -12.451  -5.168  -5.314
  192   1HB   LEU  25           HB2      LEU  25  -9.771  -4.928  -4.028
  193   2HB   LEU  25           HB1      LEU  25 -11.044  -3.857  -3.455
  194    HG   LEU  25           HG       LEU  25 -11.604  -6.799  -3.802
  195   1HD1  LEU  25          HD11      LEU  25 -10.172  -5.439  -1.502
  196   2HD1  LEU  25          HD13      LEU  25 -11.006  -6.979  -1.321
  197   3HD1  LEU  25          HD12      LEU  25  -9.637  -6.843  -2.420
  198   1HD2  LEU  25          HD22      LEU  25 -13.205  -4.700  -3.149
  199   2HD2  LEU  25          HD21      LEU  25 -13.480  -6.334  -2.553
  200   3HD2  LEU  25          HD23      LEU  25 -12.640  -5.159  -1.545
  201    H    ASP  26           HN       ASP  26 -13.433  -3.523  -6.310
  202    HA   ASP  26           HA       ASP  26 -11.966  -1.303  -7.482
  203   1HB   ASP  26           HB2      ASP  26 -14.936  -1.637  -6.980
  204   2HB   ASP  26           HB1      ASP  26 -14.205  -0.407  -8.008
  205    H    ALA  27           HN       ALA  27 -11.086   0.249  -6.269
  206    HA   ALA  27           HA       ALA  27 -11.597   0.781  -3.560
  207   1HB   ALA  27           HB1      ALA  27 -10.628   2.630  -5.751
  208   2HB   ALA  27           HB3      ALA  27 -10.623   3.066  -4.044
  209   3HB   ALA  27           HB2      ALA  27  -9.644   1.717  -4.612
  210    H    SER  28           HN       SER  28 -13.482   1.574  -6.311
  211    HA   SER  28           HA       SER  28 -14.870   3.880  -5.534
  212   1HB   SER  28           HB2      SER  28 -15.157   2.463  -7.678
  213   2HB   SER  28           HB1      SER  28 -16.321   1.515  -6.732
  214    HG   SER  28           HG1      SER  28 -16.336   4.279  -7.326
  215    H    ALA  29           HN       ALA  29 -15.168   0.607  -4.334
  216    HA   ALA  29           HA       ALA  29 -17.590   1.140  -2.802
  217   1HB   ALA  29           HB3      ALA  29 -16.043  -1.141  -3.501
  218   2HB   ALA  29           HB2      ALA  29 -16.121  -1.081  -1.743
  219   3HB   ALA  29           HB1      ALA  29 -17.605  -1.105  -2.691
  220    H    ILE  30           HN       ILE  30 -14.136   1.187  -2.198
  221    HA   ILE  30           HA       ILE  30 -14.588   1.787   0.664
  222    HB   ILE  30           HB       ILE  30 -11.853   1.876  -0.539
  223   1HG1  ILE  30          HG12      ILE  30 -12.947  -0.119  -1.616
  224   2HG1  ILE  30          HG11      ILE  30 -11.617  -0.545  -0.558
  225   1HG2  ILE  30          HG23      ILE  30 -13.030   0.774   2.032
  226   2HG2  ILE  30          HG22      ILE  30 -11.327   0.687   1.606
  227   3HG2  ILE  30          HG21      ILE  30 -12.096   2.252   1.845
  228   1HD1  ILE  30           HD1      ILE  30 -14.440  -0.495   0.507
  229   2HD1  ILE  30           HD3      ILE  30 -13.836  -1.898  -0.355
  230   3HD1  ILE  30           HD2      ILE  30 -13.047  -1.370   1.125
  231    H    LYS  31           HN       LYS  31 -13.890   3.716   1.638
  232    HA   LYS  31           HA       LYS  31 -13.880   6.022  -0.232
  233   1HB   LYS  31           HB2      LYS  31 -13.813   6.640   2.625
  234   2HB   LYS  31           HB1      LYS  31 -14.967   7.149   1.398
  235   1HG   LYS  31           HG2      LYS  31 -15.979   4.832   1.509
  236   2HG   LYS  31           HG1      LYS  31 -14.932   4.505   2.884
  237   1HD   LYS  31           HD2      LYS  31 -16.631   5.366   4.131
  238   2HD   LYS  31           HD1      LYS  31 -16.037   6.929   3.582
  239   1HE   LYS  31           HE2      LYS  31 -18.353   6.945   3.035
  240   2HE   LYS  31           HE1      LYS  31 -17.542   6.583   1.516
  241   1HZ   LYS  31           HZ1      LYS  31 -18.440   4.408   3.287
  242   2HZ   LYS  31           HZ3      LYS  31 -19.529   5.160   2.222
  243   3HZ   LYS  31           HZ2      LYS  31 -18.151   4.376   1.614
  244    H    GLY  32           HN       GLY  32 -12.249   7.570  -0.237
  245   1HA   GLY  32           HA2      GLY  32  -9.629   6.581   0.665
  246   2HA   GLY  32           HA1      GLY  32  -9.905   8.000  -0.342
  247    H    THR  33           HN       THR  33  -9.477   6.819   2.855
  248    HA   THR  33           HA       THR  33 -10.083   9.490   4.027
  249    HB   THR  33           HB       THR  33 -10.121   8.363   6.184
  250    HG1  THR  33           HG1      THR  33  -8.570   6.644   4.649
  251   1HG2  THR  33          HG21      THR  33 -11.959   7.695   4.364
  252   2HG2  THR  33          HG23      THR  33 -11.124   6.145   4.412
  253   3HG2  THR  33          HG22      THR  33 -11.853   6.799   5.875
  254    H    GLY  34           HN       GLY  34  -7.722   8.932   2.356
  255   1HA   GLY  34           HA2      GLY  34  -5.372   8.614   3.937
  256   2HA   GLY  34           HA1      GLY  34  -5.428   9.427   2.375
  257    H    VAL  35           HN       VAL  35  -3.708  10.589   3.883
  258    HA   VAL  35           HA       VAL  35  -4.666  12.457   5.840
  259    HB   VAL  35           HB       VAL  35  -2.195  12.615   4.093
  260   1HG1  VAL  35          HG11      VAL  35  -3.143  14.100   6.544
  261   2HG1  VAL  35          HG13      VAL  35  -1.423  13.922   6.213
  262   3HG1  VAL  35          HG12      VAL  35  -2.460  14.755   5.060
  263   1HG2  VAL  35          HG22      VAL  35  -2.624  11.472   6.876
  264   2HG2  VAL  35          HG21      VAL  35  -2.341  10.525   5.419
  265   3HG2  VAL  35          HG23      VAL  35  -1.077  11.579   6.043
  266    H    GLY  36           HN       GLY  36  -5.152  12.336   2.543
  267   1HA   GLY  36           HA2      GLY  36  -6.051  15.169   2.541
  268   2HA   GLY  36           HA1      GLY  36  -4.962  14.648   1.258
  269    H    GLY  37           HN       GLY  37  -7.302  12.455   2.583
  270   1HA   GLY  37           HA2      GLY  37  -9.351  11.664   1.710
  271   2HA   GLY  37           HA1      GLY  37  -9.347  13.015   0.582
  272    NH1  ARG  38           NH2      ARG  38  -1.105  12.610  -0.747
  273    NH2  ARG  38           NH1      ARG  38  -0.432  10.561  -1.501
  274    H    ARG  38           HN       ARG  38  -6.523  11.052   0.766
  275    HA   ARG  38           HA       ARG  38  -7.107  10.023  -1.965
  276   1HB   ARG  38           HB2      ARG  38  -4.534  10.201  -0.381
  277   2HB   ARG  38           HB1      ARG  38  -4.655   9.502  -1.991
  278   1HG   ARG  38           HG2      ARG  38  -5.093  11.555  -3.000
  279   2HG   ARG  38           HG1      ARG  38  -5.774  12.247  -1.532
  280   1HD   ARG  38           HD2      ARG  38  -3.364  12.982  -2.315
  281   2HD   ARG  38           HD1      ARG  38  -3.665  12.686  -0.604
  282    HE   ARG  38           HE       ARG  38  -2.845  10.236  -1.822
  283   1HH1  ARG  38          HH21      ARG  38  -1.845  13.263  -0.588
  284   2HH1  ARG  38          HH22      ARG  38  -0.166  12.850  -0.501
  285   1HH2  ARG  38          HH11      ARG  38  -0.668   9.678  -1.907
  286   2HH2  ARG  38          HH12      ARG  38   0.519  10.765  -1.267
  287    H    LEU  39           HN       LEU  39  -6.478   7.798  -2.474
  288    HA   LEU  39           HA       LEU  39  -7.307   5.972  -0.302
  289   1HB   LEU  39           HB2      LEU  39  -8.228   5.850  -2.670
  290   2HB   LEU  39           HB1      LEU  39  -6.645   5.264  -3.168
  291    HG   LEU  39           HG       LEU  39  -7.048   3.588  -1.106
  292   1HD1  LEU  39          HD12      LEU  39  -9.239   4.602  -0.530
  293   2HD1  LEU  39          HD11      LEU  39  -9.833   4.224  -2.144
  294   3HD1  LEU  39          HD13      LEU  39  -9.427   2.925  -1.027
  295   1HD2  LEU  39          HD23      LEU  39  -8.088   3.405  -3.944
  296   2HD2  LEU  39          HD22      LEU  39  -6.588   2.746  -3.296
  297   3HD2  LEU  39          HD21      LEU  39  -8.133   2.031  -2.844
  298    H    THR  40           HN       THR  40  -5.647   5.516   1.050
  299    HA   THR  40           HA       THR  40  -2.962   4.966  -0.092
  300    HB   THR  40           HB       THR  40  -2.146   5.159   2.210
  301    HG1  THR  40           HG1      THR  40  -3.680   5.138   3.861
  302   1HG2  THR  40          HG22      THR  40  -3.097   7.316   1.037
  303   2HG2  THR  40          HG21      THR  40  -4.447   7.119   2.148
  304   3HG2  THR  40          HG23      THR  40  -2.820   7.368   2.775
  305    NH1  ARG  41           NH2      ARG  41  -0.745  -2.131   4.436
  306    NH2  ARG  41           NH1      ARG  41   0.242  -3.693   3.092
  307    H    ARG  41           HN       ARG  41  -1.957   3.196   1.745
  308    HA   ARG  41           HA       ARG  41  -3.342   0.713   0.929
  309   1HB   ARG  41           HB2      ARG  41  -0.755   1.226   0.868
  310   2HB   ARG  41           HB1      ARG  41  -0.828   0.745   2.559
  311   1HG   ARG  41           HG2      ARG  41  -1.989  -1.370   1.846
  312   2HG   ARG  41           HG1      ARG  41  -1.727  -0.899   0.171
  313   1HD   ARG  41           HD2      ARG  41   0.092  -2.368   0.784
  314   2HD   ARG  41           HD1      ARG  41   0.754  -0.736   0.717
  315    HE   ARG  41           HE       ARG  41   1.128  -0.862   3.044
  316   1HH1  ARG  41          HH21      ARG  41  -0.919  -1.169   4.646
  317   2HH1  ARG  41          HH22      ARG  41  -1.135  -2.847   5.015
  318   1HH2  ARG  41          HH11      ARG  41   0.809  -3.901   2.294
  319   2HH2  ARG  41          HH12      ARG  41  -0.131  -4.436   3.647
  320    H    GLU  42           HN       GLU  42  -3.819   2.768   3.335
  321    HA   GLU  42           HA       GLU  42  -4.002   0.741   5.504
  322   1HB   GLU  42           HB2      GLU  42  -3.700   3.652   5.379
  323   2HB   GLU  42           HB1      GLU  42  -4.912   3.136   6.546
  324   1HG   GLU  42           HG2      GLU  42  -2.630   3.241   7.552
  325   2HG   GLU  42           HG1      GLU  42  -3.291   1.609   7.592
  326    H    ASP  43           HN       ASP  43  -5.897   2.094   3.088
  327    HA   ASP  43           HA       ASP  43  -8.422   1.840   4.629
  328   1HB   ASP  43           HB2      ASP  43  -8.186   2.597   1.719
  329   2HB   ASP  43           HB1      ASP  43  -9.476   2.996   2.851
  330    H    VAL  44           HN       VAL  44  -6.914   0.554   1.681
  331    HA   VAL  44           HA       VAL  44  -9.011  -1.381   1.204
  332    HB   VAL  44           HB       VAL  44  -6.146  -1.445   0.223
  333   1HG1  VAL  44          HG12      VAL  44  -7.447  -3.535  -0.104
  334   2HG1  VAL  44          HG11      VAL  44  -8.724  -2.611  -0.888
  335   3HG1  VAL  44          HG13      VAL  44  -7.137  -2.733  -1.640
  336   1HG2  VAL  44          HG23      VAL  44  -8.406   0.332  -0.378
  337   2HG2  VAL  44          HG22      VAL  44  -6.706   0.508  -0.801
  338   3HG2  VAL  44          HG21      VAL  44  -7.768  -0.472  -1.809
  339    H    GLU  45           HN       GLU  45  -5.828  -1.529   2.741
  340    HA   GLU  45           HA       GLU  45  -5.678  -4.310   3.192
  341   1HB   GLU  45           HB2      GLU  45  -3.912  -2.542   3.698
  342   2HB   GLU  45           HB1      GLU  45  -4.785  -2.230   5.193
  343   1HG   GLU  45           HG2      GLU  45  -3.197  -3.847   5.849
  344   2HG   GLU  45           HG1      GLU  45  -4.633  -4.819   5.540
  345    H    LYS  46           HN       LYS  46  -6.996  -1.821   5.372
  346    HA   LYS  46           HA       LYS  46  -7.942  -3.574   7.383
  347   1HB   LYS  46           HB2      LYS  46  -8.938  -0.885   6.434
  348   2HB   LYS  46           HB1      LYS  46  -9.643  -1.712   7.818
  349   1HG   LYS  46           HG2      LYS  46  -6.680  -1.574   7.810
  350   2HG   LYS  46           HG1      LYS  46  -7.496  -0.026   7.990
  351   1HD   LYS  46           HD2      LYS  46  -8.342  -2.414   9.635
  352   2HD   LYS  46           HD1      LYS  46  -6.991  -1.407  10.143
  353   1HE   LYS  46           HE2      LYS  46  -9.423   0.075   9.318
  354   2HE   LYS  46           HE1      LYS  46  -9.591  -0.882  10.785
  355   1HZ   LYS  46           HZ2      LYS  46  -7.158   0.671  10.600
  356   2HZ   LYS  46           HZ1      LYS  46  -8.586   1.584  10.710
  357   3HZ   LYS  46           HZ3      LYS  46  -8.212   0.445  11.913
  358    H    HIS  47           HN       HIS  47  -9.114  -2.985   4.203
  359    HA   HIS  47           HA       HIS  47 -11.780  -4.111   4.767
  360   1HB   HIS  47           HB2      HIS  47 -11.359  -2.252   3.087
  361   2HB   HIS  47           HB1      HIS  47 -10.586  -3.461   2.065
  362    HD1  HIS  47           HD1      HIS  47 -13.886  -2.608   3.424
  363    HD2  HIS  47           HD2      HIS  47 -12.308  -5.292   0.822
  364    HE1  HIS  47           HE1      HIS  47 -15.803  -3.621   2.334
  365    H    LEU  48           HN       LEU  48  -8.683  -5.221   3.864
  366    HA   LEU  48           HA       LEU  48  -9.715  -7.672   2.580
  367   1HB   LEU  48           HB2      LEU  48  -7.035  -6.413   2.949
  368   2HB   LEU  48           HB1      LEU  48  -7.086  -8.157   2.738
  369    HG   LEU  48           HG       LEU  48  -8.508  -6.220   0.877
  370   1HD1  LEU  48          HD11      LEU  48  -6.022  -5.865   0.903
  371   2HD1  LEU  48          HD13      LEU  48  -5.811  -7.561   0.484
  372   3HD1  LEU  48          HD12      LEU  48  -6.613  -6.470  -0.642
  373   1HD2  LEU  48          HD23      LEU  48  -8.516  -9.079   1.178
  374   2HD2  LEU  48          HD22      LEU  48  -9.334  -8.115  -0.045
  375   3HD2  LEU  48          HD21      LEU  48  -7.697  -8.691  -0.329
  376    H    ALA  49           HN       ALA  49  -9.744  -6.750   5.610
  377    HA   ALA  49           HA       ALA  49  -8.287  -8.751   7.053
  378   1HB   ALA  49           HB2      ALA  49 -10.671  -7.033   7.715
  379   2HB   ALA  49           HB1      ALA  49 -10.074  -8.235   8.855
  380   3HB   ALA  49           HB3      ALA  49  -9.029  -6.916   8.337
  381    H    LYS  50           HN       LYS  50  -8.618 -10.770   6.116
  382    HA   LYS  50           HA       LYS  50 -11.328 -11.816   5.756
  383   1HB   LYS  50           HB2      LYS  50  -8.592 -13.085   5.526
  384   2HB   LYS  50           HB1      LYS  50 -10.092 -13.948   5.204
  385   1HG   LYS  50           HG2      LYS  50 -10.681 -12.188   3.515
  386   2HG   LYS  50           HG1      LYS  50  -9.101 -11.458   3.776
  387   1HD   LYS  50           HD2      LYS  50  -8.030 -13.618   3.126
  388   2HD   LYS  50           HD1      LYS  50  -9.625 -14.284   2.794
  389   1HE   LYS  50           HE2      LYS  50  -9.160 -13.521   0.674
  390   2HE   LYS  50           HE1      LYS  50  -9.792 -12.018   1.334
  391   1HZ   LYS  50           HZ2      LYS  50  -7.411 -11.556   2.015
  392   2HZ   LYS  50           HZ1      LYS  50  -6.975 -12.816   0.964
  393   3HZ   LYS  50           HZ3      LYS  50  -7.777 -11.447   0.361
  394    H    ALA  51           HN       ALA  51  -9.504 -14.316   6.879
  395    HA   ALA  51           HA       ALA  51 -11.020 -14.371   9.418
  396   1HB   ALA  51           HB2      ALA  51 -10.765 -16.352   7.775
  397   2HB   ALA  51           HB1      ALA  51  -9.144 -16.519   8.442
  398   3HB   ALA  51           HB3      ALA  51 -10.549 -16.684   9.490
   
 Raw file had 398 H/Q atoms
  Start of MODEL    8
    1    OH   TYR   1           OH       TYR   1  24.734  -4.020  -0.811
    2   1H    TYR   1           HT2      TYR   1  20.381 -11.054  -2.415
    3   2H    TYR   1           HT1      TYR   1  21.395 -11.385  -1.095
    4   3H    TYR   1           HT3      TYR   1  19.995 -10.450  -0.876
    5    HA   TYR   1           HA       TYR   1  20.937  -8.576  -1.621
    6   1HB   TYR   1           HB2      TYR   1  22.565  -9.691   0.061
    7   2HB   TYR   1           HB1      TYR   1  23.570 -10.017  -1.349
    8    HD1  TYR   1           HD2      TYR   1  21.754  -7.223   0.352
    9    HD2  TYR   1           HD1      TYR   1  25.003  -8.333  -2.159
   10    HE1  TYR   1           HE2      TYR   1  22.585  -4.917   0.408
   11    HE2  TYR   1           HE1      TYR   1  25.835  -6.026  -2.102
   12    HH   TYR   1           HH       TYR   1  24.308  -3.569  -0.078
   13    H    ALA   2           HN       ALA   2  21.244  -7.592  -3.519
   14    HA   ALA   2           HA       ALA   2  22.966  -8.819  -5.575
   15   1HB   ALA   2           HB2      ALA   2  19.996  -8.381  -5.970
   16   2HB   ALA   2           HB1      ALA   2  21.125  -8.651  -7.294
   17   3HB   ALA   2           HB3      ALA   2  20.871  -9.905  -6.084
   18    H    SER   3           HN       SER   3  20.789  -6.871  -7.094
   19    HA   SER   3           HA       SER   3  22.665  -4.737  -7.489
   20   1HB   SER   3           HB2      SER   3  20.484  -5.521  -8.854
   21   2HB   SER   3           HB1      SER   3  19.770  -4.182  -7.934
   22    HG   SER   3           HG1      SER   3  20.748  -3.301  -9.732
   23    H    LEU   4           HN       LEU   4  22.686  -2.631  -6.680
   24    HA   LEU   4           HA       LEU   4  22.128  -2.256  -3.950
   25   1HB   LEU   4           HB2      LEU   4  23.484  -0.807  -5.728
   26   2HB   LEU   4           HB1      LEU   4  21.982   0.100  -5.793
   27    HG   LEU   4           HG       LEU   4  23.401   1.128  -4.115
   28   1HD1  LEU   4          HD11      LEU   4  20.922   0.830  -3.640
   29   2HD1  LEU   4          HD13      LEU   4  21.345  -0.534  -2.616
   30   3HD1  LEU   4          HD12      LEU   4  21.923   1.077  -2.215
   31   1HD2  LEU   4          HD21      LEU   4  24.316  -1.506  -3.675
   32   2HD2  LEU   4          HD23      LEU   4  24.842  -0.053  -2.836
   33   3HD2  LEU   4          HD22      LEU   4  23.543  -1.030  -2.169
   34    H    GLU   5           HN       GLU   5  20.312  -0.783  -6.639
   35    HA   GLU   5           HA       GLU   5  18.168   0.277  -5.234
   36   1HB   GLU   5           HB2      GLU   5  18.157  -1.142  -7.905
   37   2HB   GLU   5           HB1      GLU   5  16.786  -0.229  -7.290
   38   1HG   GLU   5           HG2      GLU   5  18.189   1.795  -7.129
   39   2HG   GLU   5           HG1      GLU   5  19.581   0.886  -7.707
   40    H    GLU   6           HN       GLU   6  17.222  -0.751  -3.557
   41    HA   GLU   6           HA       GLU   6  15.458  -2.984  -4.083
   42   1HB   GLU   6           HB2      GLU   6  17.840  -3.994  -3.871
   43   2HB   GLU   6           HB1      GLU   6  17.678  -3.636  -2.157
   44   1HG   GLU   6           HG2      GLU   6  15.365  -4.848  -2.378
   45   2HG   GLU   6           HG1      GLU   6  16.053  -5.526  -3.851
   46    H    GLN   7           HN       GLN   7  17.339  -1.547  -1.421
   47    HA   GLN   7           HA       GLN   7  14.939  -1.625   0.303
   48   1HB   GLN   7           HB2      GLN   7  17.696  -0.557   0.948
   49   2HB   GLN   7           HB1      GLN   7  16.427  -0.977   2.094
   50   1HG   GLN   7           HG2      GLN   7  17.279  -3.072   2.156
   51   2HG   GLN   7           HG1      GLN   7  16.771  -3.268   0.480
   52   1HE2  GLN   7          HE22      GLN   7  20.119  -2.079  -0.653
   53   2HE2  GLN   7          HE21      GLN   7  18.517  -1.565  -0.874
   54    H    ASN   8           HN       ASN   8  15.902   0.755   1.789
   55    HA   ASN   8           HA       ASN   8  15.386   3.047   1.851
   56   1HB   ASN   8           HB2      ASN   8  17.181   2.836  -0.052
   57   2HB   ASN   8           HB1      ASN   8  15.819   3.170  -1.117
   58   1HD2  ASN   8          HD22      ASN   8  17.477   6.370   0.129
   59   2HD2  ASN   8          HD21      ASN   8  18.136   4.945  -0.515
   60    H    ASN   9           HN       ASN   9  13.216   3.057   2.300
   61    HA   ASN   9           HA       ASN   9  11.429   3.947   0.206
   62   1HB   ASN   9           HB2      ASN   9  11.697   1.262   0.146
   63   2HB   ASN   9           HB1      ASN   9  10.421   1.399   1.352
   64   1HD2  ASN   9          HD22      ASN   9   7.970   2.043  -1.069
   65   2HD2  ASN   9          HD21      ASN   9   8.357   1.501   0.493
   66    H    ASP  10           HN       ASP  10   9.669   4.970   1.070
   67    HA   ASP  10           HA       ASP  10   9.612   5.231   3.996
   68   1HB   ASP  10           HB2      ASP  10   9.301   7.135   2.281
   69   2HB   ASP  10           HB1      ASP  10   7.668   6.509   2.079
   70    H    ALA  11           HN       ALA  11   6.573   5.831   3.438
   71    HA   ALA  11           HA       ALA  11   5.708   3.152   4.334
   72   1HB   ALA  11           HB3      ALA  11   4.931   5.204   5.517
   73   2HB   ALA  11           HB2      ALA  11   4.094   5.700   4.050
   74   3HB   ALA  11           HB1      ALA  11   3.598   4.236   4.896
   75    H    LEU  12           HN       LEU  12   6.452   2.781   1.844
   76    HA   LEU  12           HA       LEU  12   3.875   2.537   0.355
   77   1HB   LEU  12           HB2      LEU  12   6.480   3.684  -0.643
   78   2HB   LEU  12           HB1      LEU  12   5.314   2.977  -1.755
   79    HG   LEU  12           HG       LEU  12   4.263   4.932   0.244
   80   1HD1  LEU  12          HD11      LEU  12   5.955   5.672  -2.167
   81   2HD1  LEU  12          HD13      LEU  12   4.898   6.805  -1.329
   82   3HD1  LEU  12          HD12      LEU  12   6.272   6.094  -0.487
   83   1HD2  LEU  12          HD21      LEU  12   3.053   3.605  -1.685
   84   2HD2  LEU  12          HD23      LEU  12   2.639   5.292  -1.408
   85   3HD2  LEU  12          HD22      LEU  12   3.732   4.857  -2.717
   86    H    SER  13           HN       SER  13   3.622   0.596  -0.690
   87    HA   SER  13           HA       SER  13   5.803  -1.373  -0.289
   88   1HB   SER  13           HB2      SER  13   3.394  -2.612  -1.236
   89   2HB   SER  13           HB1      SER  13   4.123  -2.740   0.377
   90    HG   SER  13           HG1      SER  13   2.352  -0.767  -0.618
   91    HA   PRO  14           HA       PRO  14   6.655  -1.509  -4.656
   92   1HB   PRO  14           HB2      PRO  14   7.072  -4.312  -4.866
   93   2HB   PRO  14           HB1      PRO  14   8.303  -3.066  -4.649
   94   1HG   PRO  14           HG2      PRO  14   7.287  -4.995  -2.682
   95   2HG   PRO  14           HG1      PRO  14   8.681  -3.920  -2.547
   96   1HD   PRO  14           HD1      PRO  14   6.175  -3.624  -1.217
   97   2HD   PRO  14           HD2      PRO  14   7.503  -2.449  -1.271
   98    H    ALA  15           HN       ALA  15   4.767  -4.295  -3.506
   99    HA   ALA  15           HA       ALA  15   3.405  -4.713  -6.012
  100   1HB   ALA  15           HB3      ALA  15   3.116  -5.724  -3.220
  101   2HB   ALA  15           HB2      ALA  15   1.765  -5.951  -4.325
  102   3HB   ALA  15           HB1      ALA  15   3.344  -6.621  -4.717
  103    H    ILE  16           HN       ILE  16   3.072  -2.270  -3.740
  104    HA   ILE  16           HA       ILE  16   0.345  -1.832  -3.405
  105    HB   ILE  16           HB       ILE  16   2.171  -0.319  -2.580
  106   1HG1  ILE  16          HG12      ILE  16  -0.047   1.052  -4.149
  107   2HG1  ILE  16          HG11      ILE  16  -0.253   0.318  -2.563
  108   1HG2  ILE  16          HG21      ILE  16   3.143  -0.251  -5.026
  109   2HG2  ILE  16          HG23      ILE  16   2.007   1.074  -5.246
  110   3HG2  ILE  16          HG22      ILE  16   3.261   1.185  -4.016
  111   1HD1  ILE  16           HD2      ILE  16   1.506   1.848  -1.663
  112   2HD1  ILE  16           HD1      ILE  16   1.602   2.624  -3.241
  113   3HD1  ILE  16           HD3      ILE  16   0.118   2.724  -2.302
  114    NH1  ARG  17           NH2      ARG  17   5.865   0.749 -10.839
  115    NH2  ARG  17           NH1      ARG  17   6.542  -1.248  -9.957
  116    H    ARG  17           HN       ARG  17   2.166  -1.725  -6.339
  117    HA   ARG  17           HA       ARG  17   0.021  -0.358  -7.828
  118   1HB   ARG  17           HB2      ARG  17   2.598  -1.641  -8.774
  119   2HB   ARG  17           HB1      ARG  17   1.509  -0.693  -9.780
  120   1HG   ARG  17           HG2      ARG  17   1.826   1.251  -8.260
  121   2HG   ARG  17           HG1      ARG  17   2.952   0.300  -7.299
  122   1HD   ARG  17           HD2      ARG  17   3.338   0.748 -10.272
  123   2HD   ARG  17           HD1      ARG  17   4.017   1.830  -9.057
  124    HE   ARG  17           HE       ARG  17   4.868  -0.671  -8.237
  125   1HH1  ARG  17          HH21      ARG  17   5.242   1.531 -10.808
  126   2HH1  ARG  17          HH22      ARG  17   6.573   0.700 -11.542
  127   1HH2  ARG  17          HH11      ARG  17   6.427  -1.961  -9.267
  128   2HH2  ARG  17          HH12      ARG  17   7.261  -1.330 -10.647
  129    NH1  ARG  18           NH2      ARG  18   5.102  -7.074 -11.818
  130    NH2  ARG  18           NH1      ARG  18   5.796  -4.907 -11.620
  131    H    ARG  18           HN       ARG  18   1.437  -3.587  -7.582
  132    HA   ARG  18           HA       ARG  18  -0.666  -4.650  -9.388
  133   1HB   ARG  18           HB2      ARG  18   1.584  -6.186  -8.077
  134   2HB   ARG  18           HB1      ARG  18   0.636  -6.660  -9.482
  135   1HG   ARG  18           HG2      ARG  18   1.570  -4.280 -10.366
  136   2HG   ARG  18           HG1      ARG  18   2.885  -4.717  -9.281
  137   1HD   ARG  18           HD2      ARG  18   3.060  -6.930 -10.417
  138   2HD   ARG  18           HD1      ARG  18   1.786  -6.438 -11.532
  139    HE   ARG  18           HE       ARG  18   3.341  -4.649 -12.335
  140   1HH1  ARG  18          HH21      ARG  18   4.350  -7.729 -11.904
  141   2HH1  ARG  18          HH22      ARG  18   6.047  -7.400 -11.799
  142   1HH2  ARG  18          HH11      ARG  18   5.564  -3.935 -11.557
  143   2HH2  ARG  18          HH12      ARG  18   6.753  -5.195 -11.597
  144    H    LEU  19           HN       LEU  19  -1.204  -3.663  -6.643
  145    HA   LEU  19           HA       LEU  19  -1.920  -6.166  -5.217
  146   1HB   LEU  19           HB2      LEU  19  -0.858  -4.166  -4.046
  147   2HB   LEU  19           HB1      LEU  19  -2.385  -3.326  -4.288
  148    HG   LEU  19           HG       LEU  19  -3.313  -5.652  -3.251
  149   1HD1  LEU  19          HD12      LEU  19  -0.944  -6.477  -2.995
  150   2HD1  LEU  19          HD11      LEU  19  -0.660  -5.163  -1.858
  151   3HD1  LEU  19          HD13      LEU  19  -1.834  -6.420  -1.478
  152   1HD2  LEU  19          HD22      LEU  19  -2.231  -3.280  -1.690
  153   2HD2  LEU  19          HD21      LEU  19  -3.828  -3.389  -2.423
  154   3HD2  LEU  19          HD23      LEU  19  -3.402  -4.441  -1.076
  155    H    LEU  20           HN       LEU  20  -3.349  -3.522  -6.974
  156    HA   LEU  20           HA       LEU  20  -6.083  -4.196  -6.153
  157   1HB   LEU  20           HB2      LEU  20  -4.801  -2.158  -7.913
  158   2HB   LEU  20           HB1      LEU  20  -6.490  -2.550  -8.216
  159    HG   LEU  20           HG       LEU  20  -5.585  -2.023  -5.396
  160   1HD1  LEU  20          HD11      LEU  20  -6.251   0.065  -7.499
  161   2HD1  LEU  20          HD13      LEU  20  -6.160   0.390  -5.772
  162   3HD1  LEU  20          HD12      LEU  20  -4.718  -0.111  -6.651
  163   1HD2  LEU  20          HD23      LEU  20  -7.958  -2.808  -6.402
  164   2HD2  LEU  20          HD22      LEU  20  -7.846  -1.749  -4.998
  165   3HD2  LEU  20          HD21      LEU  20  -8.150  -1.067  -6.593
  166    H    ALA  21           HN       ALA  21  -4.014  -4.678  -8.966
  167    HA   ALA  21           HA       ALA  21  -6.134  -5.953 -10.522
  168   1HB   ALA  21           HB2      ALA  21  -3.663  -4.831 -11.114
  169   2HB   ALA  21           HB1      ALA  21  -3.403  -6.555 -11.362
  170   3HB   ALA  21           HB3      ALA  21  -4.683  -5.724 -12.238
  171    H    GLU  22           HN       GLU  22  -4.504  -6.932  -7.867
  172    HA   GLU  22           HA       GLU  22  -4.198  -9.758  -8.749
  173   1HB   GLU  22           HB2      GLU  22  -2.377  -8.594  -7.438
  174   2HB   GLU  22           HB1      GLU  22  -3.483  -8.552  -6.069
  175   1HG   GLU  22           HG2      GLU  22  -3.666 -11.005  -6.113
  176   2HG   GLU  22           HG1      GLU  22  -2.626 -11.074  -7.533
  177    H    HIS  23           HN       HIS  23  -6.292  -7.692  -6.990
  178    HA   HIS  23           HA       HIS  23  -7.902 -10.068  -6.148
  179   1HB   HIS  23           HB2      HIS  23  -7.855  -7.592  -4.458
  180   2HB   HIS  23           HB1      HIS  23  -8.224  -9.250  -3.990
  181    HD1  HIS  23           HD1      HIS  23  -5.872 -10.744  -4.628
  182    HD2  HIS  23           HD2      HIS  23  -5.446  -6.898  -3.405
  183    HE1  HIS  23           HE1      HIS  23  -3.591 -10.598  -3.810
  184    H    ASN  24           HN       ASN  24  -7.757  -7.197  -7.844
  185    HA   ASN  24           HA       ASN  24  -9.400  -5.685  -8.638
  186   1HB   ASN  24           HB2      ASN  24 -11.287  -6.921  -9.732
  187   2HB   ASN  24           HB1      ASN  24  -9.702  -7.586 -10.118
  188   1HD2  ASN  24          HD22      ASN  24 -10.354 -10.701  -8.608
  189   2HD2  ASN  24          HD21      ASN  24  -9.253  -9.731  -9.462
  190    H    LEU  25           HN       LEU  25  -9.592  -5.047  -6.220
  191    HA   LEU  25           HA       LEU  25 -12.225  -5.782  -5.077
  192   1HB   LEU  25           HB2      LEU  25  -9.751  -4.457  -4.054
  193   2HB   LEU  25           HB1      LEU  25 -11.276  -4.082  -3.262
  194    HG   LEU  25           HG       LEU  25 -10.640  -6.960  -3.823
  195   1HD1  LEU  25          HD11      LEU  25  -9.498  -5.342  -1.517
  196   2HD1  LEU  25          HD13      LEU  25  -9.411  -7.093  -1.671
  197   3HD1  LEU  25          HD12      LEU  25  -8.563  -6.065  -2.822
  198   1HD2  LEU  25          HD23      LEU  25 -12.827  -6.247  -2.864
  199   2HD2  LEU  25          HD22      LEU  25 -11.920  -7.245  -1.733
  200   3HD2  LEU  25          HD21      LEU  25 -11.976  -5.499  -1.517
  201    H    ASP  26           HN       ASP  26 -13.912  -4.367  -4.858
  202    HA   ASP  26           HA       ASP  26 -13.815  -1.965  -6.558
  203   1HB   ASP  26           HB2      ASP  26 -15.831  -3.790  -5.704
  204   2HB   ASP  26           HB1      ASP  26 -16.290  -2.185  -5.139
  205    H    ALA  27           HN       ALA  27 -12.863  -0.239  -5.634
  206    HA   ALA  27           HA       ALA  27 -12.896   0.255  -2.782
  207   1HB   ALA  27           HB1      ALA  27 -11.999   1.800  -5.196
  208   2HB   ALA  27           HB3      ALA  27 -12.078   2.596  -3.628
  209   3HB   ALA  27           HB2      ALA  27 -11.039   1.192  -3.851
  210    H    SER  28           HN       SER  28 -15.263   0.577  -5.076
  211    HA   SER  28           HA       SER  28 -16.496   3.051  -4.649
  212   1HB   SER  28           HB2      SER  28 -17.559   1.679  -6.249
  213   2HB   SER  28           HB1      SER  28 -17.644   0.299  -5.138
  214    HG   SER  28           HG1      SER  28 -19.015   1.583  -3.811
  215    H    ALA  29           HN       ALA  29 -16.394   0.259  -2.537
  216    HA   ALA  29           HA       ALA  29 -18.236   1.580  -0.621
  217   1HB   ALA  29           HB2      ALA  29 -17.355  -1.170  -1.141
  218   2HB   ALA  29           HB1      ALA  29 -17.391  -0.762   0.572
  219   3HB   ALA  29           HB3      ALA  29 -18.846  -0.590  -0.406
  220    H    ILE  30           HN       ILE  30 -14.895   1.121  -1.199
  221    HA   ILE  30           HA       ILE  30 -14.184   1.684   1.624
  222    HB   ILE  30           HB       ILE  30 -12.333   1.259  -0.737
  223   1HG1  ILE  30          HG12      ILE  30 -13.725  -0.715  -0.552
  224   2HG1  ILE  30          HG11      ILE  30 -12.162  -1.104   0.145
  225   1HG2  ILE  30          HG23      ILE  30 -11.941   1.856   2.090
  226   2HG2  ILE  30          HG22      ILE  30 -11.166   0.341   1.651
  227   3HG2  ILE  30          HG21      ILE  30 -10.761   1.817   0.787
  228   1HD1  ILE  30           HD3      ILE  30 -13.269  -0.328   2.404
  229   2HD1  ILE  30           HD2      ILE  30 -14.783  -0.587   1.544
  230   3HD1  ILE  30           HD1      ILE  30 -13.657  -1.923   1.769
  231    H    LYS  31           HN       LYS  31 -13.449   3.618   2.313
  232    HA   LYS  31           HA       LYS  31 -13.789   5.938   0.610
  233   1HB   LYS  31           HB2      LYS  31 -12.784   7.139   2.620
  234   2HB   LYS  31           HB1      LYS  31 -14.245   6.213   2.942
  235   1HG   LYS  31           HG2      LYS  31 -13.130   4.627   4.179
  236   2HG   LYS  31           HG1      LYS  31 -11.678   4.729   3.190
  237   1HD   LYS  31           HD2      LYS  31 -11.101   6.889   4.234
  238   2HD   LYS  31           HD1      LYS  31 -12.568   6.819   5.206
  239   1HE   LYS  31           HE2      LYS  31 -11.244   4.335   5.567
  240   2HE   LYS  31           HE1      LYS  31 -10.013   5.582   5.716
  241   1HZ   LYS  31           HZ3      LYS  31 -11.590   6.735   7.263
  242   2HZ   LYS  31           HZ2      LYS  31 -12.522   5.315   7.260
  243   3HZ   LYS  31           HZ1      LYS  31 -10.926   5.283   7.841
  244    H    GLY  32           HN       GLY  32 -11.669   7.580   1.273
  245   1HA   GLY  32           HA2      GLY  32  -9.175   6.217   0.501
  246   2HA   GLY  32           HA1      GLY  32  -9.810   7.352  -0.687
  247    H    THR  33           HN       THR  33  -7.825   7.025   1.977
  248    HA   THR  33           HA       THR  33  -8.133   9.835   2.865
  249    HB   THR  33           HB       THR  33  -6.175   9.032   4.456
  250    HG1  THR  33           HG1      THR  33  -6.339   7.090   2.788
  251   1HG2  THR  33          HG21      THR  33  -8.652   9.240   5.111
  252   2HG2  THR  33          HG23      THR  33  -8.824   7.554   4.635
  253   3HG2  THR  33          HG22      THR  33  -7.758   7.988   5.968
  254    H    GLY  34           HN       GLY  34  -5.312   7.807   2.084
  255   1HA   GLY  34           HA2      GLY  34  -3.247   8.439   1.137
  256   2HA   GLY  34           HA1      GLY  34  -4.270   9.205  -0.073
  257    H    VAL  35           HN       VAL  35  -2.276  10.654  -0.033
  258    HA   VAL  35           HA       VAL  35  -1.931  12.447   2.218
  259    HB   VAL  35           HB       VAL  35  -1.006  12.566  -0.659
  260   1HG1  VAL  35          HG12      VAL  35  -0.849  14.554   1.565
  261   2HG1  VAL  35          HG11      VAL  35   0.605  14.316   0.600
  262   3HG1  VAL  35          HG13      VAL  35  -0.892  14.823  -0.175
  263   1HG2  VAL  35          HG21      VAL  35  -0.020  10.816   0.827
  264   2HG2  VAL  35          HG23      VAL  35   1.169  12.023   0.347
  265   3HG2  VAL  35          HG22      VAL  35   0.460  12.077   1.957
  266    H    GLY  36           HN       GLY  36  -3.954  12.407  -0.604
  267   1HA   GLY  36           HA2      GLY  36  -5.300  14.851   0.388
  268   2HA   GLY  36           HA1      GLY  36  -4.688  14.896  -1.263
  269    H    GLY  37           HN       GLY  37  -6.248  12.276   0.557
  270   1HA   GLY  37           HA2      GLY  37  -8.376  11.288   0.201
  271   2HA   GLY  37           HA1      GLY  37  -8.699  12.503  -1.033
  272    NH1  ARG  38           NH2      ARG  38  -4.546   6.605  -6.577
  273    NH2  ARG  38           NH1      ARG  38  -2.340   7.177  -6.738
  274    H    ARG  38           HN       ARG  38  -5.774  10.619  -1.072
  275    HA   ARG  38           HA       ARG  38  -6.659   9.401  -3.634
  276   1HB   ARG  38           HB2      ARG  38  -4.467  10.636  -3.469
  277   2HB   ARG  38           HB1      ARG  38  -3.902   9.367  -2.387
  278   1HG   ARG  38           HG2      ARG  38  -3.310   8.181  -4.219
  279   2HG   ARG  38           HG1      ARG  38  -5.023   8.013  -4.587
  280   1HD   ARG  38           HD2      ARG  38  -4.903  10.267  -5.745
  281   2HD   ARG  38           HD1      ARG  38  -3.153  10.205  -5.540
  282    HE   ARG  38           HE       ARG  38  -4.117   9.125  -7.743
  283   1HH1  ARG  38          HH21      ARG  38  -5.506   6.886  -6.569
  284   2HH1  ARG  38          HH22      ARG  38  -4.308   5.639  -6.474
  285   1HH2  ARG  38          HH11      ARG  38  -1.646   7.889  -6.850
  286   2HH2  ARG  38          HH12      ARG  38  -2.065   6.222  -6.637
  287    H    LEU  39           HN       LEU  39  -6.918   7.235  -3.900
  288    HA   LEU  39           HA       LEU  39  -7.138   5.587  -1.512
  289   1HB   LEU  39           HB2      LEU  39  -8.601   5.425  -3.593
  290   2HB   LEU  39           HB1      LEU  39  -7.238   4.636  -4.379
  291    HG   LEU  39           HG       LEU  39  -7.314   3.191  -2.094
  292   1HD1  LEU  39          HD11      LEU  39  -9.324   4.553  -1.347
  293   2HD1  LEU  39          HD13      LEU  39 -10.221   3.832  -2.679
  294   3HD1  LEU  39          HD12      LEU  39  -9.595   2.813  -1.387
  295   1HD2  LEU  39          HD21      LEU  39  -9.020   2.796  -4.577
  296   2HD2  LEU  39          HD23      LEU  39  -7.365   2.240  -4.345
  297   3HD2  LEU  39          HD22      LEU  39  -8.674   1.532  -3.402
  298    H    THR  40           HN       THR  40  -5.668   4.223  -0.684
  299    HA   THR  40           HA       THR  40  -3.417   3.299  -2.380
  300    HB   THR  40           HB       THR  40  -1.703   4.134  -0.896
  301    HG1  THR  40           HG1      THR  40  -3.869   3.981   0.762
  302   1HG2  THR  40          HG22      THR  40  -2.939   5.967  -2.248
  303   2HG2  THR  40          HG21      THR  40  -3.818   6.306  -0.760
  304   3HG2  THR  40          HG23      THR  40  -2.070   6.515  -0.816
  305    NH1  ARG  41           NH2      ARG  41   0.266  -4.203   3.514
  306    NH2  ARG  41           NH1      ARG  41   1.095  -2.540   4.843
  307    H    ARG  41           HN       ARG  41  -1.944   2.330  -0.079
  308    HA   ARG  41           HA       ARG  41  -3.501  -0.115   0.381
  309   1HB   ARG  41           HB2      ARG  41  -1.070  -0.220  -0.080
  310   2HB   ARG  41           HB1      ARG  41  -0.758   0.684   1.397
  311   1HG   ARG  41           HG2      ARG  41  -2.502  -1.638   1.836
  312   2HG   ARG  41           HG1      ARG  41  -0.921  -2.084   1.207
  313   1HD   ARG  41           HD2      ARG  41   0.172  -0.778   2.996
  314   2HD   ARG  41           HD1      ARG  41  -1.406  -0.300   3.619
  315    HE   ARG  41           HE       ARG  41  -1.787  -2.644   4.261
  316   1HH1  ARG  41          HH21      ARG  41  -0.475  -4.552   2.940
  317   2HH1  ARG  41          HH22      ARG  41   1.091  -4.751   3.652
  318   1HH2  ARG  41          HH11      ARG  41   0.975  -1.640   5.264
  319   2HH2  ARG  41          HH12      ARG  41   1.935  -3.059   5.002
  320    H    GLU  42           HN       GLU  42  -3.038   2.856   1.947
  321    HA   GLU  42           HA       GLU  42  -3.474   1.851   4.666
  322   1HB   GLU  42           HB2      GLU  42  -3.539   4.670   3.559
  323   2HB   GLU  42           HB1      GLU  42  -3.578   4.250   5.268
  324   1HG   GLU  42           HG2      GLU  42  -1.365   3.420   5.238
  325   2HG   GLU  42           HG1      GLU  42  -1.364   3.232   3.486
  326    H    ASP  43           HN       ASP  43  -5.438   1.767   2.191
  327    HA   ASP  43           HA       ASP  43  -7.850   2.481   3.814
  328   1HB   ASP  43           HB2      ASP  43  -7.376   2.977   0.865
  329   2HB   ASP  43           HB1      ASP  43  -8.951   3.122   1.642
  330    H    VAL  44           HN       VAL  44  -6.683   0.647   1.006
  331    HA   VAL  44           HA       VAL  44  -8.945  -1.137   0.928
  332    HB   VAL  44           HB       VAL  44  -6.127  -1.431  -0.142
  333   1HG1  VAL  44          HG12      VAL  44  -8.553  -3.199  -0.261
  334   2HG1  VAL  44          HG11      VAL  44  -7.498  -3.112  -1.669
  335   3HG1  VAL  44          HG13      VAL  44  -6.857  -3.649  -0.120
  336   1HG2  VAL  44          HG21      VAL  44  -7.728   0.415  -0.994
  337   2HG2  VAL  44          HG23      VAL  44  -7.030  -0.658  -2.203
  338   3HG2  VAL  44          HG22      VAL  44  -8.687  -0.902  -1.662
  339    H    GLU  45           HN       GLU  45  -5.846  -1.203   2.577
  340    HA   GLU  45           HA       GLU  45  -5.784  -3.900   3.410
  341   1HB   GLU  45           HB2      GLU  45  -3.968  -2.207   3.773
  342   2HB   GLU  45           HB1      GLU  45  -4.937  -1.511   5.067
  343   1HG   GLU  45           HG2      GLU  45  -4.935  -3.704   6.235
  344   2HG   GLU  45           HG1      GLU  45  -3.941  -4.380   4.947
  345    H    LYS  46           HN       LYS  46  -7.730  -1.239   4.531
  346    HA   LYS  46           HA       LYS  46  -8.608  -2.559   6.974
  347   1HB   LYS  46           HB2      LYS  46  -9.898  -0.270   5.467
  348   2HB   LYS  46           HB1      LYS  46 -10.219  -0.729   7.135
  349   1HG   LYS  46           HG2      LYS  46  -7.500  -0.477   7.200
  350   2HG   LYS  46           HG1      LYS  46  -7.908   0.733   5.988
  351   1HD   LYS  46           HD2      LYS  46  -9.557   1.732   7.557
  352   2HD   LYS  46           HD1      LYS  46  -9.116   0.536   8.770
  353   1HE   LYS  46           HE2      LYS  46  -7.255   1.685   9.355
  354   2HE   LYS  46           HE1      LYS  46  -6.764   1.880   7.677
  355   1HZ   LYS  46           HZ2      LYS  46  -8.388   3.699   7.496
  356   2HZ   LYS  46           HZ1      LYS  46  -8.718   3.549   9.156
  357   3HZ   LYS  46           HZ3      LYS  46  -7.169   4.012   8.637
  358    H    HIS  47           HN       HIS  47  -8.957  -3.726   4.117
  359    HA   HIS  47           HA       HIS  47 -11.742  -4.676   4.605
  360   1HB   HIS  47           HB2      HIS  47 -11.444  -2.819   2.756
  361   2HB   HIS  47           HB1      HIS  47 -10.847  -4.165   1.791
  362    HD1  HIS  47           HD1      HIS  47 -13.861  -3.370   3.806
  363    HD2  HIS  47           HD2      HIS  47 -12.810  -5.707   0.661
  364    HE1  HIS  47           HE1      HIS  47 -15.944  -4.344   3.028
  365    H    LEU  48           HN       LEU  48  -8.604  -5.472   4.299
  366    HA   LEU  48           HA       LEU  48  -9.070  -7.966   2.755
  367   1HB   LEU  48           HB2      LEU  48  -6.672  -6.400   3.578
  368   2HB   LEU  48           HB1      LEU  48  -6.470  -8.137   3.385
  369    HG   LEU  48           HG       LEU  48  -7.820  -6.428   1.272
  370   1HD1  LEU  48          HD12      LEU  48  -5.526  -5.572   1.675
  371   2HD1  LEU  48          HD11      LEU  48  -4.888  -7.199   1.463
  372   3HD1  LEU  48          HD13      LEU  48  -5.645  -6.366   0.108
  373   1HD2  LEU  48          HD21      LEU  48  -7.479  -9.216   1.605
  374   2HD2  LEU  48          HD23      LEU  48  -8.004  -8.386   0.145
  375   3HD2  LEU  48          HD22      LEU  48  -6.299  -8.743   0.389
  376    H    ALA  49           HN       ALA  49  -7.472  -7.072   5.812
  377    HA   ALA  49           HA       ALA  49  -8.890  -9.130   7.292
  378   1HB   ALA  49           HB1      ALA  49  -7.188 -10.451   5.965
  379   2HB   ALA  49           HB3      ALA  49  -5.931  -9.595   6.853
  380   3HB   ALA  49           HB2      ALA  49  -7.060 -10.640   7.711
  381    H    LYS  50           HN       LYS  50  -6.064  -9.293   8.744
  382    HA   LYS  50           HA       LYS  50  -6.079  -6.606   9.987
  383   1HB   LYS  50           HB2      LYS  50  -7.075  -9.086  11.250
  384   2HB   LYS  50           HB1      LYS  50  -5.965  -8.145  12.240
  385   1HG   LYS  50           HG2      LYS  50  -8.363  -6.937  10.821
  386   2HG   LYS  50           HG1      LYS  50  -8.424  -7.515  12.480
  387   1HD   LYS  50           HD2      LYS  50  -6.105  -5.835  12.196
  388   2HD   LYS  50           HD1      LYS  50  -7.496  -4.981  11.540
  389   1HE   LYS  50           HE2      LYS  50  -7.369  -6.294  14.275
  390   2HE   LYS  50           HE1      LYS  50  -7.261  -4.565  13.969
  391   1HZ   LYS  50           HZ3      LYS  50  -9.512  -5.162  12.687
  392   2HZ   LYS  50           HZ2      LYS  50  -9.570  -6.310  13.936
  393   3HZ   LYS  50           HZ1      LYS  50  -9.457  -4.656  14.307
  394    H    ALA  51           HN       ALA  51  -3.996  -6.525   8.956
  395    HA   ALA  51           HA       ALA  51  -1.852  -7.371  10.702
  396   1HB   ALA  51           HB2      ALA  51  -2.181  -8.799   8.053
  397   2HB   ALA  51           HB1      ALA  51  -0.701  -8.826   9.005
  398   3HB   ALA  51           HB3      ALA  51  -2.179  -9.529   9.654
   
 Raw file had 398 H/Q atoms
  Start of MODEL    9
    1    OH   TYR   1           OH       TYR   1  34.189  11.600 -10.741
    2   1H    TYR   1           HT3      TYR   1  29.007   9.155  -5.556
    3   2H    TYR   1           HT2      TYR   1  30.483   9.812  -6.081
    4   3H    TYR   1           HT1      TYR   1  29.165  10.833  -5.760
    5    HA   TYR   1           HA       TYR   1  29.059  10.738  -8.024
    6   1HB   TYR   1           HB2      TYR   1  30.284   8.050  -7.613
    7   2HB   TYR   1           HB1      TYR   1  29.311   8.283  -9.063
    8    HD1  TYR   1           HD2      TYR   1  29.801  10.559 -10.356
    9    HD2  TYR   1           HD1      TYR   1  32.541   8.683  -7.697
   10    HE1  TYR   1           HE2      TYR   1  31.653  11.772 -11.408
   11    HE2  TYR   1           HE1      TYR   1  34.393   9.897  -8.750
   12    HH   TYR   1           HH       TYR   1  35.005  11.142 -10.526
   13    H    ALA   2           HN       ALA   2  27.320  10.001  -9.420
   14    HA   ALA   2           HA       ALA   2  24.868   9.617  -8.079
   15   1HB   ALA   2           HB1      ALA   2  25.680   9.029 -10.930
   16   2HB   ALA   2           HB3      ALA   2  24.019   8.881 -10.365
   17   3HB   ALA   2           HB2      ALA   2  24.828  10.444 -10.323
   18    H    SER   3           HN       SER   3  23.471   7.570  -9.132
   19    HA   SER   3           HA       SER   3  24.934   5.047  -8.783
   20   1HB   SER   3           HB2      SER   3  24.432   5.782  -6.434
   21   2HB   SER   3           HB1      SER   3  22.706   5.735  -6.839
   22    HG   SER   3           HG1      SER   3  22.830   3.598  -7.210
   23    H    LEU   4           HN       LEU   4  23.643   3.193  -9.328
   24    HA   LEU   4           HA       LEU   4  21.448   3.901 -11.188
   25   1HB   LEU   4           HB2      LEU   4  22.668   1.174 -10.725
   26   2HB   LEU   4           HB1      LEU   4  21.742   1.712 -12.122
   27    HG   LEU   4           HG       LEU   4  24.459   2.773 -11.269
   28   1HD1  LEU   4          HD11      LEU   4  24.177   0.443 -12.424
   29   2HD1  LEU   4          HD13      LEU   4  23.778   1.383 -13.858
   30   3HD1  LEU   4          HD12      LEU   4  25.352   1.572 -13.093
   31   1HD2  LEU   4          HD22      LEU   4  22.445   3.622 -13.338
   32   2HD2  LEU   4          HD21      LEU   4  23.436   4.623 -12.281
   33   3HD2  LEU   4          HD23      LEU   4  24.162   3.825 -13.674
   34    H    GLU   5           HN       GLU   5  22.046   1.594  -8.545
   35    HA   GLU   5           HA       GLU   5  19.123   1.166  -8.293
   36   1HB   GLU   5           HB2      GLU   5  21.060  -0.640  -8.160
   37   2HB   GLU   5           HB1      GLU   5  21.115  -0.130  -6.477
   38   1HG   GLU   5           HG2      GLU   5  18.659  -0.544  -6.300
   39   2HG   GLU   5           HG1      GLU   5  18.660  -1.131  -7.961
   40    H    GLU   6           HN       GLU   6  19.755   3.726  -7.645
   41    HA   GLU   6           HA       GLU   6  18.941   3.839  -4.843
   42   1HB   GLU   6           HB2      GLU   6  21.714   3.976  -5.458
   43   2HB   GLU   6           HB1      GLU   6  21.201   5.594  -4.996
   44   1HG   GLU   6           HG2      GLU   6  20.178   4.692  -2.934
   45   2HG   GLU   6           HG1      GLU   6  20.667   3.064  -3.400
   46    H    GLN   7           HN       GLN   7  18.292   4.769  -7.682
   47    HA   GLN   7           HA       GLN   7  18.516   7.602  -7.831
   48   1HB   GLN   7           HB2      GLN   7  16.298   7.280  -9.222
   49   2HB   GLN   7           HB1      GLN   7  17.823   6.649  -9.833
   50   1HG   GLN   7           HG2      GLN   7  17.304   4.430  -9.164
   51   2HG   GLN   7           HG1      GLN   7  16.025   4.967  -8.078
   52   1HE2  GLN   7          HE22      GLN   7  15.126   5.416 -12.063
   53   2HE2  GLN   7          HE21      GLN   7  16.624   5.961 -11.476
   54    H    ASN   8           HN       ASN   8  17.799   8.999  -6.353
   55    HA   ASN   8           HA       ASN   8  16.447   9.934  -4.664
   56   1HB   ASN   8           HB2      ASN   8  13.992   8.867  -5.950
   57   2HB   ASN   8           HB1      ASN   8  14.395  10.521  -5.498
   58   1HD2  ASN   8          HD22      ASN   8  14.600   9.780  -9.297
   59   2HD2  ASN   8          HD21      ASN   8  13.494   9.176  -8.159
   60    H    ASN   9           HN       ASN   9  13.781   8.940  -3.957
   61    HA   ASN   9           HA       ASN   9  14.452   6.322  -2.685
   62   1HB   ASN   9           HB2      ASN   9  12.904   8.269  -1.059
   63   2HB   ASN   9           HB1      ASN   9  14.094   7.076  -0.547
   64   1HD2  ASN   9          HD22      ASN   9  16.868   9.273  -0.943
   65   2HD2  ASN   9          HD21      ASN   9  16.394   7.651  -0.786
   66    H    ASP  10           HN       ASP  10  12.160   5.949  -1.244
   67    HA   ASP  10           HA       ASP  10   9.860   6.448  -3.023
   68   1HB   ASP  10           HB2      ASP  10   9.358   4.144  -3.439
   69   2HB   ASP  10           HB1      ASP  10  11.061   4.351  -3.838
   70    H    ALA  11           HN       ALA  11   7.861   5.285  -2.052
   71    HA   ALA  11           HA       ALA  11   8.042   5.082   0.906
   72   1HB   ALA  11           HB2      ALA  11   6.237   6.988  -0.602
   73   2HB   ALA  11           HB1      ALA  11   6.015   6.575   1.096
   74   3HB   ALA  11           HB3      ALA  11   7.478   7.406   0.576
   75    H    LEU  12           HN       LEU  12   5.060   5.565  -0.822
   76    HA   LEU  12           HA       LEU  12   3.735   3.318   0.176
   77   1HB   LEU  12           HB2      LEU  12   3.402   4.851  -2.397
   78   2HB   LEU  12           HB1      LEU  12   2.349   3.497  -2.001
   79    HG   LEU  12           HG       LEU  12   2.775   5.502   0.157
   80   1HD1  LEU  12          HD11      LEU  12   1.370   6.073  -2.453
   81   2HD1  LEU  12          HD13      LEU  12   0.831   6.834  -0.960
   82   3HD1  LEU  12          HD12      LEU  12   2.467   7.110  -1.550
   83   1HD2  LEU  12          HD23      LEU  12   1.260   3.392   0.126
   84   2HD2  LEU  12          HD22      LEU  12   0.553   4.889   0.727
   85   3HD2  LEU  12          HD21      LEU  12   0.196   4.339  -0.907
   86    H    SER  13           HN       SER  13   3.263   1.246  -0.695
   87    HA   SER  13           HA       SER  13   5.498  -0.137  -1.776
   88   1HB   SER  13           HB2      SER  13   2.695  -0.792  -1.105
   89   2HB   SER  13           HB1      SER  13   3.483  -1.864  -2.280
   90    HG   SER  13           HG1      SER  13   5.115  -2.234  -0.862
   91    HA   PRO  14           HA       PRO  14   4.696   1.253  -6.046
   92   1HB   PRO  14           HB2      PRO  14   6.702  -0.530  -7.065
   93   2HB   PRO  14           HB1      PRO  14   6.789   1.225  -6.904
   94   1HG   PRO  14           HG2      PRO  14   8.159  -0.757  -5.308
   95   2HG   PRO  14           HG1      PRO  14   8.231   0.996  -5.136
   96   1HD   PRO  14           HD1      PRO  14   6.882  -0.907  -3.425
   97   2HD   PRO  14           HD2      PRO  14   6.985   0.854  -3.229
   98    H    ALA  15           HN       ALA  15   4.461  -1.807  -4.639
   99    HA   ALA  15           HA       ALA  15   3.378  -3.074  -7.101
  100   1HB   ALA  15           HB3      ALA  15   4.446  -4.049  -4.510
  101   2HB   ALA  15           HB2      ALA  15   3.144  -4.997  -5.220
  102   3HB   ALA  15           HB1      ALA  15   4.628  -4.725  -6.125
  103    H    ILE  16           HN       ILE  16   2.185  -1.012  -4.992
  104    HA   ILE  16           HA       ILE  16  -0.132  -2.273  -3.893
  105    HB   ILE  16           HB       ILE  16   0.677  -0.056  -3.161
  106   1HG1  ILE  16          HG12      ILE  16  -2.047   0.490  -4.297
  107   2HG1  ILE  16          HG11      ILE  16  -1.867  -0.871  -3.198
  108   1HG2  ILE  16          HG21      ILE  16   1.331   0.746  -5.435
  109   2HG2  ILE  16          HG23      ILE  16  -0.371   0.913  -5.845
  110   3HG2  ILE  16          HG22      ILE  16   0.331   1.911  -4.579
  111   1HD1  ILE  16           HD2      ILE  16  -0.684   1.799  -2.466
  112   2HD1  ILE  16           HD1      ILE  16  -2.401   1.504  -2.212
  113   3HD1  ILE  16           HD3      ILE  16  -1.206   0.493  -1.407
  114    NH1  ARG  17           NH1      ARG  17   0.548   3.085 -12.377
  115    NH2  ARG  17           NH2      ARG  17  -1.570   2.612 -13.094
  116    H    ARG  17           HN       ARG  17   0.541  -0.883  -7.033
  117    HA   ARG  17           HA       ARG  17  -2.191  -0.873  -7.970
  118   1HB   ARG  17           HB2      ARG  17   0.396  -1.012  -9.543
  119   2HB   ARG  17           HB1      ARG  17  -1.185  -0.613 -10.207
  120   1HG   ARG  17           HG2      ARG  17  -1.315   1.323  -8.623
  121   2HG   ARG  17           HG1      ARG  17   0.320   0.952  -8.086
  122   1HD   ARG  17           HD2      ARG  17   0.692   2.574  -9.754
  123   2HD   ARG  17           HD1      ARG  17   0.914   1.065 -10.640
  124    HE   ARG  17           HE       ARG  17  -1.844   1.893 -10.753
  125   1HH1  ARG  17          HH11      ARG  17   1.234   3.048 -11.650
  126   2HH1  ARG  17          HH12      ARG  17   0.773   3.501 -13.258
  127   1HH2  ARG  17          HH21      ARG  17  -2.471   2.223 -12.904
  128   2HH2  ARG  17          HH22      ARG  17  -1.379   3.021 -13.987
  129    NH1  ARG  18           NH2      ARG  18   1.285  -3.292 -12.821
  130    NH2  ARG  18           NH1      ARG  18   3.323  -2.287 -13.069
  131    H    ARG  18           HN       ARG  18   0.420  -3.221  -8.010
  132    HA   ARG  18           HA       ARG  18  -1.033  -5.106  -9.701
  133   1HB   ARG  18           HB2      ARG  18   1.490  -5.287  -8.052
  134   2HB   ARG  18           HB1      ARG  18   0.825  -6.682  -8.893
  135   1HG   ARG  18           HG2      ARG  18   2.500  -5.550 -10.306
  136   2HG   ARG  18           HG1      ARG  18   0.903  -5.422 -11.031
  137   1HD   ARG  18           HD2      ARG  18   0.694  -3.150 -10.489
  138   2HD   ARG  18           HD1      ARG  18   1.854  -3.257  -9.167
  139    HE   ARG  18           HE       ARG  18   3.635  -3.076 -10.761
  140   1HH1  ARG  18          HH21      ARG  18   0.632  -3.769 -12.233
  141   2HH1  ARG  18          HH22      ARG  18   1.056  -3.107 -13.776
  142   1HH2  ARG  18          HH11      ARG  18   4.196  -2.011 -12.669
  143   2HH2  ARG  18          HH12      ARG  18   3.127  -2.085 -14.029
  144    H    LEU  19           HN       LEU  19  -1.097  -4.247  -6.422
  145    HA   LEU  19           HA       LEU  19  -1.860  -6.831  -5.338
  146   1HB   LEU  19           HB2      LEU  19  -0.927  -4.734  -4.103
  147   2HB   LEU  19           HB1      LEU  19  -2.603  -4.196  -4.092
  148    HG   LEU  19           HG       LEU  19  -2.963  -6.737  -3.249
  149   1HD1  LEU  19          HD13      LEU  19  -0.509  -7.193  -3.346
  150   2HD1  LEU  19          HD12      LEU  19  -0.246  -5.910  -2.169
  151   3HD1  LEU  19          HD11      LEU  19  -1.147  -7.352  -1.713
  152   1HD2  LEU  19          HD21      LEU  19  -2.121  -4.359  -1.556
  153   2HD2  LEU  19          HD23      LEU  19  -3.760  -4.740  -2.076
  154   3HD2  LEU  19          HD22      LEU  19  -2.934  -5.790  -0.929
  155    H    LEU  20           HN       LEU  20  -3.761  -3.836  -5.656
  156    HA   LEU  20           HA       LEU  20  -6.302  -4.870  -5.236
  157   1HB   LEU  20           HB2      LEU  20  -5.377  -2.735  -7.160
  158   2HB   LEU  20           HB1      LEU  20  -7.081  -3.090  -6.900
  159    HG   LEU  20           HG       LEU  20  -5.402  -2.718  -4.463
  160   1HD1  LEU  20          HD13      LEU  20  -6.139  -0.513  -6.404
  161   2HD1  LEU  20          HD12      LEU  20  -5.837  -0.198  -4.698
  162   3HD1  LEU  20          HD11      LEU  20  -4.557  -0.857  -5.712
  163   1HD2  LEU  20          HD23      LEU  20  -7.853  -3.227  -4.423
  164   2HD2  LEU  20          HD22      LEU  20  -7.474  -1.688  -3.657
  165   3HD2  LEU  20          HD21      LEU  20  -8.152  -1.719  -5.282
  166    H    ALA  21           HN       ALA  21  -4.247  -5.314  -8.002
  167    HA   ALA  21           HA       ALA  21  -6.337  -6.337  -9.749
  168   1HB   ALA  21           HB1      ALA  21  -4.227  -5.358 -10.620
  169   2HB   ALA  21           HB3      ALA  21  -3.333  -6.703  -9.918
  170   3HB   ALA  21           HB2      ALA  21  -4.487  -6.994 -11.217
  171    H    GLU  22           HN       GLU  22  -3.980  -7.727  -7.541
  172    HA   GLU  22           HA       GLU  22  -4.375 -10.469  -8.268
  173   1HB   GLU  22           HB2      GLU  22  -2.478  -9.702  -6.886
  174   2HB   GLU  22           HB1      GLU  22  -3.591  -9.299  -5.584
  175   1HG   GLU  22           HG2      GLU  22  -4.179 -11.586  -5.238
  176   2HG   GLU  22           HG1      GLU  22  -3.471 -12.080  -6.774
  177    H    HIS  23           HN       HIS  23  -6.000  -8.353  -5.964
  178    HA   HIS  23           HA       HIS  23  -7.872 -10.552  -5.254
  179   1HB   HIS  23           HB2      HIS  23  -7.905  -7.767  -4.103
  180   2HB   HIS  23           HB1      HIS  23  -8.494  -9.258  -3.375
  181    HD1  HIS  23           HD1      HIS  23  -6.493 -10.953  -2.834
  182    HD2  HIS  23           HD2      HIS  23  -5.315  -7.121  -3.461
  183    HE1  HIS  23           HE1      HIS  23  -4.257 -10.827  -1.899
  184    H    ASN  24           HN       ASN  24  -7.628  -7.760  -7.210
  185    HA   ASN  24           HA       ASN  24  -9.206  -6.609  -8.522
  186   1HB   ASN  24           HB2      ASN  24  -9.334  -8.887  -9.509
  187   2HB   ASN  24           HB1      ASN  24 -10.620  -9.286  -8.372
  188   1HD2  ASN  24          HD22      ASN  24 -11.942  -6.126 -10.484
  189   2HD2  ASN  24          HD21      ASN  24 -10.721  -5.997  -9.313
  190    H    LEU  25           HN       LEU  25  -9.674  -5.357  -6.510
  191    HA   LEU  25           HA       LEU  25 -12.477  -5.849  -5.566
  192   1HB   LEU  25           HB2      LEU  25 -10.206  -4.464  -4.117
  193   2HB   LEU  25           HB1      LEU  25 -11.838  -4.664  -3.494
  194    HG   LEU  25           HG       LEU  25 -10.348  -7.104  -4.422
  195   1HD1  LEU  25          HD11      LEU  25  -9.978  -5.753  -1.725
  196   2HD1  LEU  25          HD13      LEU  25  -9.351  -7.338  -2.168
  197   3HD1  LEU  25          HD12      LEU  25  -8.743  -5.894  -2.972
  198   1HD2  LEU  25          HD22      LEU  25 -12.314  -6.537  -2.174
  199   2HD2  LEU  25          HD21      LEU  25 -12.715  -7.266  -3.724
  200   3HD2  LEU  25          HD23      LEU  25 -11.678  -8.123  -2.590
  201    H    ASP  26           HN       ASP  26 -13.652  -3.845  -4.960
  202    HA   ASP  26           HA       ASP  26 -13.227  -1.806  -7.053
  203   1HB   ASP  26           HB2      ASP  26 -15.497  -2.920  -6.117
  204   2HB   ASP  26           HB1      ASP  26 -15.421  -1.505  -5.071
  205    H    ALA  27           HN       ALA  27 -11.902  -0.164  -6.612
  206    HA   ALA  27           HA       ALA  27 -11.222   0.599  -3.891
  207   1HB   ALA  27           HB3      ALA  27 -10.523   1.613  -6.629
  208   2HB   ALA  27           HB2      ALA  27 -10.116   2.574  -5.210
  209   3HB   ALA  27           HB1      ALA  27  -9.463   0.948  -5.390
  210    H    SER  28           HN       SER  28 -13.818   1.294  -5.887
  211    HA   SER  28           HA       SER  28 -14.247   4.052  -5.003
  212   1HB   SER  28           HB2      SER  28 -15.685   4.066  -6.757
  213   2HB   SER  28           HB1      SER  28 -15.318   2.351  -7.031
  214    HG   SER  28           HG1      SER  28 -17.027   1.783  -5.898
  215    H    ALA  29           HN       ALA  29 -14.868   0.936  -3.771
  216    HA   ALA  29           HA       ALA  29 -17.072   1.882  -2.027
  217   1HB   ALA  29           HB2      ALA  29 -16.728  -0.504  -3.235
  218   2HB   ALA  29           HB1      ALA  29 -15.936  -0.845  -1.699
  219   3HB   ALA  29           HB3      ALA  29 -17.618  -0.326  -1.725
  220    H    ILE  30           HN       ILE  30 -13.724   1.730  -2.005
  221    HA   ILE  30           HA       ILE  30 -13.487   1.290   0.904
  222    HB   ILE  30           HB       ILE  30 -11.332   2.086  -1.072
  223   1HG1  ILE  30          HG12      ILE  30 -12.324   0.026  -1.875
  224   2HG1  ILE  30          HG11      ILE  30 -10.802  -0.387  -1.103
  225   1HG2  ILE  30          HG21      ILE  30 -11.385   1.575   1.799
  226   2HG2  ILE  30          HG23      ILE  30 -10.284   0.474   0.982
  227   3HG2  ILE  30          HG22      ILE  30 -10.080   2.212   0.808
  228   1HD1  ILE  30           HD1      ILE  30 -12.286  -0.719   1.047
  229   2HD1  ILE  30           HD3      ILE  30 -13.611  -0.830  -0.103
  230   3HD1  ILE  30           HD2      ILE  30 -12.277  -1.973  -0.185
  231    H    LYS  31           HN       LYS  31 -12.680   2.870   2.349
  232    HA   LYS  31           HA       LYS  31 -13.591   5.574   1.740
  233   1HB   LYS  31           HB2      LYS  31 -13.688   4.354   4.013
  234   2HB   LYS  31           HB1      LYS  31 -11.985   4.773   4.163
  235   1HG   LYS  31           HG2      LYS  31 -12.528   7.159   3.872
  236   2HG   LYS  31           HG1      LYS  31 -14.229   6.760   3.661
  237   1HD   LYS  31           HD2      LYS  31 -12.868   5.737   6.118
  238   2HD   LYS  31           HD1      LYS  31 -13.241   7.455   6.052
  239   1HE   LYS  31           HE2      LYS  31 -15.595   6.963   5.595
  240   2HE   LYS  31           HE1      LYS  31 -15.250   5.240   5.531
  241   1HZ   LYS  31           HZ2      LYS  31 -14.243   6.054   7.934
  242   2HZ   LYS  31           HZ1      LYS  31 -15.703   6.910   7.791
  243   3HZ   LYS  31           HZ3      LYS  31 -15.697   5.215   7.682
  244    H    GLY  32           HN       GLY  32 -11.685   5.041  -0.093
  245   1HA   GLY  32           HA2      GLY  32  -8.997   5.601   0.521
  246   2HA   GLY  32           HA1      GLY  32  -9.755   6.012  -1.016
  247    H    THR  33           HN       THR  33  -8.456   7.221   1.876
  248    HA   THR  33           HA       THR  33  -9.734   9.879   1.537
  249    HB   THR  33           HB       THR  33  -8.136  10.271   3.669
  250    HG1  THR  33           HG1      THR  33  -7.135   8.246   3.372
  251   1HG2  THR  33          HG21      THR  33 -10.661   8.576   3.595
  252   2HG2  THR  33          HG23      THR  33  -9.915   9.116   5.097
  253   3HG2  THR  33          HG22      THR  33 -10.558  10.296   3.958
  254    H    GLY  34           HN       GLY  34  -6.403   9.008   2.390
  255   1HA   GLY  34           HA2      GLY  34  -4.390  10.038   1.716
  256   2HA   GLY  34           HA1      GLY  34  -5.034   9.763   0.100
  257    H    VAL  35           HN       VAL  35  -3.895  11.756  -0.452
  258    HA   VAL  35           HA       VAL  35  -5.035  14.253   0.653
  259    HB   VAL  35           HB       VAL  35  -3.072  14.240  -1.602
  260   1HG1  VAL  35          HG11      VAL  35  -4.125  16.247  -0.227
  261   2HG1  VAL  35          HG13      VAL  35  -2.899  15.805   0.957
  262   3HG1  VAL  35          HG12      VAL  35  -2.422  16.281  -0.670
  263   1HG2  VAL  35          HG21      VAL  35  -2.508  13.391   1.255
  264   2HG2  VAL  35          HG23      VAL  35  -2.151  12.491  -0.216
  265   3HG2  VAL  35          HG22      VAL  35  -1.255  13.960   0.157
  266    H    GLY  36           HN       GLY  36  -6.911  14.909  -0.199
  267   1HA   GLY  36           HA2      GLY  36  -8.210  15.874  -1.968
  268   2HA   GLY  36           HA1      GLY  36  -7.124  15.130  -3.138
  269    H    GLY  37           HN       GLY  37  -8.050  12.978  -0.713
  270   1HA   GLY  37           HA2      GLY  37  -9.858  11.410  -0.598
  271   2HA   GLY  37           HA1      GLY  37 -10.492  12.071  -2.102
  272    NH1  ARG  38           NH1      ARG  38  -2.457   6.939  -6.603
  273    NH2  ARG  38           NH2      ARG  38  -1.007   8.522  -5.820
  274    H    ARG  38           HN       ARG  38  -7.146  11.140  -1.703
  275    HA   ARG  38           HA       ARG  38  -7.406   9.264  -3.945
  276   1HB   ARG  38           HB2      ARG  38  -5.369  10.881  -3.023
  277   2HB   ARG  38           HB1      ARG  38  -4.852   9.279  -2.504
  278   1HG   ARG  38           HG2      ARG  38  -5.398   8.489  -4.881
  279   2HG   ARG  38           HG1      ARG  38  -5.525  10.191  -5.313
  280   1HD   ARG  38           HD2      ARG  38  -3.277  10.106  -5.650
  281   2HD   ARG  38           HD1      ARG  38  -3.138  10.085  -3.893
  282    HE   ARG  38           HE       ARG  38  -3.256   7.520  -4.148
  283   1HH1  ARG  38          HH11      ARG  38  -3.336   6.468  -6.523
  284   2HH1  ARG  38          HH12      ARG  38  -1.820   6.688  -7.332
  285   1HH2  ARG  38          HH21      ARG  38  -0.799   9.238  -5.155
  286   2HH2  ARG  38          HH22      ARG  38  -0.346   8.298  -6.537
  287    H    LEU  39           HN       LEU  39  -6.552   7.051  -3.799
  288    HA   LEU  39           HA       LEU  39  -7.429   5.796  -1.260
  289   1HB   LEU  39           HB2      LEU  39  -8.431   4.831  -3.220
  290   2HB   LEU  39           HB1      LEU  39  -6.874   4.697  -4.025
  291    HG   LEU  39           HG       LEU  39  -6.145   2.966  -2.498
  292   1HD1  LEU  39          HD11      LEU  39  -8.609   3.790  -0.952
  293   2HD1  LEU  39          HD13      LEU  39  -7.870   2.211  -0.709
  294   3HD1  LEU  39          HD12      LEU  39  -6.949   3.675  -0.376
  295   1HD2  LEU  39          HD22      LEU  39  -7.784   2.355  -4.336
  296   2HD2  LEU  39          HD21      LEU  39  -7.756   1.232  -2.980
  297   3HD2  LEU  39          HD23      LEU  39  -9.059   2.407  -3.122
  298    H    THR  40           HN       THR  40  -5.874   5.543   0.222
  299    HA   THR  40           HA       THR  40  -3.074   5.127  -0.654
  300    HB   THR  40           HB       THR  40  -2.710   5.291   1.941
  301    HG1  THR  40           HG1      THR  40  -5.385   6.189   1.531
  302   1HG2  THR  40          HG21      THR  40  -3.991   7.595   0.414
  303   2HG2  THR  40          HG23      THR  40  -3.105   7.762   1.926
  304   3HG2  THR  40          HG22      THR  40  -2.266   7.245   0.468
  305    NH1  ARG  41           NH1      ARG  41   0.451  -3.169   3.486
  306    NH2  ARG  41           NH2      ARG  41   2.092  -3.744   2.003
  307    H    ARG  41           HN       ARG  41  -2.082   3.652   1.448
  308    HA   ARG  41           HA       ARG  41  -3.176   0.976   0.794
  309   1HB   ARG  41           HB2      ARG  41  -0.687   1.563   0.681
  310   2HB   ARG  41           HB1      ARG  41  -0.717   1.578   2.441
  311   1HG   ARG  41           HG2      ARG  41  -1.769  -0.757   2.299
  312   2HG   ARG  41           HG1      ARG  41  -1.329  -0.744   0.595
  313   1HD   ARG  41           HD2      ARG  41   1.052  -0.095   1.451
  314   2HD   ARG  41           HD1      ARG  41   0.484  -0.695   3.007
  315    HE   ARG  41           HE       ARG  41   0.404  -2.413   0.559
  316   1HH1  ARG  41          HH11      ARG  41  -0.345  -2.606   3.706
  317   2HH1  ARG  41          HH12      ARG  41   0.790  -3.837   4.149
  318   1HH2  ARG  41          HH21      ARG  41   2.524  -3.612   1.112
  319   2HH2  ARG  41          HH22      ARG  41   2.457  -4.421   2.642
  320    H    GLU  42           HN       GLU  42  -2.969   3.232   3.410
  321    HA   GLU  42           HA       GLU  42  -3.590   1.284   5.496
  322   1HB   GLU  42           HB2      GLU  42  -2.570   3.838   5.494
  323   2HB   GLU  42           HB1      GLU  42  -4.219   4.102   6.050
  324   1HG   GLU  42           HG2      GLU  42  -2.922   3.643   8.019
  325   2HG   GLU  42           HG1      GLU  42  -3.835   2.173   7.688
  326    H    ASP  43           HN       ASP  43  -5.383   1.462   3.156
  327    HA   ASP  43           HA       ASP  43  -7.929   1.998   4.639
  328   1HB   ASP  43           HB2      ASP  43  -7.560   2.490   1.680
  329   2HB   ASP  43           HB1      ASP  43  -8.913   2.980   2.694
  330    H    VAL  44           HN       VAL  44  -6.699   0.493   1.654
  331    HA   VAL  44           HA       VAL  44  -8.804  -1.378   1.340
  332    HB   VAL  44           HB       VAL  44  -5.916  -1.909   0.616
  333   1HG1  VAL  44          HG11      VAL  44  -8.239  -3.399   0.272
  334   2HG1  VAL  44          HG13      VAL  44  -8.074  -2.554  -1.266
  335   3HG1  VAL  44          HG12      VAL  44  -6.765  -3.574  -0.677
  336   1HG2  VAL  44          HG22      VAL  44  -7.993  -0.158  -0.740
  337   2HG2  VAL  44          HG21      VAL  44  -6.413   0.341  -0.142
  338   3HG2  VAL  44          HG23      VAL  44  -6.529  -0.725  -1.538
  339    H    GLU  45           HN       GLU  45  -5.944  -1.455   3.358
  340    HA   GLU  45           HA       GLU  45  -5.723  -4.141   4.039
  341   1HB   GLU  45           HB2      GLU  45  -4.260  -2.421   4.985
  342   2HB   GLU  45           HB1      GLU  45  -5.602  -1.769   5.919
  343   1HG   GLU  45           HG2      GLU  45  -5.435  -3.401   7.498
  344   2HG   GLU  45           HG1      GLU  45  -5.218  -4.665   6.290
  345    H    LYS  46           HN       LYS  46  -7.959  -1.788   5.482
  346    HA   LYS  46           HA       LYS  46  -9.287  -3.828   7.086
  347   1HB   LYS  46           HB2      LYS  46  -9.872  -0.934   6.467
  348   2HB   LYS  46           HB1      LYS  46 -10.990  -1.921   7.400
  349   1HG   LYS  46           HG2      LYS  46  -8.145  -2.077   8.232
  350   2HG   LYS  46           HG1      LYS  46  -8.936  -0.531   8.519
  351   1HD   LYS  46           HD2      LYS  46 -10.755  -1.664   9.729
  352   2HD   LYS  46           HD1      LYS  46 -10.021  -3.229   9.397
  353   1HE   LYS  46           HE2      LYS  46  -8.728  -3.003  11.230
  354   2HE   LYS  46           HE1      LYS  46  -8.001  -1.561  10.532
  355   1HZ   LYS  46           HZ1      LYS  46 -10.531  -1.612  12.079
  356   2HZ   LYS  46           HZ3      LYS  46  -9.019  -1.141  12.691
  357   3HZ   LYS  46           HZ2      LYS  46  -9.759  -0.232  11.461
  358    H    HIS  47           HN       HIS  47  -9.234  -4.650   4.438
  359    HA   HIS  47           HA       HIS  47 -12.144  -4.771   3.877
  360   1HB   HIS  47           HB2      HIS  47 -10.819  -2.947   2.491
  361   2HB   HIS  47           HB1      HIS  47 -10.311  -4.344   1.547
  362    HD1  HIS  47           HD1      HIS  47 -13.543  -3.002   2.813
  363    HD2  HIS  47           HD2      HIS  47 -12.098  -5.022  -0.396
  364    HE1  HIS  47           HE1      HIS  47 -15.446  -3.257   1.328
  365    H    LEU  48           HN       LEU  48  -8.957  -5.825   2.684
  366    HA   LEU  48           HA       LEU  48  -9.715  -8.191   1.399
  367   1HB   LEU  48           HB2      LEU  48  -7.257  -7.308   2.840
  368   2HB   LEU  48           HB1      LEU  48  -7.392  -9.015   2.432
  369    HG   LEU  48           HG       LEU  48  -8.024  -6.952   0.337
  370   1HD1  LEU  48          HD13      LEU  48  -5.281  -7.824   1.282
  371   2HD1  LEU  48          HD12      LEU  48  -5.560  -7.189  -0.337
  372   3HD1  LEU  48          HD11      LEU  48  -5.875  -6.180   1.071
  373   1HD2  LEU  48          HD23      LEU  48  -8.210  -9.631   0.314
  374   2HD2  LEU  48          HD22      LEU  48  -7.737  -8.727  -1.121
  375   3HD2  LEU  48          HD21      LEU  48  -6.509  -9.489  -0.116
  376    H    ALA  49           HN       ALA  49  -9.793 -10.389   2.072
  377    HA   ALA  49           HA       ALA  49 -10.739 -10.701   4.885
  378   1HB   ALA  49           HB1      ALA  49 -11.257 -12.219   2.337
  379   2HB   ALA  49           HB3      ALA  49 -11.597 -12.945   3.907
  380   3HB   ALA  49           HB2      ALA  49 -12.420 -11.465   3.423
  381    H    LYS  50           HN       LYS  50  -8.962 -11.161   6.099
  382    HA   LYS  50           HA       LYS  50  -6.643 -12.542   5.317
  383   1HB   LYS  50           HB2      LYS  50  -7.281 -11.339   7.568
  384   2HB   LYS  50           HB1      LYS  50  -7.756 -12.957   8.071
  385   1HG   LYS  50           HG2      LYS  50  -5.523 -13.029   8.677
  386   2HG   LYS  50           HG1      LYS  50  -5.376 -13.578   7.011
  387   1HD   LYS  50           HD2      LYS  50  -4.952 -11.233   6.295
  388   2HD   LYS  50           HD1      LYS  50  -5.050 -10.715   7.975
  389   1HE   LYS  50           HE2      LYS  50  -3.242 -12.941   7.810
  390   2HE   LYS  50           HE1      LYS  50  -2.780 -11.758   6.593
  391   1HZ   LYS  50           HZ3      LYS  50  -3.280 -11.108   9.442
  392   2HZ   LYS  50           HZ2      LYS  50  -1.742 -11.393   8.780
  393   3HZ   LYS  50           HZ1      LYS  50  -2.663 -10.068   8.250
  394    H    ALA  51           HN       ALA  51  -6.125 -14.643   5.005
  395    HA   ALA  51           HA       ALA  51  -7.986 -16.751   5.943
  396   1HB   ALA  51           HB1      ALA  51  -8.280 -15.822   3.403
  397   2HB   ALA  51           HB3      ALA  51  -7.088 -17.092   3.144
  398   3HB   ALA  51           HB2      ALA  51  -8.641 -17.478   3.881
   
 Raw file had 398 H/Q atoms
  Start of MODEL   10
    1    OH   TYR   1           OH       TYR   1  31.763  -2.854  -5.534
    2   1H    TYR   1           HT3      TYR   1  29.493   1.843  -0.860
    3   2H    TYR   1           HT2      TYR   1  29.982   0.401  -1.614
    4   3H    TYR   1           HT1      TYR   1  29.900   1.843  -2.509
    5    HA   TYR   1           HA       TYR   1  27.815   1.436  -3.049
    6   1HB   TYR   1           HB2      TYR   1  27.886  -0.946  -1.180
    7   2HB   TYR   1           HB1      TYR   1  26.833  -0.716  -2.575
    8    HD1  TYR   1           HD1      TYR   1  30.279  -1.444  -1.496
    9    HD2  TYR   1           HD2      TYR   1  27.699  -0.979  -4.845
   10    HE1  TYR   1           HE1      TYR   1  31.981  -2.451  -2.946
   11    HE2  TYR   1           HE2      TYR   1  29.401  -1.986  -6.295
   12    HH   TYR   1           HH       TYR   1  32.342  -2.153  -5.842
   13    H    ALA   2           HN       ALA   2  26.607   3.068  -2.261
   14    HA   ALA   2           HA       ALA   2  26.017   3.323   0.585
   15   1HB   ALA   2           HB3      ALA   2  25.054   4.799  -1.871
   16   2HB   ALA   2           HB2      ALA   2  24.491   5.185  -0.249
   17   3HB   ALA   2           HB1      ALA   2  26.195   5.364  -0.653
   18    H    SER   3           HN       SER   3  25.051   0.998  -1.230
   19    HA   SER   3           HA       SER   3  22.126   1.226  -0.821
   20   1HB   SER   3           HB2      SER   3  22.052  -0.949  -2.060
   21   2HB   SER   3           HB1      SER   3  22.946   0.287  -2.965
   22    HG   SER   3           HG1      SER   3  24.858  -0.534  -2.152
   23    H    LEU   4           HN       LEU   4  23.566   1.190   1.555
   24    HA   LEU   4           HA       LEU   4  23.500  -1.572   2.589
   25   1HB   LEU   4           HB2      LEU   4  24.449   1.074   3.602
   26   2HB   LEU   4           HB1      LEU   4  24.047  -0.170   4.780
   27    HG   LEU   4           HG       LEU   4  25.756  -0.906   2.423
   28   1HD1  LEU   4          HD12      LEU   4  26.521   0.817   4.760
   29   2HD1  LEU   4          HD11      LEU   4  27.685  -0.363   4.167
   30   3HD1  LEU   4          HD13      LEU   4  27.081   0.894   3.092
   31   1HD2  LEU   4          HD23      LEU   4  24.751  -2.397   4.395
   32   2HD2  LEU   4          HD22      LEU   4  26.368  -2.701   3.769
   33   3HD2  LEU   4          HD21      LEU   4  26.159  -1.788   5.260
   34    H    GLU   5           HN       GLU   5  21.742   1.460   2.952
   35    HA   GLU   5           HA       GLU   5  19.503  -0.074   4.181
   36   1HB   GLU   5           HB2      GLU   5  21.036   1.231   5.864
   37   2HB   GLU   5           HB1      GLU   5  20.187   2.645   5.248
   38   1HG   GLU   5           HG2      GLU   5  18.058   1.057   5.658
   39   2HG   GLU   5           HG1      GLU   5  19.138   0.360   6.863
   40    H    GLU   6           HN       GLU   6  20.468   1.766   1.720
   41    HA   GLU   6           HA       GLU   6  18.107   3.540   1.594
   42   1HB   GLU   6           HB2      GLU   6  20.410   4.263   0.832
   43   2HB   GLU   6           HB1      GLU   6  20.246   3.129  -0.504
   44   1HG   GLU   6           HG2      GLU   6  19.202   4.810  -1.619
   45   2HG   GLU   6           HG1      GLU   6  17.837   4.534  -0.540
   46    H    GLN   7           HN       GLN   7  16.620   1.672   1.569
   47    HA   GLN   7           HA       GLN   7  15.917   0.990  -1.186
   48   1HB   GLN   7           HB2      GLN   7  15.862  -1.542  -0.427
   49   2HB   GLN   7           HB1      GLN   7  17.342  -0.835  -1.064
   50   1HG   GLN   7           HG2      GLN   7  18.317  -0.636   1.067
   51   2HG   GLN   7           HG1      GLN   7  16.760  -0.687   1.889
   52   1HE2  GLN   7          HE22      GLN   7  16.952  -4.151   2.371
   53   2HE2  GLN   7          HE21      GLN   7  16.328  -2.651   2.864
   54    H    ASN   8           HN       ASN   8  13.755   0.804  -1.346
   55    HA   ASN   8           HA       ASN   8  11.516   0.932  -0.608
   56   1HB   ASN   8           HB2      ASN   8  12.550  -1.318   1.140
   57   2HB   ASN   8           HB1      ASN   8  10.855  -0.997   0.786
   58   1HD2  ASN   8          HD22      ASN   8  12.582  -3.445  -1.668
   59   2HD2  ASN   8          HD21      ASN   8  12.803  -3.292   0.007
   60    H    ASN   9           HN       ASN   9  11.774   3.026   0.380
   61    HA   ASN   9           HA       ASN   9  10.913   3.112   3.109
   62   1HB   ASN   9           HB2      ASN   9  13.025   4.294   3.982
   63   2HB   ASN   9           HB1      ASN   9  13.117   2.546   3.795
   64   1HD2  ASN   9          HD22      ASN   9  16.068   3.133   1.936
   65   2HD2  ASN   9          HD21      ASN   9  15.396   2.481   3.352
   66    H    ASP  10           HN       ASP  10  10.349   4.286   0.498
   67    HA   ASP  10           HA       ASP  10  10.298   7.122   1.369
   68   1HB   ASP  10           HB2      ASP  10  10.979   7.824  -0.966
   69   2HB   ASP  10           HB1      ASP  10  12.266   7.075  -0.022
   70    H    ALA  11           HN       ALA  11   8.581   4.572   0.493
   71    HA   ALA  11           HA       ALA  11   6.249   6.104  -0.232
   72   1HB   ALA  11           HB1      ALA  11   7.724   5.980  -2.389
   73   2HB   ALA  11           HB3      ALA  11   7.160   4.314  -2.468
   74   3HB   ALA  11           HB2      ALA  11   6.002   5.639  -2.516
   75    H    LEU  12           HN       LEU  12   4.445   4.543  -0.992
   76    HA   LEU  12           HA       LEU  12   4.257   2.427   0.947
   77   1HB   LEU  12           HB2      LEU  12   2.580   3.111  -1.476
   78   2HB   LEU  12           HB1      LEU  12   2.161   1.834  -0.340
   79    HG   LEU  12           HG       LEU  12   2.845   4.468   0.862
   80   1HD1  LEU  12          HD12      LEU  12   0.365   3.974  -0.811
   81   2HD1  LEU  12          HD11      LEU  12   0.441   5.217   0.434
   82   3HD1  LEU  12          HD13      LEU  12   1.513   5.301  -0.960
   83   1HD2  LEU  12          HD22      LEU  12   1.988   2.248   1.962
   84   2HD2  LEU  12          HD21      LEU  12   1.297   3.776   2.497
   85   3HD2  LEU  12          HD23      LEU  12   0.414   2.761   1.365
   86    H    SER  13           HN       SER  13   3.106   0.309  -0.481
   87    HA   SER  13           HA       SER  13   5.497  -1.057  -1.340
   88   1HB   SER  13           HB2      SER  13   2.817  -1.783  -0.595
   89   2HB   SER  13           HB1      SER  13   3.259  -2.602  -2.106
   90    HG   SER  13           HG1      SER  13   4.062  -3.277   0.245
   91    HA   PRO  14           HA       PRO  14   5.291  -0.032  -5.686
   92   1HB   PRO  14           HB2      PRO  14   6.301  -2.496  -6.666
   93   2HB   PRO  14           HB1      PRO  14   7.217  -1.018  -6.361
   94   1HG   PRO  14           HG2      PRO  14   7.190  -3.504  -4.799
   95   2HG   PRO  14           HG1      PRO  14   8.278  -2.122  -4.647
   96   1HD   PRO  14           HD1      PRO  14   6.162  -2.826  -2.865
   97   2HD   PRO  14           HD2      PRO  14   7.128  -1.337  -2.847
   98    H    ALA  15           HN       ALA  15   4.336  -3.322  -4.776
   99    HA   ALA  15           HA       ALA  15   2.667  -3.808  -7.061
  100   1HB   ALA  15           HB3      ALA  15   3.335  -5.144  -4.573
  101   2HB   ALA  15           HB2      ALA  15   1.622  -5.317  -4.946
  102   3HB   ALA  15           HB1      ALA  15   2.835  -5.842  -6.111
  103    H    ILE  16           HN       ILE  16   2.264  -1.669  -4.522
  104    HA   ILE  16           HA       ILE  16  -0.400  -1.791  -3.743
  105    HB   ILE  16           HB       ILE  16   1.193  -0.042  -2.998
  106   1HG1  ILE  16          HG12      ILE  16  -1.338   1.099  -4.234
  107   2HG1  ILE  16          HG11      ILE  16  -1.283   0.221  -2.710
  108   1HG2  ILE  16          HG23      ILE  16   1.949   0.356  -5.453
  109   2HG2  ILE  16          HG22      ILE  16   0.559   1.431  -5.554
  110   3HG2  ILE  16          HG21      ILE  16   1.839   1.754  -4.389
  111   1HD1  ILE  16           HD3      ILE  16   0.478   1.937  -1.964
  112   2HD1  ILE  16           HD2      ILE  16   0.002   2.880  -3.371
  113   3HD1  ILE  16           HD1      ILE  16  -1.173   2.529  -2.107
  114    NH1  ARG  17           NH2      ARG  17   2.131   2.593 -12.527
  115    NH2  ARG  17           NH1      ARG  17   0.649   0.959 -13.121
  116    H    ARG  17           HN       ARG  17   0.853  -1.132  -6.895
  117    HA   ARG  17           HA       ARG  17  -1.688  -0.042  -7.901
  118   1HB   ARG  17           HB2      ARG  17   0.800  -0.913  -9.396
  119   2HB   ARG  17           HB1      ARG  17  -0.546  -0.008 -10.080
  120   1HG   ARG  17           HG2      ARG  17  -0.060   1.638  -8.064
  121   2HG   ARG  17           HG1      ARG  17   1.532   0.890  -8.106
  122   1HD   ARG  17           HD2      ARG  17   0.176   2.573 -10.189
  123   2HD   ARG  17           HD1      ARG  17   1.848   2.623  -9.633
  124    HE   ARG  17           HE       ARG  17   1.702   0.164 -10.844
  125   1HH1  ARG  17          HH21      ARG  17   2.696   3.021 -11.822
  126   2HH1  ARG  17          HH22      ARG  17   2.127   2.962 -13.456
  127   1HH2  ARG  17          HH11      ARG  17   0.103   0.163 -12.862
  128   2HH2  ARG  17          HH12      ARG  17   0.619   1.300 -14.061
  129    NH1  ARG  18           NH2      ARG  18   3.575  -6.650 -12.750
  130    NH2  ARG  18           NH1      ARG  18   4.284  -7.420 -10.719
  131    H    ARG  18           HN       ARG  18   0.265  -2.947  -8.562
  132    HA   ARG  18           HA       ARG  18  -1.921  -4.229 -10.000
  133   1HB   ARG  18           HB2      ARG  18   0.587  -5.517  -8.901
  134   2HB   ARG  18           HB1      ARG  18  -0.429  -6.116 -10.206
  135   1HG   ARG  18           HG2      ARG  18   0.093  -3.764 -11.292
  136   2HG   ARG  18           HG1      ARG  18   1.477  -3.792 -10.205
  137   1HD   ARG  18           HD2      ARG  18   0.773  -5.943 -12.235
  138   2HD   ARG  18           HD1      ARG  18   2.089  -4.780 -12.380
  139    HE   ARG  18           HE       ARG  18   2.167  -6.445  -9.954
  140   1HH1  ARG  18          HH21      ARG  18   2.895  -6.153 -13.287
  141   2HH1  ARG  18          HH22      ARG  18   4.374  -7.049 -13.201
  142   1HH2  ARG  18          HH11      ARG  18   4.135  -7.499  -9.732
  143   2HH2  ARG  18          HH12      ARG  18   5.094  -7.832 -11.136
  144    H    LEU  19           HN       LEU  19  -1.820  -3.475  -6.927
  145    HA   LEU  19           HA       LEU  19  -2.343  -6.024  -5.623
  146   1HB   LEU  19           HB2      LEU  19  -1.509  -3.838  -4.539
  147   2HB   LEU  19           HB1      LEU  19  -3.191  -3.323  -4.584
  148    HG   LEU  19           HG       LEU  19  -3.556  -5.763  -3.521
  149   1HD1  LEU  19          HD12      LEU  19  -1.054  -6.181  -3.647
  150   2HD1  LEU  19          HD11      LEU  19  -0.850  -4.911  -2.444
  151   3HD1  LEU  19          HD13      LEU  19  -1.743  -6.373  -2.039
  152   1HD2  LEU  19          HD21      LEU  19  -2.670  -3.250  -2.065
  153   2HD2  LEU  19          HD23      LEU  19  -4.321  -3.705  -2.475
  154   3HD2  LEU  19          HD22      LEU  19  -3.427  -4.628  -1.271
  155    H    LEU  20           HN       LEU  20  -4.352  -3.312  -6.715
  156    HA   LEU  20           HA       LEU  20  -6.866  -4.297  -5.888
  157   1HB   LEU  20           HB2      LEU  20  -6.143  -2.690  -8.352
  158   2HB   LEU  20           HB1      LEU  20  -7.788  -2.926  -7.772
  159    HG   LEU  20           HG       LEU  20  -5.763  -1.954  -5.799
  160   1HD1  LEU  20          HD12      LEU  20  -6.840  -0.371  -8.138
  161   2HD1  LEU  20          HD11      LEU  20  -6.415   0.424  -6.625
  162   3HD1  LEU  20          HD13      LEU  20  -5.187  -0.447  -7.538
  163   1HD2  LEU  20          HD22      LEU  20  -8.169  -2.443  -5.249
  164   2HD2  LEU  20          HD21      LEU  20  -7.715  -0.771  -4.933
  165   3HD2  LEU  20          HD23      LEU  20  -8.642  -1.174  -6.374
  166    H    ALA  21           HN       ALA  21  -4.887  -5.145  -8.646
  167    HA   ALA  21           HA       ALA  21  -7.000  -6.844  -9.799
  168   1HB   ALA  21           HB1      ALA  21  -4.112  -6.374 -10.582
  169   2HB   ALA  21           HB3      ALA  21  -5.219  -7.411 -11.476
  170   3HB   ALA  21           HB2      ALA  21  -5.538  -5.684 -11.351
  171    H    GLU  22           HN       GLU  22  -4.542  -7.107  -7.485
  172    HA   GLU  22           HA       GLU  22  -3.955  -9.936  -7.874
  173   1HB   GLU  22           HB2      GLU  22  -2.404  -8.294  -6.756
  174   2HB   GLU  22           HB1      GLU  22  -3.515  -8.261  -5.392
  175   1HG   GLU  22           HG2      GLU  22  -3.213 -10.646  -5.016
  176   2HG   GLU  22           HG1      GLU  22  -2.256 -10.798  -6.486
  177    H    HIS  23           HN       HIS  23  -6.464  -8.146  -6.418
  178    HA   HIS  23           HA       HIS  23  -7.565 -10.659  -5.236
  179   1HB   HIS  23           HB2      HIS  23  -7.830  -7.952  -3.916
  180   2HB   HIS  23           HB1      HIS  23  -8.258  -9.522  -3.245
  181    HD1  HIS  23           HD1      HIS  23  -5.891 -11.104  -3.475
  182    HD2  HIS  23           HD2      HIS  23  -5.494  -7.122  -2.797
  183    HE1  HIS  23           HE1      HIS  23  -3.669 -10.850  -2.532
  184    H    ASN  24           HN       ASN  24  -7.941  -8.458  -7.533
  185    HA   ASN  24           HA       ASN  24  -9.783  -7.561  -8.698
  186   1HB   ASN  24           HB2      ASN  24 -11.245  -9.939  -7.535
  187   2HB   ASN  24           HB1      ASN  24 -11.564  -9.124  -9.064
  188   1HD2  ASN  24          HD22      ASN  24  -9.010 -12.165  -9.057
  189   2HD2  ASN  24          HD21      ASN  24 -10.156 -11.865  -7.842
  190    H    LEU  25           HN       LEU  25  -9.776  -5.799  -7.054
  191    HA   LEU  25           HA       LEU  25 -12.393  -5.759  -5.612
  192   1HB   LEU  25           HB2      LEU  25  -9.728  -4.792  -4.547
  193   2HB   LEU  25           HB1      LEU  25 -11.273  -4.500  -3.763
  194    HG   LEU  25           HG       LEU  25 -10.165  -7.260  -4.410
  195   1HD1  LEU  25          HD12      LEU  25  -8.837  -6.072  -2.675
  196   2HD1  LEU  25          HD11      LEU  25 -10.313  -5.781  -1.760
  197   3HD1  LEU  25          HD13      LEU  25  -9.730  -7.427  -1.990
  198   1HD2  LEU  25          HD21      LEU  25 -12.740  -6.234  -3.341
  199   2HD2  LEU  25          HD23      LEU  25 -12.388  -7.756  -4.148
  200   3HD2  LEU  25          HD22      LEU  25 -12.036  -7.567  -2.435
  201    H    ASP  26           HN       ASP  26 -13.461  -3.806  -5.637
  202    HA   ASP  26           HA       ASP  26 -12.417  -1.835  -7.586
  203   1HB   ASP  26           HB2      ASP  26 -14.831  -0.856  -7.014
  204   2HB   ASP  26           HB1      ASP  26 -14.632  -2.208  -8.126
  205    H    ALA  27           HN       ALA  27 -11.165  -0.283  -6.766
  206    HA   ALA  27           HA       ALA  27 -10.999   0.473  -4.040
  207   1HB   ALA  27           HB1      ALA  27 -10.077   1.585  -6.624
  208   2HB   ALA  27           HB3      ALA  27 -10.192   2.740  -5.300
  209   3HB   ALA  27           HB2      ALA  27  -9.179   1.309  -5.135
  210    H    SER  28           HN       SER  28 -13.376   1.191  -6.374
  211    HA   SER  28           HA       SER  28 -14.265   3.740  -5.389
  212   1HB   SER  28           HB2      SER  28 -15.710   1.550  -6.914
  213   2HB   SER  28           HB1      SER  28 -16.409   3.147  -6.584
  214    HG   SER  28           HG1      SER  28 -13.922   3.519  -7.376
  215    H    ALA  29           HN       ALA  29 -14.489   0.581  -4.135
  216    HA   ALA  29           HA       ALA  29 -16.854   1.209  -2.467
  217   1HB   ALA  29           HB3      ALA  29 -15.142  -1.285  -2.641
  218   2HB   ALA  29           HB2      ALA  29 -16.609  -1.130  -1.678
  219   3HB   ALA  29           HB1      ALA  29 -16.695  -1.039  -3.434
  220    H    ILE  30           HN       ILE  30 -13.464   1.402  -2.320
  221    HA   ILE  30           HA       ILE  30 -13.410   1.279   0.640
  222    HB   ILE  30           HB       ILE  30 -11.140   1.808  -1.298
  223   1HG1  ILE  30          HG12      ILE  30 -12.102  -0.374  -1.790
  224   2HG1  ILE  30          HG11      ILE  30 -10.588  -0.618  -0.934
  225   1HG2  ILE  30          HG23      ILE  30 -11.358   1.539   1.655
  226   2HG2  ILE  30          HG22      ILE  30 -10.028   0.660   0.914
  227   3HG2  ILE  30          HG21      ILE  30 -10.165   2.400   0.690
  228   1HD1  ILE  30           HD1      ILE  30 -12.129  -0.636   1.213
  229   2HD1  ILE  30           HD3      ILE  30 -13.407  -0.994   0.059
  230   3HD1  ILE  30           HD2      ILE  30 -12.027  -2.075   0.209
  231    H    LYS  31           HN       LYS  31 -13.184   3.042   1.929
  232    HA   LYS  31           HA       LYS  31 -13.577   5.673   0.667
  233   1HB   LYS  31           HB2      LYS  31 -13.372   4.906   3.591
  234   2HB   LYS  31           HB1      LYS  31 -13.879   6.475   2.974
  235   1HG   LYS  31           HG2      LYS  31 -15.764   5.366   1.775
  236   2HG   LYS  31           HG1      LYS  31 -15.275   3.823   2.469
  237   1HD   LYS  31           HD2      LYS  31 -15.393   5.457   4.694
  238   2HD   LYS  31           HD1      LYS  31 -16.728   6.058   3.718
  239   1HE   LYS  31           HE2      LYS  31 -16.264   3.164   4.511
  240   2HE   LYS  31           HE1      LYS  31 -17.502   4.228   5.166
  241   1HZ   LYS  31           HZ3      LYS  31 -18.180   4.470   2.704
  242   2HZ   LYS  31           HZ2      LYS  31 -17.319   3.021   2.494
  243   3HZ   LYS  31           HZ1      LYS  31 -18.638   3.077   3.562
  244    H    GLY  32           HN       GLY  32 -11.642   6.257  -0.275
  245   1HA   GLY  32           HA2      GLY  32  -9.088   5.947   1.049
  246   2HA   GLY  32           HA1      GLY  32  -9.383   6.912  -0.393
  247    H    THR  33           HN       THR  33  -9.423   6.905   3.108
  248    HA   THR  33           HA       THR  33  -9.757   9.874   3.115
  249    HB   THR  33           HB       THR  33 -10.027   9.424   5.677
  250    HG1  THR  33           HG1      THR  33 -10.570   6.847   4.648
  251   1HG2  THR  33          HG23      THR  33 -11.887   8.873   3.456
  252   2HG2  THR  33          HG22      THR  33 -12.266   7.958   4.911
  253   3HG2  THR  33          HG21      THR  33 -12.195   9.717   4.971
  254    H    GLY  34           HN       GLY  34  -7.284   8.599   2.310
  255   1HA   GLY  34           HA2      GLY  34  -5.420   8.755   4.544
  256   2HA   GLY  34           HA1      GLY  34  -4.981   8.581   2.846
  257    H    VAL  35           HN       VAL  35  -3.311  10.178   3.804
  258    HA   VAL  35           HA       VAL  35  -3.981  12.860   4.424
  259    HB   VAL  35           HB       VAL  35  -1.533  11.835   2.960
  260   1HG1  VAL  35          HG11      VAL  35  -2.154  14.418   4.422
  261   2HG1  VAL  35          HG13      VAL  35  -0.513  13.901   4.050
  262   3HG1  VAL  35          HG12      VAL  35  -1.650  14.233   2.745
  263   1HG2  VAL  35          HG23      VAL  35  -2.456  11.226   5.529
  264   2HG2  VAL  35          HG22      VAL  35  -0.800  11.049   4.958
  265   3HG2  VAL  35          HG21      VAL  35  -1.290  12.519   5.792
  266    H    GLY  36           HN       GLY  36  -4.963  14.362   3.233
  267   1HA   GLY  36           HA2      GLY  36  -5.257  15.753   1.306
  268   2HA   GLY  36           HA1      GLY  36  -4.352  14.580   0.353
  269    H    GLY  37           HN       GLY  37  -6.253  12.572   1.858
  270   1HA   GLY  37           HA2      GLY  37  -8.526  11.837   1.561
  271   2HA   GLY  37           HA1      GLY  37  -8.742  13.088   0.339
  272    NH1  ARG  38           NH2      ARG  38  -4.903  11.645  -6.160
  273    NH2  ARG  38           NH1      ARG  38  -4.145  13.644  -5.356
  274    H    ARG  38           HN       ARG  38  -5.843  11.353   0.024
  275    HA   ARG  38           HA       ARG  38  -6.794  10.133  -2.465
  276   1HB   ARG  38           HB2      ARG  38  -4.192  10.634  -1.163
  277   2HB   ARG  38           HB1      ARG  38  -4.267   9.157  -2.118
  278   1HG   ARG  38           HG2      ARG  38  -5.057  10.410  -4.066
  279   2HG   ARG  38           HG1      ARG  38  -5.130  11.892  -3.120
  280   1HD   ARG  38           HD2      ARG  38  -2.742  11.952  -2.862
  281   2HD   ARG  38           HD1      ARG  38  -2.568  10.306  -3.467
  282    HE   ARG  38           HE       ARG  38  -2.178  11.636  -5.444
  283   1HH1  ARG  38          HH21      ARG  38  -4.784  10.656  -6.246
  284   2HH1  ARG  38          HH22      ARG  38  -5.690  12.092  -6.587
  285   1HH2  ARG  38          HH11      ARG  38  -3.458  14.154  -4.840
  286   2HH2  ARG  38          HH12      ARG  38  -4.918  14.126  -5.769
  287    H    LEU  39           HN       LEU  39  -6.211   7.804  -2.906
  288    HA   LEU  39           HA       LEU  39  -7.169   6.168  -0.620
  289   1HB   LEU  39           HB2      LEU  39  -8.438   5.839  -2.636
  290   2HB   LEU  39           HB1      LEU  39  -6.978   5.643  -3.595
  291    HG   LEU  39           HG       LEU  39  -6.475   3.522  -2.541
  292   1HD1  LEU  39          HD11      LEU  39  -8.666   4.356  -0.629
  293   2HD1  LEU  39          HD13      LEU  39  -8.195   2.667  -0.794
  294   3HD1  LEU  39          HD12      LEU  39  -7.019   3.860  -0.251
  295   1HD2  LEU  39          HD22      LEU  39  -9.445   3.735  -3.135
  296   2HD2  LEU  39          HD21      LEU  39  -8.175   3.430  -4.315
  297   3HD2  LEU  39          HD23      LEU  39  -8.532   2.231  -3.076
  298    H    THR  40           HN       THR  40  -5.398   5.731   0.626
  299    HA   THR  40           HA       THR  40  -2.911   4.793  -0.674
  300    HB   THR  40           HB       THR  40  -1.934   4.948   1.596
  301    HG1  THR  40           HG1      THR  40  -4.667   4.870   2.098
  302   1HG2  THR  40          HG22      THR  40  -2.351   7.140   0.365
  303   2HG2  THR  40          HG21      THR  40  -3.891   7.245   1.213
  304   3HG2  THR  40          HG23      THR  40  -2.380   7.294   2.119
  305    NH1  ARG  41           NH2      ARG  41   1.537  -2.887   3.511
  306    NH2  ARG  41           NH1      ARG  41   1.166  -1.402   5.207
  307    H    ARG  41           HN       ARG  41  -2.036   3.071   1.379
  308    HA   ARG  41           HA       ARG  41  -3.635   0.673   0.694
  309   1HB   ARG  41           HB2      ARG  41  -1.221   0.527   0.367
  310   2HB   ARG  41           HB1      ARG  41  -0.942   0.979   2.044
  311   1HG   ARG  41           HG2      ARG  41  -2.786  -1.288   1.765
  312   2HG   ARG  41           HG1      ARG  41  -1.185  -1.619   1.109
  313   1HD   ARG  41           HD2      ARG  41  -1.597  -0.386   3.848
  314   2HD   ARG  41           HD1      ARG  41  -1.476  -2.128   3.599
  315    HE   ARG  41           HE       ARG  41   0.721  -0.431   2.545
  316   1HH1  ARG  41          HH21      ARG  41   1.392  -3.152   2.557
  317   2HH1  ARG  41          HH22      ARG  41   2.089  -3.465   4.111
  318   1HH2  ARG  41          HH11      ARG  41   0.742  -0.553   5.525
  319   2HH2  ARG  41          HH12      ARG  41   1.712  -1.955   5.836
  320    H    GLU  42           HN       GLU  42  -2.782   2.675   3.416
  321    HA   GLU  42           HA       GLU  42  -3.457   0.964   5.560
  322   1HB   GLU  42           HB2      GLU  42  -2.470   3.288   5.723
  323   2HB   GLU  42           HB1      GLU  42  -4.087   3.920   5.438
  324   1HG   GLU  42           HG2      GLU  42  -4.482   2.012   7.431
  325   2HG   GLU  42           HG1      GLU  42  -2.953   2.765   7.880
  326    H    ASP  43           HN       ASP  43  -5.494   2.751   3.349
  327    HA   ASP  43           HA       ASP  43  -7.947   2.338   4.849
  328   1HB   ASP  43           HB2      ASP  43  -7.611   2.949   1.899
  329   2HB   ASP  43           HB1      ASP  43  -9.066   3.194   2.862
  330    H    VAL  44           HN       VAL  44  -6.453   0.779   2.038
  331    HA   VAL  44           HA       VAL  44  -8.539  -1.147   1.620
  332    HB   VAL  44           HB       VAL  44  -5.614  -1.571   0.989
  333   1HG1  VAL  44          HG11      VAL  44  -7.390  -3.391   0.637
  334   2HG1  VAL  44          HG13      VAL  44  -8.092  -2.329  -0.580
  335   3HG1  VAL  44          HG12      VAL  44  -6.455  -2.943  -0.788
  336   1HG2  VAL  44          HG22      VAL  44  -7.690   0.071  -0.503
  337   2HG2  VAL  44          HG21      VAL  44  -6.218   0.685   0.244
  338   3HG2  VAL  44          HG23      VAL  44  -6.117  -0.380  -1.155
  339    H    GLU  45           HN       GLU  45  -5.822  -1.003   3.789
  340    HA   GLU  45           HA       GLU  45  -5.439  -3.679   4.497
  341   1HB   GLU  45           HB2      GLU  45  -4.421  -1.416   5.436
  342   2HB   GLU  45           HB1      GLU  45  -5.628  -1.658   6.693
  343   1HG   GLU  45           HG2      GLU  45  -4.701  -4.108   6.766
  344   2HG   GLU  45           HG1      GLU  45  -3.296  -3.420   5.954
  345    H    LYS  46           HN       LYS  46  -7.883  -1.444   5.784
  346    HA   LYS  46           HA       LYS  46  -9.113  -3.485   7.449
  347   1HB   LYS  46           HB2      LYS  46  -9.176  -0.842   7.608
  348   2HB   LYS  46           HB1      LYS  46 -10.597  -1.035   6.588
  349   1HG   LYS  46           HG2      LYS  46 -11.512  -2.675   8.242
  350   2HG   LYS  46           HG1      LYS  46 -10.125  -2.361   9.279
  351   1HD   LYS  46           HD2      LYS  46 -10.925   0.184   8.841
  352   2HD   LYS  46           HD1      LYS  46 -12.478  -0.631   8.682
  353   1HE   LYS  46           HE2      LYS  46 -12.359  -0.196  10.993
  354   2HE   LYS  46           HE1      LYS  46 -11.791  -1.858  10.885
  355   1HZ   LYS  46           HZ3      LYS  46  -9.498  -0.936  10.789
  356   2HZ   LYS  46           HZ2      LYS  46 -10.147   0.592  11.147
  357   3HZ   LYS  46           HZ1      LYS  46 -10.302  -0.678  12.263
  358    H    HIS  47           HN       HIS  47  -8.847  -4.340   4.756
  359    HA   HIS  47           HA       HIS  47 -11.699  -4.902   4.177
  360   1HB   HIS  47           HB2      HIS  47 -10.612  -2.913   2.779
  361   2HB   HIS  47           HB1      HIS  47  -9.960  -4.251   1.836
  362    HD1  HIS  47           HD1      HIS  47 -13.265  -3.064   3.020
  363    HD2  HIS  47           HD2      HIS  47 -11.729  -5.387   0.069
  364    HE1  HIS  47           HE1      HIS  47 -15.158  -3.601   1.599
  365    H    LEU  48           HN       LEU  48  -8.333  -5.496   3.245
  366    HA   LEU  48           HA       LEU  48  -8.902  -8.088   2.074
  367   1HB   LEU  48           HB2      LEU  48  -6.305  -6.844   3.013
  368   2HB   LEU  48           HB1      LEU  48  -6.420  -8.341   2.095
  369    HG   LEU  48           HG       LEU  48  -7.892  -6.011   0.976
  370   1HD1  LEU  48          HD13      LEU  48  -4.860  -6.213   0.982
  371   2HD1  LEU  48          HD12      LEU  48  -5.786  -5.130  -0.053
  372   3HD1  LEU  48          HD11      LEU  48  -5.818  -4.918   1.694
  373   1HD2  LEU  48          HD23      LEU  48  -7.725  -8.296  -0.076
  374   2HD2  LEU  48          HD22      LEU  48  -7.132  -7.003  -1.114
  375   3HD2  LEU  48          HD21      LEU  48  -5.993  -8.035  -0.257
  376    H    ALA  49           HN       ALA  49  -7.139  -7.161   5.029
  377    HA   ALA  49           HA       ALA  49  -6.968  -9.794   6.100
  378   1HB   ALA  49           HB2      ALA  49  -5.909  -7.449   6.836
  379   2HB   ALA  49           HB1      ALA  49  -7.250  -7.496   7.976
  380   3HB   ALA  49           HB3      ALA  49  -6.059  -8.792   7.964
  381    H    LYS  50           HN       LYS  50  -8.038  -9.593   8.673
  382    HA   LYS  50           HA       LYS  50 -10.561 -10.730   8.451
  383   1HB   LYS  50           HB2      LYS  50  -9.550  -8.949  10.683
  384   2HB   LYS  50           HB1      LYS  50 -10.943 -10.018  10.807
  385   1HG   LYS  50           HG2      LYS  50  -9.645 -11.932  10.820
  386   2HG   LYS  50           HG1      LYS  50  -8.391 -11.215   9.815
  387   1HD   LYS  50           HD2      LYS  50  -7.609 -11.544  12.151
  388   2HD   LYS  50           HD1      LYS  50  -7.632  -9.840  11.713
  389   1HE   LYS  50           HE2      LYS  50  -9.553  -9.404  12.995
  390   2HE   LYS  50           HE1      LYS  50 -10.050 -11.092  13.000
  391   1HZ   LYS  50           HZ2      LYS  50  -7.518 -10.871  14.196
  392   2HZ   LYS  50           HZ1      LYS  50  -8.564  -9.744  14.918
  393   3HZ   LYS  50           HZ3      LYS  50  -8.980 -11.391  14.887
  394    H    ALA  51           HN       ALA  51 -10.427  -7.519   9.908
  395    HA   ALA  51           HA       ALA  51 -13.025  -6.725   9.320
  396   1HB   ALA  51           HB3      ALA  51 -11.246  -5.471  10.670
  397   2HB   ALA  51           HB2      ALA  51 -10.700  -4.806   9.134
  398   3HB   ALA  51           HB1      ALA  51 -12.334  -4.478   9.703
   
 Raw file had 398 H/Q atoms
  Start of MODEL   11
    1    OH   TYR   1           OH       TYR   1  16.179  17.074 -21.757
    2   1H    TYR   1           HT3      TYR   1  18.988  12.934 -20.366
    3   2H    TYR   1           HT2      TYR   1  20.587  13.176 -19.848
    4   3H    TYR   1           HT1      TYR   1  19.954  11.603 -19.942
    5    HA   TYR   1           HA       TYR   1  19.953  12.185 -17.669
    6   1HB   TYR   1           HB2      TYR   1  18.675  14.237 -16.927
    7   2HB   TYR   1           HB1      TYR   1  20.159  14.588 -17.808
    8    HD1  TYR   1           HD1      TYR   1  16.477  14.527 -18.027
    9    HD2  TYR   1           HD2      TYR   1  20.080  15.537 -20.049
   10    HE1  TYR   1           HE1      TYR   1  15.189  15.781 -19.694
   11    HE2  TYR   1           HE2      TYR   1  18.792  16.791 -21.717
   12    HH   TYR   1           HH       TYR   1  15.372  17.382 -21.338
   13    H    ALA   2           HN       ALA   2  17.822  11.724 -20.148
   14    HA   ALA   2           HA       ALA   2  15.440  11.365 -18.428
   15   1HB   ALA   2           HB1      ALA   2  15.870  11.021 -21.405
   16   2HB   ALA   2           HB3      ALA   2  14.333  10.738 -20.595
   17   3HB   ALA   2           HB2      ALA   2  15.040  12.351 -20.605
   18    H    SER   3           HN       SER   3  16.871   9.678 -17.275
   19    HA   SER   3           HA       SER   3  16.887   7.071 -18.699
   20   1HB   SER   3           HB2      SER   3  18.037   6.388 -16.430
   21   2HB   SER   3           HB1      SER   3  18.948   7.392 -17.575
   22    HG   SER   3           HG1      SER   3  17.190   8.735 -15.915
   23    H    LEU   4           HN       LEU   4  14.881   6.193 -18.650
   24    HA   LEU   4           HA       LEU   4  13.208   6.403 -16.240
   25   1HB   LEU   4           HB2      LEU   4  12.856   5.336 -19.012
   26   2HB   LEU   4           HB1      LEU   4  11.782   4.751 -17.748
   27    HG   LEU   4           HG       LEU   4  11.152   7.062 -17.182
   28   1HD1  LEU   4          HD13      LEU   4  13.187   7.711 -19.331
   29   2HD1  LEU   4          HD12      LEU   4  11.968   8.869 -18.810
   30   3HD1  LEU   4          HD11      LEU   4  13.165   8.274 -17.663
   31   1HD2  LEU   4          HD22      LEU   4  10.424   5.664 -19.467
   32   2HD2  LEU   4          HD21      LEU   4   9.602   7.093 -18.847
   33   3HD2  LEU   4          HD23      LEU   4  10.833   7.256 -20.096
   34    H    GLU   5           HN       GLU   5  15.829   4.701 -16.713
   35    HA   GLU   5           HA       GLU   5  14.795   2.047 -15.912
   36   1HB   GLU   5           HB2      GLU   5  17.249   3.083 -17.103
   37   2HB   GLU   5           HB1      GLU   5  17.573   1.957 -15.790
   38   1HG   GLU   5           HG2      GLU   5  17.337   0.768 -17.958
   39   2HG   GLU   5           HG1      GLU   5  16.067   0.297 -16.832
   40    H    GLU   6           HN       GLU   6  16.760   4.683 -14.625
   41    HA   GLU   6           HA       GLU   6  17.586   3.532 -12.195
   42   1HB   GLU   6           HB2      GLU   6  18.098   5.869 -13.164
   43   2HB   GLU   6           HB1      GLU   6  16.616   6.380 -12.366
   44   1HG   GLU   6           HG2      GLU   6  17.650   5.172 -10.268
   45   2HG   GLU   6           HG1      GLU   6  19.171   5.367 -11.136
   46    H    GLN   7           HN       GLN   7  16.650   3.225 -10.208
   47    HA   GLN   7           HA       GLN   7  13.820   2.804 -10.096
   48   1HB   GLN   7           HB2      GLN   7  16.015   2.881  -8.046
   49   2HB   GLN   7           HB1      GLN   7  14.336   2.751  -7.533
   50   1HG   GLN   7           HG2      GLN   7  15.647   0.543  -7.962
   51   2HG   GLN   7           HG1      GLN   7  14.032   0.683  -8.652
   52   1HE2  GLN   7          HE22      GLN   7  17.245   1.103 -11.199
   53   2HE2  GLN   7          HE21      GLN   7  17.399   1.608  -9.585
   54    H    ASN   8           HN       ASN   8  12.173   4.034  -9.268
   55    HA   ASN   8           HA       ASN   8  12.787   6.910  -8.889
   56   1HB   ASN   8           HB2      ASN   8  10.009   6.498  -8.693
   57   2HB   ASN   8           HB1      ASN   8  10.891   7.112 -10.089
   58   1HD2  ASN   8          HD22      ASN   8  11.061   3.817 -11.639
   59   2HD2  ASN   8          HD21      ASN   8  12.050   5.167 -11.359
   60    H    ASN   9           HN       ASN   9  11.724   8.081  -7.124
   61    HA   ASN   9           HA       ASN   9  11.950   6.562  -4.612
   62   1HB   ASN   9           HB2      ASN   9  11.257   9.043  -3.803
   63   2HB   ASN   9           HB1      ASN   9  12.912   8.607  -4.220
   64   1HD2  ASN   9          HD22      ASN   9  10.709  10.713  -6.993
   65   2HD2  ASN   9          HD21      ASN   9   9.907   9.673  -5.917
   66    H    ASP  10           HN       ASP  10  10.284   5.983  -3.314
   67    HA   ASP  10           HA       ASP  10   7.659   7.198  -3.469
   68   1HB   ASP  10           HB2      ASP  10   8.123   5.354  -5.462
   69   2HB   ASP  10           HB1      ASP  10   7.354   4.374  -4.217
   70    H    ALA  11           HN       ALA  11   7.035   7.118  -1.410
   71    HA   ALA  11           HA       ALA  11   8.170   5.452   0.583
   72   1HB   ALA  11           HB3      ALA  11   5.740   7.170   0.394
   73   2HB   ALA  11           HB2      ALA  11   5.824   6.027   1.731
   74   3HB   ALA  11           HB1      ALA  11   7.079   7.245   1.534
   75    H    LEU  12           HN       LEU  12   5.429   4.952  -1.537
   76    HA   LEU  12           HA       LEU  12   4.636   2.482  -0.144
   77   1HB   LEU  12           HB2      LEU  12   3.587   3.224  -2.846
   78   2HB   LEU  12           HB1      LEU  12   2.746   2.491  -1.487
   79    HG   LEU  12           HG       LEU  12   3.649   5.383  -1.703
   80   1HD1  LEU  12          HD12      LEU  12   1.560   4.695  -2.934
   81   2HD1  LEU  12          HD11      LEU  12   0.882   4.173  -1.395
   82   3HD1  LEU  12          HD13      LEU  12   1.266   5.871  -1.657
   83   1HD2  LEU  12          HD21      LEU  12   2.764   3.688   0.600
   84   2HD2  LEU  12          HD23      LEU  12   3.898   5.036   0.578
   85   3HD2  LEU  12          HD22      LEU  12   2.165   5.342   0.528
   86    H    SER  13           HN       SER  13   4.256   0.517  -1.677
   87    HA   SER  13           HA       SER  13   6.861  -0.025  -2.924
   88   1HB   SER  13           HB2      SER  13   5.253  -1.576  -1.349
   89   2HB   SER  13           HB1      SER  13   4.853  -2.180  -2.968
   90    HG   SER  13           HG1      SER  13   6.763  -3.028  -3.043
   91    HA   PRO  14           HA       PRO  14   5.372   0.533  -7.088
   92   1HB   PRO  14           HB2      PRO  14   6.802  -1.648  -8.242
   93   2HB   PRO  14           HB1      PRO  14   7.260   0.057  -8.246
   94   1HG   PRO  14           HG2      PRO  14   8.405  -2.127  -6.666
   95   2HG   PRO  14           HG1      PRO  14   8.985  -0.468  -6.819
   96   1HD   PRO  14           HD1      PRO  14   7.694  -1.618  -4.546
   97   2HD   PRO  14           HD2      PRO  14   8.102   0.089  -4.797
   98    H    ALA  15           HN       ALA  15   5.141  -2.443  -5.383
   99    HA   ALA  15           HA       ALA  15   3.493  -3.815  -7.368
  100   1HB   ALA  15           HB1      ALA  15   4.335  -4.381  -4.541
  101   2HB   ALA  15           HB3      ALA  15   3.060  -5.337  -5.291
  102   3HB   ALA  15           HB2      ALA  15   4.671  -5.306  -6.002
  103    H    ILE  16           HN       ILE  16   2.932  -1.420  -5.032
  104    HA   ILE  16           HA       ILE  16   0.371  -2.031  -4.039
  105    HB   ILE  16           HB       ILE  16   1.863   0.023  -3.548
  106   1HG1  ILE  16          HG12      ILE  16  -1.149   0.157  -3.898
  107   2HG1  ILE  16          HG11      ILE  16  -0.259  -0.231  -2.430
  108   1HG2  ILE  16          HG22      ILE  16   1.756   0.635  -6.078
  109   2HG2  ILE  16          HG21      ILE  16   0.170   1.298  -5.697
  110   3HG2  ILE  16          HG23      ILE  16   1.606   1.939  -4.906
  111   1HD1  ILE  16           HD2      ILE  16   0.795   2.142  -2.722
  112   2HD1  ILE  16           HD1      ILE  16  -0.569   2.444  -3.792
  113   3HD1  ILE  16           HD3      ILE  16  -0.848   2.030  -2.103
  114    NH1  ARG  17           NH1      ARG  17  -0.707   2.818 -12.194
  115    NH2  ARG  17           NH2      ARG  17   0.341   4.631 -11.281
  116    H    ARG  17           HN       ARG  17   1.330  -0.915  -7.209
  117    HA   ARG  17           HA       ARG  17  -1.355  -0.283  -8.110
  118   1HB   ARG  17           HB2      ARG  17   0.915  -1.051  -9.932
  119   2HB   ARG  17           HB1      ARG  17  -0.384   0.102 -10.222
  120   1HG   ARG  17           HG2      ARG  17   0.680   1.279  -8.069
  121   2HG   ARG  17           HG1      ARG  17   2.120   0.429  -8.617
  122   1HD   ARG  17           HD2      ARG  17   2.214   2.513  -9.756
  123   2HD   ARG  17           HD1      ARG  17   1.562   1.402 -10.959
  124    HE   ARG  17           HE       ARG  17  -0.492   2.759  -9.373
  125   1HH1  ARG  17          HH11      ARG  17  -1.012   1.870 -12.104
  126   2HH1  ARG  17          HH12      ARG  17  -0.885   3.323 -13.040
  127   1HH2  ARG  17          HH21      ARG  17   0.822   5.042 -10.506
  128   2HH2  ARG  17          HH22      ARG  17   0.181   5.166 -12.110
  129    NH1  ARG  18           NH1      ARG  18   4.845  -3.371 -10.053
  130    NH2  ARG  18           NH2      ARG  18   5.778  -5.332 -10.766
  131    H    ARG  18           HN       ARG  18   0.507  -3.173  -7.825
  132    HA   ARG  18           HA       ARG  18  -1.323  -4.662  -9.625
  133   1HB   ARG  18           HB2      ARG  18   1.043  -5.724  -8.067
  134   2HB   ARG  18           HB1      ARG  18   0.229  -6.495  -9.423
  135   1HG   ARG  18           HG2      ARG  18   0.903  -4.599 -10.886
  136   2HG   ARG  18           HG1      ARG  18   1.755  -3.871  -9.528
  137   1HD   ARG  18           HD2      ARG  18   3.154  -5.943  -9.349
  138   2HD   ARG  18           HD1      ARG  18   2.354  -6.570 -10.789
  139    HE   ARG  18           HE       ARG  18   3.357  -4.677 -12.052
  140   1HH1  ARG  18          HH11      ARG  18   4.039  -2.784  -9.978
  141   2HH1  ARG  18          HH12      ARG  18   5.721  -3.070  -9.674
  142   1HH2  ARG  18          HH21      ARG  18   5.671  -6.213 -11.226
  143   2HH2  ARG  18          HH22      ARG  18   6.668  -5.063 -10.399
  144    H    LEU  19           HN       LEU  19  -1.015  -3.857  -6.365
  145    HA   LEU  19           HA       LEU  19  -1.935  -6.219  -5.068
  146   1HB   LEU  19           HB2      LEU  19  -1.048  -4.098  -3.978
  147   2HB   LEU  19           HB1      LEU  19  -2.638  -3.395  -4.248
  148    HG   LEU  19           HG       LEU  19  -3.378  -5.742  -3.114
  149   1HD1  LEU  19          HD13      LEU  19  -0.898  -6.305  -2.859
  150   2HD1  LEU  19          HD12      LEU  19  -0.810  -4.998  -1.682
  151   3HD1  LEU  19          HD11      LEU  19  -1.845  -6.390  -1.378
  152   1HD2  LEU  19          HD21      LEU  19  -2.472  -3.241  -1.644
  153   2HD2  LEU  19          HD23      LEU  19  -4.056  -3.487  -2.374
  154   3HD2  LEU  19          HD22      LEU  19  -3.562  -4.459  -0.991
  155    H    LEU  20           HN       LEU  20  -3.733  -3.479  -6.427
  156    HA   LEU  20           HA       LEU  20  -6.340  -4.332  -5.710
  157   1HB   LEU  20           HB2      LEU  20  -5.271  -2.681  -7.990
  158   2HB   LEU  20           HB1      LEU  20  -6.987  -3.050  -7.875
  159    HG   LEU  20           HG       LEU  20  -5.686  -2.085  -5.378
  160   1HD1  LEU  20          HD11      LEU  20  -5.989  -0.440  -7.888
  161   2HD1  LEU  20          HD13      LEU  20  -6.153   0.315  -6.306
  162   3HD1  LEU  20          HD12      LEU  20  -4.644  -0.475  -6.752
  163   1HD2  LEU  20          HD22      LEU  20  -8.189  -2.656  -5.887
  164   2HD2  LEU  20          HD21      LEU  20  -7.832  -1.195  -4.972
  165   3HD2  LEU  20          HD23      LEU  20  -8.213  -1.088  -6.689
  166    H    ALA  21           HN       ALA  21  -4.349  -5.150  -8.512
  167    HA   ALA  21           HA       ALA  21  -6.430  -6.841  -9.683
  168   1HB   ALA  21           HB2      ALA  21  -4.434  -5.564 -10.846
  169   2HB   ALA  21           HB1      ALA  21  -3.542  -7.034 -10.462
  170   3HB   ALA  21           HB3      ALA  21  -4.976  -7.116 -11.480
  171    H    GLU  22           HN       GLU  22  -4.620  -7.216  -7.018
  172    HA   GLU  22           HA       GLU  22  -3.995 -10.088  -7.461
  173   1HB   GLU  22           HB2      GLU  22  -2.349  -8.477  -6.368
  174   2HB   GLU  22           HB1      GLU  22  -3.433  -8.458  -4.982
  175   1HG   GLU  22           HG2      GLU  22  -3.233 -10.902  -4.765
  176   2HG   GLU  22           HG1      GLU  22  -2.199 -10.958  -6.191
  177    H    HIS  23           HN       HIS  23  -6.340  -8.054  -6.026
  178    HA   HIS  23           HA       HIS  23  -7.637 -10.446  -4.787
  179   1HB   HIS  23           HB2      HIS  23  -7.683  -7.692  -3.540
  180   2HB   HIS  23           HB1      HIS  23  -8.240  -9.204  -2.829
  181    HD1  HIS  23           HD1      HIS  23  -6.006 -10.981  -3.029
  182    HD2  HIS  23           HD2      HIS  23  -5.289  -7.032  -2.425
  183    HE1  HIS  23           HE1      HIS  23  -3.773 -10.889  -2.083
  184    H    ASN  24           HN       ASN  24  -7.843  -7.948  -6.954
  185    HA   ASN  24           HA       ASN  24  -9.635  -6.899  -8.066
  186   1HB   ASN  24           HB2      ASN  24 -11.545  -9.062  -7.633
  187   2HB   ASN  24           HB1      ASN  24 -10.792  -8.520  -9.129
  188   1HD2  ASN  24          HD22      ASN  24  -8.241 -10.978  -9.058
  189   2HD2  ASN  24          HD21      ASN  24  -8.812  -9.564  -9.803
  190    H    LEU  25           HN       LEU  25 -10.268  -5.196  -6.795
  191    HA   LEU  25           HA       LEU  25 -12.690  -5.665  -5.133
  192   1HB   LEU  25           HB2      LEU  25 -10.070  -4.580  -4.209
  193   2HB   LEU  25           HB1      LEU  25 -11.528  -3.828  -3.571
  194    HG   LEU  25           HG       LEU  25 -11.243  -6.835  -3.602
  195   1HD1  LEU  25          HD13      LEU  25 -10.127  -4.862  -1.591
  196   2HD1  LEU  25          HD12      LEU  25 -10.450  -6.546  -1.188
  197   3HD1  LEU  25          HD11      LEU  25  -9.264  -6.148  -2.427
  198   1HD2  LEU  25          HD23      LEU  25 -13.327  -5.166  -2.944
  199   2HD2  LEU  25          HD22      LEU  25 -13.116  -6.786  -2.293
  200   3HD2  LEU  25          HD21      LEU  25 -12.554  -5.391  -1.379
  201    H    ASP  26           HN       ASP  26 -13.940  -3.721  -4.765
  202    HA   ASP  26           HA       ASP  26 -13.675  -1.838  -7.037
  203   1HB   ASP  26           HB2      ASP  26 -15.877  -2.563  -5.128
  204   2HB   ASP  26           HB1      ASP  26 -15.955  -1.043  -6.016
  205    H    ALA  27           HN       ALA  27 -12.067  -0.411  -6.446
  206    HA   ALA  27           HA       ALA  27 -11.726   0.724  -3.853
  207   1HB   ALA  27           HB1      ALA  27 -10.853   1.460  -6.617
  208   2HB   ALA  27           HB3      ALA  27 -10.666   2.656  -5.338
  209   3HB   ALA  27           HB2      ALA  27  -9.876   1.088  -5.201
  210    H    SER  28           HN       SER  28 -13.641   1.757  -6.630
  211    HA   SER  28           HA       SER  28 -14.419   4.319  -5.786
  212   1HB   SER  28           HB2      SER  28 -16.155   2.244  -7.175
  213   2HB   SER  28           HB1      SER  28 -16.441   3.995  -7.159
  214    HG   SER  28           HG1      SER  28 -15.181   3.201  -8.984
  215    H    ALA  29           HN       ALA  29 -15.106   1.299  -4.360
  216    HA   ALA  29           HA       ALA  29 -17.476   2.303  -2.906
  217   1HB   ALA  29           HB3      ALA  29 -16.424  -0.279  -3.602
  218   2HB   ALA  29           HB2      ALA  29 -16.630  -0.191  -1.855
  219   3HB   ALA  29           HB1      ALA  29 -17.998   0.116  -2.920
  220    H    ILE  30           HN       ILE  30 -14.273   0.977  -2.084
  221    HA   ILE  30           HA       ILE  30 -14.374   1.537   0.692
  222    HB   ILE  30           HB       ILE  30 -11.949   1.603  -1.122
  223   1HG1  ILE  30          HG12      ILE  30 -13.488  -0.515  -1.081
  224   2HG1  ILE  30          HG11      ILE  30 -11.757  -0.729  -0.882
  225   1HG2  ILE  30          HG22      ILE  30 -12.262   1.330   1.880
  226   2HG2  ILE  30          HG21      ILE  30 -10.775   0.924   1.026
  227   3HG2  ILE  30          HG23      ILE  30 -11.385   2.573   0.999
  228   1HD1  ILE  30           HD3      ILE  30 -13.659  -0.489   1.473
  229   2HD1  ILE  30           HD2      ILE  30 -13.194  -2.025   0.767
  230   3HD1  ILE  30           HD1      ILE  30 -11.978  -0.996   1.507
  231    H    LYS  31           HN       LYS  31 -13.419   3.258   1.911
  232    HA   LYS  31           HA       LYS  31 -13.881   5.876   0.662
  233   1HB   LYS  31           HB2      LYS  31 -14.301   4.953   3.179
  234   2HB   LYS  31           HB1      LYS  31 -12.743   5.745   3.392
  235   1HG   LYS  31           HG2      LYS  31 -13.683   7.800   2.323
  236   2HG   LYS  31           HG1      LYS  31 -15.249   7.003   2.224
  237   1HD   LYS  31           HD2      LYS  31 -14.956   6.609   4.786
  238   2HD   LYS  31           HD1      LYS  31 -13.732   7.869   4.684
  239   1HE   LYS  31           HE2      LYS  31 -15.522   9.270   3.462
  240   2HE   LYS  31           HE1      LYS  31 -16.679   8.074   4.032
  241   1HZ   LYS  31           HZ2      LYS  31 -14.979   8.914   6.138
  242   2HZ   LYS  31           HZ1      LYS  31 -15.732  10.252   5.412
  243   3HZ   LYS  31           HZ3      LYS  31 -16.672   8.981   6.030
  244    H    GLY  32           HN       GLY  32 -12.263   6.509  -0.663
  245   1HA   GLY  32           HA2      GLY  32  -9.462   5.934  -0.033
  246   2HA   GLY  32           HA1      GLY  32 -10.041   6.849  -1.424
  247    H    THR  33           HN       THR  33 -11.040   7.603   1.831
  248    HA   THR  33           HA       THR  33 -10.051  10.329   1.559
  249    HB   THR  33           HB       THR  33 -10.854  10.293   4.121
  250    HG1  THR  33           HG1      THR  33 -10.998   8.075   4.262
  251   1HG2  THR  33          HG23      THR  33 -12.444  10.184   1.576
  252   2HG2  THR  33          HG22      THR  33 -13.321  10.031   3.095
  253   3HG2  THR  33          HG21      THR  33 -12.364  11.473   2.772
  254    H    GLY  34           HN       GLY  34  -8.056   8.181   1.523
  255   1HA   GLY  34           HA2      GLY  34  -6.640   7.979   3.978
  256   2HA   GLY  34           HA1      GLY  34  -5.910   7.799   2.388
  257    H    VAL  35           HN       VAL  35  -4.267   8.909   4.062
  258    HA   VAL  35           HA       VAL  35  -4.425  11.653   4.664
  259    HB   VAL  35           HB       VAL  35  -2.092   9.870   3.982
  260   1HG1  VAL  35          HG11      VAL  35  -2.162  12.836   4.529
  261   2HG1  VAL  35          HG13      VAL  35  -0.769  11.874   5.012
  262   3HG1  VAL  35          HG12      VAL  35  -1.231  11.965   3.315
  263   1HG2  VAL  35          HG23      VAL  35  -3.609  10.011   6.218
  264   2HG2  VAL  35          HG22      VAL  35  -1.888   9.640   6.266
  265   3HG2  VAL  35          HG21      VAL  35  -2.445  11.280   6.583
  266    H    GLY  36           HN       GLY  36  -4.781  13.324   3.355
  267   1HA   GLY  36           HA2      GLY  36  -4.301  14.804   1.549
  268   2HA   GLY  36           HA1      GLY  36  -3.272  13.561   0.841
  269    H    GLY  37           HN       GLY  37  -6.307  12.421   1.831
  270   1HA   GLY  37           HA2      GLY  37  -8.219  11.765   0.635
  271   2HA   GLY  37           HA1      GLY  37  -7.895  13.108  -0.456
  272    NH1  ARG  38           NH2      ARG  38  -1.667   8.211  -2.495
  273    NH2  ARG  38           NH1      ARG  38  -1.187   9.225  -0.503
  274    H    ARG  38           HN       ARG  38  -6.427   9.959   0.350
  275    HA   ARG  38           HA       ARG  38  -6.510   9.258  -2.530
  276   1HB   ARG  38           HB2      ARG  38  -3.989   9.309  -0.850
  277   2HB   ARG  38           HB1      ARG  38  -4.107   8.506  -2.408
  278   1HG   ARG  38           HG2      ARG  38  -5.028  10.872  -3.207
  279   2HG   ARG  38           HG1      ARG  38  -4.186  11.451  -1.776
  280   1HD   ARG  38           HD2      ARG  38  -2.897   9.752  -3.948
  281   2HD   ARG  38           HD1      ARG  38  -2.757  11.503  -3.838
  282    HE   ARG  38           HE       ARG  38  -1.228  11.221  -2.058
  283   1HH1  ARG  38          HH21      ARG  38  -1.939   8.292  -3.454
  284   2HH1  ARG  38          HH22      ARG  38  -1.489   7.309  -2.100
  285   1HH2  ARG  38          HH11      ARG  38  -1.100  10.068   0.029
  286   2HH2  ARG  38          HH12      ARG  38  -1.000   8.342  -0.074
  287    H    LEU  39           HN       LEU  39  -6.186   6.991  -2.930
  288    HA   LEU  39           HA       LEU  39  -7.338   5.336  -0.826
  289   1HB   LEU  39           HB2      LEU  39  -7.802   5.077  -3.307
  290   2HB   LEU  39           HB1      LEU  39  -6.173   4.441  -3.471
  291    HG   LEU  39           HG       LEU  39  -6.728   2.685  -1.762
  292   1HD1  LEU  39          HD11      LEU  39  -9.240   4.257  -1.698
  293   2HD1  LEU  39          HD13      LEU  39  -9.472   2.516  -1.788
  294   3HD1  LEU  39          HD12      LEU  39  -8.539   3.213  -0.467
  295   1HD2  LEU  39          HD23      LEU  39  -6.891   2.224  -4.189
  296   2HD2  LEU  39          HD22      LEU  39  -8.126   1.339  -3.299
  297   3HD2  LEU  39          HD21      LEU  39  -8.555   2.798  -4.187
  298    H    THR  40           HN       THR  40  -5.584   5.686   0.733
  299    HA   THR  40           HA       THR  40  -2.919   4.705   0.218
  300    HB   THR  40           HB       THR  40  -2.667   4.895   2.723
  301    HG1  THR  40           HG1      THR  40  -5.371   5.727   2.584
  302   1HG2  THR  40          HG21      THR  40  -4.039   7.097   1.160
  303   2HG2  THR  40          HG23      THR  40  -3.670   7.316   2.868
  304   3HG2  THR  40          HG22      THR  40  -2.369   7.037   1.715
  305    NH1  ARG  41           NH2      ARG  41   0.638  -3.961   0.691
  306    NH2  ARG  41           NH1      ARG  41   2.108  -3.205   2.269
  307    H    ARG  41           HN       ARG  41  -2.204   3.048   2.182
  308    HA   ARG  41           HA       ARG  41  -3.380   0.505   1.325
  309   1HB   ARG  41           HB2      ARG  41  -0.917   0.857   1.707
  310   2HB   ARG  41           HB1      ARG  41  -1.260   0.991   3.429
  311   1HG   ARG  41           HG2      ARG  41  -2.228  -1.265   3.437
  312   2HG   ARG  41           HG1      ARG  41  -1.978  -1.401   1.700
  313   1HD   ARG  41           HD2      ARG  41   0.430  -0.655   3.265
  314   2HD   ARG  41           HD1      ARG  41  -0.175  -2.285   3.550
  315    HE   ARG  41           HE       ARG  41   0.326  -1.345   0.760
  316   1HH1  ARG  41          HH21      ARG  41  -0.166  -3.794   0.122
  317   2HH1  ARG  41          HH22      ARG  41   1.118  -4.837   0.636
  318   1HH2  ARG  41          HH11      ARG  41   2.404  -2.474   2.882
  319   2HH2  ARG  41          HH12      ARG  41   2.612  -4.068   2.240
  320    H    GLU  42           HN       GLU  42  -3.484   2.586   4.125
  321    HA   GLU  42           HA       GLU  42  -4.678   0.611   5.890
  322   1HB   GLU  42           HB2      GLU  42  -4.637   3.636   6.055
  323   2HB   GLU  42           HB1      GLU  42  -5.135   2.557   7.356
  324   1HG   GLU  42           HG2      GLU  42  -2.974   2.338   7.976
  325   2HG   GLU  42           HG1      GLU  42  -2.608   1.630   6.405
  326    H    ASP  43           HN       ASP  43  -5.931   1.226   3.194
  327    HA   ASP  43           HA       ASP  43  -8.704   1.679   4.226
  328   1HB   ASP  43           HB2      ASP  43  -7.454   2.789   1.704
  329   2HB   ASP  43           HB1      ASP  43  -9.184   2.822   2.032
  330    H    VAL  44           HN       VAL  44  -6.681   0.266   1.692
  331    HA   VAL  44           HA       VAL  44  -8.942  -1.400   0.760
  332    HB   VAL  44           HB       VAL  44  -6.112  -1.667  -0.219
  333   1HG1  VAL  44          HG13      VAL  44  -7.903  -3.201  -1.031
  334   2HG1  VAL  44          HG12      VAL  44  -8.831  -1.806  -1.569
  335   3HG1  VAL  44          HG11      VAL  44  -7.285  -2.177  -2.324
  336   1HG2  VAL  44          HG21      VAL  44  -8.100   0.534  -0.864
  337   2HG2  VAL  44          HG23      VAL  44  -6.482   0.732  -0.200
  338   3HG2  VAL  44          HG22      VAL  44  -6.691   0.170  -1.856
  339    H    GLU  45           HN       GLU  45  -5.822  -1.783   2.382
  340    HA   GLU  45           HA       GLU  45  -5.966  -4.670   2.498
  341   1HB   GLU  45           HB2      GLU  45  -4.179  -2.574   3.446
  342   2HB   GLU  45           HB1      GLU  45  -4.363  -3.866   4.627
  343   1HG   GLU  45           HG2      GLU  45  -3.781  -5.542   2.937
  344   2HG   GLU  45           HG1      GLU  45  -3.701  -4.296   1.693
  345    H    LYS  46           HN       LYS  46  -6.279  -2.254   5.105
  346    HA   LYS  46           HA       LYS  46  -7.189  -3.887   7.153
  347   1HB   LYS  46           HB2      LYS  46  -6.826  -1.474   7.433
  348   2HB   LYS  46           HB1      LYS  46  -8.240  -1.134   6.445
  349   1HG   LYS  46           HG2      LYS  46  -8.791  -3.007   8.643
  350   2HG   LYS  46           HG1      LYS  46  -8.252  -1.428   9.200
  351   1HD   LYS  46           HD2      LYS  46 -10.010  -0.306   8.011
  352   2HD   LYS  46           HD1      LYS  46 -10.422  -1.762   7.114
  353   1HE   LYS  46           HE2      LYS  46 -11.929  -1.161   9.123
  354   2HE   LYS  46           HE1      LYS  46 -11.345  -2.817   9.033
  355   1HZ   LYS  46           HZ3      LYS  46  -9.493  -2.118  10.509
  356   2HZ   LYS  46           HZ2      LYS  46 -10.274  -0.625  10.711
  357   3HZ   LYS  46           HZ1      LYS  46 -11.029  -2.054  11.232
  358    H    HIS  47           HN       HIS  47  -8.808  -3.101   4.224
  359    HA   HIS  47           HA       HIS  47 -11.482  -3.811   5.149
  360   1HB   HIS  47           HB2      HIS  47 -11.014  -2.263   3.222
  361   2HB   HIS  47           HB1      HIS  47 -10.456  -3.659   2.305
  362    HD1  HIS  47           HD1      HIS  47 -13.543  -2.411   3.896
  363    HD2  HIS  47           HD2      HIS  47 -12.442  -5.238   1.202
  364    HE1  HIS  47           HE1      HIS  47 -15.629  -3.249   2.984
  365    H    LEU  48           HN       LEU  48  -8.869  -5.413   3.408
  366    HA   LEU  48           HA       LEU  48 -10.349  -7.831   2.853
  367   1HB   LEU  48           HB2      LEU  48  -7.449  -7.059   2.825
  368   2HB   LEU  48           HB1      LEU  48  -7.900  -8.753   2.669
  369    HG   LEU  48           HG       LEU  48  -9.360  -6.762   0.977
  370   1HD1  LEU  48          HD13      LEU  48  -6.470  -7.577   0.666
  371   2HD1  LEU  48          HD12      LEU  48  -7.452  -7.209  -0.747
  372   3HD1  LEU  48          HD11      LEU  48  -7.185  -5.979   0.484
  373   1HD2  LEU  48          HD21      LEU  48  -9.681  -9.354   1.157
  374   2HD2  LEU  48          HD23      LEU  48  -9.643  -8.623  -0.444
  375   3HD2  LEU  48          HD22      LEU  48  -8.217  -9.439   0.185
  376    H    ALA  49           HN       ALA  49  -7.926  -6.996   5.314
  377    HA   ALA  49           HA       ALA  49  -9.225  -8.825   7.214
  378   1HB   ALA  49           HB3      ALA  49  -7.667 -10.273   5.880
  379   2HB   ALA  49           HB2      ALA  49  -6.331  -9.273   6.442
  380   3HB   ALA  49           HB1      ALA  49  -7.273 -10.214   7.594
  381    H    LYS  50           HN       LYS  50  -7.437  -8.951   9.196
  382    HA   LYS  50           HA       LYS  50  -7.181  -6.119   9.987
  383   1HB   LYS  50           HB2      LYS  50  -6.937  -8.741  11.453
  384   2HB   LYS  50           HB1      LYS  50  -6.443  -7.226  12.198
  385   1HG   LYS  50           HG2      LYS  50  -8.674  -6.293  11.906
  386   2HG   LYS  50           HG1      LYS  50  -9.184  -7.701  10.982
  387   1HD   LYS  50           HD2      LYS  50  -9.973  -7.870  13.315
  388   2HD   LYS  50           HD1      LYS  50  -8.806  -9.139  12.965
  389   1HE   LYS  50           HE2      LYS  50  -7.153  -8.172  14.279
  390   2HE   LYS  50           HE1      LYS  50  -7.772  -6.543  14.047
  391   1HZ   LYS  50           HZ2      LYS  50  -9.407  -8.483  15.515
  392   2HZ   LYS  50           HZ1      LYS  50  -8.082  -7.768  16.299
  393   3HZ   LYS  50           HZ3      LYS  50  -9.325  -6.794  15.676
  394    H    ALA  51           HN       ALA  51  -5.332  -5.029   9.816
  395    HA   ALA  51           HA       ALA  51  -2.754  -6.224  10.380
  396   1HB   ALA  51           HB3      ALA  51  -3.647  -5.893   7.542
  397   2HB   ALA  51           HB2      ALA  51  -1.958  -5.593   7.937
  398   3HB   ALA  51           HB1      ALA  51  -2.670  -7.169   8.261
   
 Raw file had 398 H/Q atoms
  Start of MODEL   12
    1    OH   TYR   1           OH       TYR   1  25.200   3.119   7.606
    2   1H    TYR   1           HT2      TYR   1  22.206   7.407   6.233
    3   2H    TYR   1           HT1      TYR   1  22.765   7.285   7.832
    4   3H    TYR   1           HT3      TYR   1  21.386   8.213   7.483
    5    HA   TYR   1           HA       TYR   1  22.891   9.883   7.622
    6   1HB   TYR   1           HB2      TYR   1  25.238   9.112   6.303
    7   2HB   TYR   1           HB1      TYR   1  25.010   9.235   8.045
    8    HD1  TYR   1           HD2      TYR   1  24.345   6.869   5.217
    9    HD2  TYR   1           HD1      TYR   1  25.285   7.298   9.343
   10    HE1  TYR   1           HE2      TYR   1  24.581   4.436   5.417
   11    HE2  TYR   1           HE1      TYR   1  25.520   4.866   9.543
   12    HH   TYR   1           HH       TYR   1  24.384   2.716   7.299
   13    H    ALA   2           HN       ALA   2  23.164  11.513   6.126
   14    HA   ALA   2           HA       ALA   2  22.094  10.964   3.456
   15   1HB   ALA   2           HB3      ALA   2  22.691  13.353   5.095
   16   2HB   ALA   2           HB2      ALA   2  22.860  13.571   3.357
   17   3HB   ALA   2           HB1      ALA   2  21.324  13.034   4.031
   18    H    SER   3           HN       SER   3  23.237  10.703   1.627
   19    HA   SER   3           HA       SER   3  25.955  11.767   1.363
   20   1HB   SER   3           HB2      SER   3  25.593   8.761   1.198
   21   2HB   SER   3           HB1      SER   3  27.114   9.674   1.174
   22    HG   SER   3           HG1      SER   3  26.986   9.379   3.269
   23    H    LEU   4           HN       LEU   4  23.042  10.862   0.115
   24    HA   LEU   4           HA       LEU   4  23.982  11.339  -2.635
   25   1HB   LEU   4           HB2      LEU   4  24.120   8.822  -2.141
   26   2HB   LEU   4           HB1      LEU   4  22.362   8.852  -2.088
   27    HG   LEU   4           HG       LEU   4  22.759  10.211  -4.396
   28   1HD1  LEU   4          HD13      LEU   4  25.274   9.831  -4.066
   29   2HD1  LEU   4          HD12      LEU   4  24.960   8.128  -4.384
   30   3HD1  LEU   4          HD11      LEU   4  24.622   9.332  -5.624
   31   1HD2  LEU   4          HD23      LEU   4  22.742   7.193  -4.038
   32   2HD2  LEU   4          HD22      LEU   4  21.325   8.235  -4.135
   33   3HD2  LEU   4          HD21      LEU   4  22.362   8.026  -5.543
   34    H    GLU   5           HN       GLU   5  21.068   9.909  -1.177
   35    HA   GLU   5           HA       GLU   5  19.544  12.367  -1.741
   36   1HB   GLU   5           HB2      GLU   5  19.472  10.002  -3.466
   37   2HB   GLU   5           HB1      GLU   5  17.880  10.472  -2.880
   38   1HG   GLU   5           HG2      GLU   5  18.249  12.777  -3.671
   39   2HG   GLU   5           HG1      GLU   5  19.868  12.343  -4.215
   40    H    GLU   6           HN       GLU   6  19.038  12.471   0.437
   41    HA   GLU   6           HA       GLU   6  17.769  10.128   1.718
   42   1HB   GLU   6           HB2      GLU   6  19.356  12.234   2.653
   43   2HB   GLU   6           HB1      GLU   6  17.752  12.569   3.294
   44   1HG   GLU   6           HG2      GLU   6  19.235   9.928   3.547
   45   2HG   GLU   6           HG1      GLU   6  19.018  11.109   4.837
   46    H    GLN   7           HN       GLN   7  16.580  11.965  -0.460
   47    HA   GLN   7           HA       GLN   7  14.181  12.948   0.987
   48   1HB   GLN   7           HB2      GLN   7  14.926  13.216  -1.938
   49   2HB   GLN   7           HB1      GLN   7  13.604  14.044  -1.122
   50   1HG   GLN   7           HG2      GLN   7  15.802  14.615   0.487
   51   2HG   GLN   7           HG1      GLN   7  16.462  14.691  -1.146
   52   1HE2  GLN   7          HE22      GLN   7  14.533  17.538  -2.086
   53   2HE2  GLN   7          HE21      GLN   7  15.425  16.218  -2.673
   54    H    ASN   8           HN       ASN   8  12.286  11.890   0.949
   55    HA   ASN   8           HA       ASN   8  11.406  10.233  -1.232
   56   1HB   ASN   8           HB2      ASN   8  12.934   8.952   0.963
   57   2HB   ASN   8           HB1      ASN   8  11.449   8.137   0.479
   58   1HD2  ASN   8          HD22      ASN   8  12.648   7.621  -2.926
   59   2HD2  ASN   8          HD21      ASN   8  11.239   8.106  -2.113
   60    H    ASN   9           HN       ASN   9   9.652  11.719  -0.711
   61    HA   ASN   9           HA       ASN   9   8.157  11.084   1.779
   62   1HB   ASN   9           HB2      ASN   9   6.681  13.002   0.504
   63   2HB   ASN   9           HB1      ASN   9   7.971  13.351   1.652
   64   1HD2  ASN   9          HD22      ASN   9   8.487  14.175  -2.294
   65   2HD2  ASN   9          HD21      ASN   9   7.068  13.434  -1.730
   66    H    ASP  10           HN       ASP  10   8.351   9.924  -1.279
   67    HA   ASP  10           HA       ASP  10   5.781   9.738  -2.333
   68   1HB   ASP  10           HB2      ASP  10   6.466   7.532  -3.248
   69   2HB   ASP  10           HB1      ASP  10   7.737   8.740  -3.427
   70    H    ALA  11           HN       ALA  11   3.988   9.398  -1.162
   71    HA   ALA  11           HA       ALA  11   3.960   7.635   1.159
   72   1HB   ALA  11           HB3      ALA  11   2.190   9.587  -0.066
   73   2HB   ALA  11           HB2      ALA  11   1.309   8.144   0.425
   74   3HB   ALA  11           HB1      ALA  11   2.256   9.041   1.606
   75    H    LEU  12           HN       LEU  12   2.218   7.565  -1.952
   76    HA   LEU  12           HA       LEU  12   1.141   4.962  -1.695
   77   1HB   LEU  12           HB2      LEU  12   2.066   6.378  -4.210
   78   2HB   LEU  12           HB1      LEU  12   1.002   4.977  -4.171
   79    HG   LEU  12           HG       LEU  12   0.202   7.263  -2.445
   80   1HD1  LEU  12          HD12      LEU  12   0.014   7.342  -5.478
   81   2HD1  LEU  12          HD11      LEU  12  -0.797   8.461  -4.387
   82   3HD1  LEU  12          HD13      LEU  12   0.961   8.439  -4.477
   83   1HD2  LEU  12          HD22      LEU  12  -1.076   5.094  -2.794
   84   2HD2  LEU  12          HD21      LEU  12  -2.006   6.551  -3.132
   85   3HD2  LEU  12          HD23      LEU  12  -1.345   5.600  -4.458
   86    H    SER  13           HN       SER  13   1.878   2.914  -2.271
   87    HA   SER  13           HA       SER  13   4.828   2.698  -2.519
   88   1HB   SER  13           HB2      SER  13   4.693   0.618  -1.430
   89   2HB   SER  13           HB1      SER  13   3.333   1.490  -0.692
   90    HG   SER  13           HG1      SER  13   2.089   0.078  -1.613
   91    HA   PRO  14           HA       PRO  14   4.471   1.294  -6.732
   92   1HB   PRO  14           HB2      PRO  14   6.511  -0.681  -6.626
   93   2HB   PRO  14           HB1      PRO  14   6.668   0.981  -7.193
   94   1HG   PRO  14           HG2      PRO  14   7.636  -0.192  -4.681
   95   2HG   PRO  14           HG1      PRO  14   8.001   1.394  -5.365
   96   1HD   PRO  14           HD1      PRO  14   6.308   0.857  -3.133
   97   2HD   PRO  14           HD2      PRO  14   6.510   2.409  -3.974
   98    H    ALA  15           HN       ALA  15   4.585  -0.991  -4.094
   99    HA   ALA  15           HA       ALA  15   3.641  -3.266  -5.636
  100   1HB   ALA  15           HB1      ALA  15   3.745  -2.735  -2.659
  101   2HB   ALA  15           HB3      ALA  15   3.255  -4.273  -3.363
  102   3HB   ALA  15           HB2      ALA  15   4.892  -3.674  -3.608
  103    H    ILE  16           HN       ILE  16   2.108  -0.528  -5.227
  104    HA   ILE  16           HA       ILE  16  -0.456  -1.526  -4.186
  105    HB   ILE  16           HB       ILE  16   0.496   0.883  -3.960
  106   1HG1  ILE  16          HG12      ILE  16  -2.349   0.411  -4.919
  107   2HG1  ILE  16          HG11      ILE  16  -1.783   0.182  -3.268
  108   1HG2  ILE  16          HG21      ILE  16   0.803   0.920  -6.550
  109   2HG2  ILE  16          HG23      ILE  16  -0.924   1.263  -6.592
  110   3HG2  ILE  16          HG22      ILE  16   0.173   2.364  -5.763
  111   1HD1  ILE  16           HD3      ILE  16  -1.003   2.638  -3.377
  112   2HD1  ILE  16           HD2      ILE  16  -1.995   2.767  -4.826
  113   3HD1  ILE  16           HD1      ILE  16  -2.740   2.364  -3.282
  114    NH1  ARG  17           NH2      ARG  17   0.119   3.450 -12.155
  115    NH2  ARG  17           NH1      ARG  17  -1.855   2.307 -12.303
  116    H    ARG  17           HN       ARG  17   1.159  -1.645  -7.109
  117    HA   ARG  17           HA       ARG  17  -1.248  -1.462  -8.799
  118   1HB   ARG  17           HB2      ARG  17   1.642  -2.117  -9.406
  119   2HB   ARG  17           HB1      ARG  17   0.376  -2.093 -10.628
  120   1HG   ARG  17           HG2      ARG  17   0.517   0.293  -8.860
  121   2HG   ARG  17           HG1      ARG  17   1.855   0.093  -9.985
  122   1HD   ARG  17           HD2      ARG  17   0.448   0.206 -11.874
  123   2HD   ARG  17           HD1      ARG  17  -0.990  -0.212 -10.944
  124    HE   ARG  17           HE       ARG  17  -0.273   2.179  -9.825
  125   1HH1  ARG  17          HH21      ARG  17   0.997   3.586 -11.698
  126   2HH1  ARG  17          HH22      ARG  17  -0.134   4.025 -12.934
  127   1HH2  ARG  17          HH11      ARG  17  -2.455   1.588 -11.955
  128   2HH2  ARG  17          HH12      ARG  17  -2.141   2.863 -13.083
  129    NH1  ARG  18           NH2      ARG  18   1.958 -10.076 -10.588
  130    NH2  ARG  18           NH1      ARG  18   0.953  -9.308 -12.490
  131    H    ARG  18           HN       ARG  18   1.201  -3.958  -8.112
  132    HA   ARG  18           HA       ARG  18  -0.380  -6.076  -9.284
  133   1HB   ARG  18           HB2      ARG  18   1.919  -6.243  -7.317
  134   2HB   ARG  18           HB1      ARG  18   1.293  -7.578  -8.279
  135   1HG   ARG  18           HG2      ARG  18   1.808  -5.364 -10.032
  136   2HG   ARG  18           HG1      ARG  18   3.239  -5.632  -9.042
  137   1HD   ARG  18           HD2      ARG  18   3.327  -7.030 -11.077
  138   2HD   ARG  18           HD1      ARG  18   3.185  -8.046  -9.644
  139    HE   ARG  18           HE       ARG  18   0.591  -7.390 -10.783
  140   1HH1  ARG  18          HH21      ARG  18   2.327  -9.888  -9.678
  141   2HH1  ARG  18          HH22      ARG  18   1.982 -11.007 -10.953
  142   1HH2  ARG  18          HH11      ARG  18   0.569  -8.543 -13.006
  143   2HH2  ARG  18          HH12      ARG  18   0.960 -10.226 -12.888
  144    H    LEU  19           HN       LEU  19  -1.195  -4.296  -6.789
  145    HA   LEU  19           HA       LEU  19  -1.956  -6.482  -4.937
  146   1HB   LEU  19           HB2      LEU  19  -1.037  -4.207  -4.181
  147   2HB   LEU  19           HB1      LEU  19  -2.608  -3.552  -4.626
  148    HG   LEU  19           HG       LEU  19  -3.407  -5.693  -3.167
  149   1HD1  LEU  19          HD13      LEU  19  -0.940  -6.195  -2.717
  150   2HD1  LEU  19          HD12      LEU  19  -0.906  -4.718  -1.758
  151   3HD1  LEU  19          HD11      LEU  19  -1.954  -6.052  -1.285
  152   1HD2  LEU  19          HD23      LEU  19  -2.569  -2.974  -2.100
  153   2HD2  LEU  19          HD22      LEU  19  -4.128  -3.370  -2.815
  154   3HD2  LEU  19          HD21      LEU  19  -3.660  -4.083  -1.275
  155    H    LEU  20           HN       LEU  20  -3.698  -3.650  -6.207
  156    HA   LEU  20           HA       LEU  20  -6.296  -4.710  -5.840
  157   1HB   LEU  20           HB2      LEU  20  -5.161  -2.622  -7.681
  158   2HB   LEU  20           HB1      LEU  20  -6.857  -3.080  -7.799
  159    HG   LEU  20           HG       LEU  20  -5.790  -2.527  -5.065
  160   1HD1  LEU  20          HD12      LEU  20  -6.247  -0.432  -7.208
  161   2HD1  LEU  20          HD11      LEU  20  -6.323  -0.057  -5.489
  162   3HD1  LEU  20          HD13      LEU  20  -4.821  -0.643  -6.196
  163   1HD2  LEU  20          HD23      LEU  20  -8.179  -3.219  -5.704
  164   2HD2  LEU  20          HD22      LEU  20  -8.037  -1.786  -4.691
  165   3HD2  LEU  20          HD21      LEU  20  -8.344  -1.617  -6.417
  166    H    ALA  21           HN       ALA  21  -3.937  -5.332  -8.298
  167    HA   ALA  21           HA       ALA  21  -5.806  -6.475 -10.216
  168   1HB   ALA  21           HB3      ALA  21  -3.277  -5.580 -10.451
  169   2HB   ALA  21           HB2      ALA  21  -2.950  -7.299 -10.254
  170   3HB   ALA  21           HB1      ALA  21  -3.975  -6.744 -11.574
  171    H    GLU  22           HN       GLU  22  -4.210  -7.575  -7.383
  172    HA   GLU  22           HA       GLU  22  -4.446 -10.423  -8.070
  173   1HB   GLU  22           HB2      GLU  22  -2.601  -9.500  -6.626
  174   2HB   GLU  22           HB1      GLU  22  -3.808  -9.176  -5.387
  175   1HG   GLU  22           HG2      GLU  22  -4.413 -11.570  -5.334
  176   2HG   GLU  22           HG1      GLU  22  -3.230 -11.904  -6.596
  177    H    HIS  23           HN       HIS  23  -6.025  -8.110  -5.906
  178    HA   HIS  23           HA       HIS  23  -8.018 -10.153  -5.128
  179   1HB   HIS  23           HB2      HIS  23  -8.132  -7.264  -4.304
  180   2HB   HIS  23           HB1      HIS  23  -8.660  -8.691  -3.415
  181    HD1  HIS  23           HD1      HIS  23  -6.460 -10.291  -2.920
  182    HD2  HIS  23           HD2      HIS  23  -5.730  -6.330  -3.421
  183    HE1  HIS  23           HE1      HIS  23  -4.281  -9.925  -1.914
  184    H    ASN  24           HN       ASN  24  -7.746  -7.245  -7.060
  185    HA   ASN  24           HA       ASN  24  -9.230  -6.293  -8.614
  186   1HB   ASN  24           HB2      ASN  24  -9.162  -8.771  -9.341
  187   2HB   ASN  24           HB1      ASN  24 -10.736  -8.903  -8.562
  188   1HD2  ASN  24          HD22      ASN  24 -10.494  -6.257 -11.709
  189   2HD2  ASN  24          HD21      ASN  24  -9.204  -6.356 -10.610
  190    H    LEU  25           HN       LEU  25  -9.807  -5.349  -6.257
  191    HA   LEU  25           HA       LEU  25 -12.721  -5.811  -5.770
  192   1HB   LEU  25           HB2      LEU  25 -10.435  -4.962  -4.053
  193   2HB   LEU  25           HB1      LEU  25 -12.028  -4.320  -3.669
  194    HG   LEU  25           HG       LEU  25 -11.731  -7.262  -4.212
  195   1HD1  LEU  25          HD13      LEU  25 -11.098  -5.852  -1.598
  196   2HD1  LEU  25          HD12      LEU  25 -11.311  -7.590  -1.770
  197   3HD1  LEU  25          HD11      LEU  25  -9.968  -6.785  -2.575
  198   1HD2  LEU  25          HD23      LEU  25 -13.893  -5.742  -3.728
  199   2HD2  LEU  25          HD22      LEU  25 -13.777  -7.397  -3.139
  200   3HD2  LEU  25          HD21      LEU  25 -13.417  -6.051  -2.061
  201    H    ASP  26           HN       ASP  26 -13.984  -3.849  -5.199
  202    HA   ASP  26           HA       ASP  26 -13.264  -1.646  -7.059
  203   1HB   ASP  26           HB2      ASP  26 -15.674  -2.959  -6.471
  204   2HB   ASP  26           HB1      ASP  26 -15.840  -1.354  -5.763
  205    H    ALA  27           HN       ALA  27 -12.007  -0.163  -6.082
  206    HA   ALA  27           HA       ALA  27 -12.009   0.413  -3.281
  207   1HB   ALA  27           HB2      ALA  27 -10.777   1.531  -5.706
  208   2HB   ALA  27           HB1      ALA  27 -11.062   2.720  -4.439
  209   3HB   ALA  27           HB3      ALA  27 -10.087   1.293  -4.104
  210    H    SER  28           HN       SER  28 -14.352   1.040  -5.539
  211    HA   SER  28           HA       SER  28 -15.220   3.675  -4.976
  212   1HB   SER  28           HB2      SER  28 -16.164   1.669  -6.564
  213   2HB   SER  28           HB1      SER  28 -17.381   1.672  -5.273
  214    HG   SER  28           HG1      SER  28 -17.046   4.123  -5.560
  215    H    ALA  29           HN       ALA  29 -16.058   0.630  -3.359
  216    HA   ALA  29           HA       ALA  29 -17.710   1.922  -1.358
  217   1HB   ALA  29           HB2      ALA  29 -17.617  -0.594  -2.162
  218   2HB   ALA  29           HB1      ALA  29 -16.417  -0.737  -0.880
  219   3HB   ALA  29           HB3      ALA  29 -18.054  -0.210  -0.499
  220    H    ILE  30           HN       ILE  30 -14.345   1.453  -1.765
  221    HA   ILE  30           HA       ILE  30 -13.795   1.861   1.118
  222    HB   ILE  30           HB       ILE  30 -11.815   1.558  -1.156
  223   1HG1  ILE  30          HG12      ILE  30 -13.228  -0.413  -1.157
  224   2HG1  ILE  30          HG11      ILE  30 -11.703  -0.852  -0.408
  225   1HG2  ILE  30          HG21      ILE  30 -11.583   1.985   1.722
  226   2HG2  ILE  30          HG23      ILE  30 -10.783   0.497   1.234
  227   3HG2  ILE  30          HG22      ILE  30 -10.332   2.023   0.490
  228   1HD1  ILE  30           HD2      ILE  30 -12.922  -0.203   1.835
  229   2HD1  ILE  30           HD1      ILE  30 -14.389  -0.406   0.888
  230   3HD1  ILE  30           HD3      ILE  30 -13.278  -1.755   1.090
  231    H    LYS  31           HN       LYS  31 -14.226   3.974   1.593
  232    HA   LYS  31           HA       LYS  31 -13.679   6.185  -0.150
  233   1HB   LYS  31           HB2      LYS  31 -14.265   5.903   2.780
  234   2HB   LYS  31           HB1      LYS  31 -13.777   7.466   2.133
  235   1HG   LYS  31           HG2      LYS  31 -15.651   7.579   0.682
  236   2HG   LYS  31           HG1      LYS  31 -15.977   5.855   0.831
  237   1HD   LYS  31           HD2      LYS  31 -17.576   7.230   2.163
  238   2HD   LYS  31           HD1      LYS  31 -16.628   6.149   3.177
  239   1HE   LYS  31           HE2      LYS  31 -16.841   8.597   3.964
  240   2HE   LYS  31           HE1      LYS  31 -15.222   7.911   3.931
  241   1HZ   LYS  31           HZ1      LYS  31 -16.283   9.356   1.594
  242   2HZ   LYS  31           HZ3      LYS  31 -15.610  10.204   2.902
  243   3HZ   LYS  31           HZ2      LYS  31 -14.667   9.084   2.042
  244    H    GLY  32           HN       GLY  32 -11.578   6.148  -0.902
  245   1HA   GLY  32           HA2      GLY  32  -9.298   5.814   0.859
  246   2HA   GLY  32           HA1      GLY  32  -9.231   6.342  -0.820
  247    H    THR  33           HN       THR  33  -8.537   7.288   2.220
  248    HA   THR  33           HA       THR  33  -9.310  10.126   1.869
  249    HB   THR  33           HB       THR  33  -8.116  10.274   4.202
  250    HG1  THR  33           HG1      THR  33  -7.016   8.317   3.974
  251   1HG2  THR  33          HG22      THR  33 -10.631   8.735   3.568
  252   2HG2  THR  33          HG21      THR  33 -10.036   8.755   5.225
  253   3HG2  THR  33          HG23      THR  33 -10.469  10.264   4.427
  254    H    GLY  34           HN       GLY  34  -6.338   8.287   2.554
  255   1HA   GLY  34           HA2      GLY  34  -4.087   8.890   2.187
  256   2HA   GLY  34           HA1      GLY  34  -4.687   9.328   0.590
  257    H    VAL  35           HN       VAL  35  -2.953  10.972   0.750
  258    HA   VAL  35           HA       VAL  35  -2.805  13.060   2.601
  259    HB   VAL  35           HB       VAL  35  -2.423  13.147  -0.401
  260   1HG1  VAL  35          HG11      VAL  35  -2.186  15.228   1.719
  261   2HG1  VAL  35          HG13      VAL  35  -0.867  15.145   0.556
  262   3HG1  VAL  35          HG12      VAL  35  -2.517  15.415   0.000
  263   1HG2  VAL  35          HG21      VAL  35  -0.971  11.615   1.013
  264   2HG2  VAL  35          HG23      VAL  35  -0.084  12.855   0.132
  265   3HG2  VAL  35          HG22      VAL  35  -0.395  13.051   1.854
  266    H    GLY  36           HN       GLY  36  -5.113  12.580   0.013
  267   1HA   GLY  36           HA2      GLY  36  -7.104  14.225   1.210
  268   2HA   GLY  36           HA1      GLY  36  -6.279  15.175  -0.023
  269    H    GLY  37           HN       GLY  37  -8.259  12.346   0.567
  270   1HA   GLY  37           HA2      GLY  37  -9.795  11.271  -0.853
  271   2HA   GLY  37           HA1      GLY  37  -9.596  12.616  -1.973
  272    NH1  ARG  38           NH1      ARG  38  -4.185   7.563  -7.156
  273    NH2  ARG  38           NH2      ARG  38  -3.860   9.691  -7.921
  274    H    ARG  38           HN       ARG  38  -7.301  10.209  -0.716
  275    HA   ARG  38           HA       ARG  38  -6.939   9.178  -3.487
  276   1HB   ARG  38           HB2      ARG  38  -5.215  10.943  -3.019
  277   2HB   ARG  38           HB1      ARG  38  -4.631   9.952  -1.687
  278   1HG   ARG  38           HG2      ARG  38  -3.358   8.813  -3.165
  279   2HG   ARG  38           HG1      ARG  38  -4.835   8.215  -3.913
  280   1HD   ARG  38           HD2      ARG  38  -4.924  10.252  -5.338
  281   2HD   ARG  38           HD1      ARG  38  -3.419  10.813  -4.609
  282    HE   ARG  38           HE       ARG  38  -2.313   8.820  -5.627
  283   1HH1  ARG  38          HH11      ARG  38  -4.094   6.895  -6.417
  284   2HH1  ARG  38          HH12      ARG  38  -4.603   7.294  -8.024
  285   1HH2  ARG  38          HH21      ARG  38  -3.524  10.618  -7.757
  286   2HH2  ARG  38          HH22      ARG  38  -4.272   9.458  -8.803
  287    H    LEU  39           HN       LEU  39  -6.793   7.017  -3.546
  288    HA   LEU  39           HA       LEU  39  -7.078   5.467  -1.129
  289   1HB   LEU  39           HB2      LEU  39  -7.891   4.880  -3.497
  290   2HB   LEU  39           HB1      LEU  39  -6.239   4.366  -3.810
  291    HG   LEU  39           HG       LEU  39  -6.636   3.090  -1.468
  292   1HD1  LEU  39          HD12      LEU  39  -8.966   3.983  -1.297
  293   2HD1  LEU  39          HD11      LEU  39  -9.365   3.155  -2.798
  294   3HD1  LEU  39          HD13      LEU  39  -8.926   2.225  -1.370
  295   1HD2  LEU  39          HD23      LEU  39  -7.582   2.144  -4.194
  296   2HD2  LEU  39          HD22      LEU  39  -5.934   2.039  -3.583
  297   3HD2  LEU  39          HD21      LEU  39  -7.214   1.091  -2.832
  298    H    THR  40           HN       THR  40  -5.605   4.109  -0.114
  299    HA   THR  40           HA       THR  40  -2.772   4.237  -1.027
  300    HB   THR  40           HB       THR  40  -1.988   4.857   1.216
  301    HG1  THR  40           HG1      THR  40  -4.731   4.984   1.909
  302   1HG2  THR  40          HG22      THR  40  -3.272   6.653  -0.354
  303   2HG2  THR  40          HG21      THR  40  -4.378   6.646   1.017
  304   3HG2  THR  40          HG23      THR  40  -2.687   7.079   1.252
  305    NH1  ARG  41           NH1      ARG  41   2.950  -2.770   1.959
  306    NH2  ARG  41           NH2      ARG  41   1.984  -3.864   0.201
  307    H    ARG  41           HN       ARG  41  -1.793   2.974   1.356
  308    HA   ARG  41           HA       ARG  41  -2.644   0.219   0.739
  309   1HB   ARG  41           HB2      ARG  41  -0.251   0.685   0.935
  310   2HB   ARG  41           HB1      ARG  41  -0.484   1.284   2.574
  311   1HG   ARG  41           HG2      ARG  41  -1.101  -0.878   3.383
  312   2HG   ARG  41           HG1      ARG  41  -1.312  -1.509   1.753
  313   1HD   ARG  41           HD2      ARG  41   1.376  -0.396   2.341
  314   2HD   ARG  41           HD1      ARG  41   0.961  -1.869   3.216
  315    HE   ARG  41           HE       ARG  41   0.409  -1.968   0.333
  316   1HH1  ARG  41          HH11      ARG  41   2.916  -2.027   2.628
  317   2HH1  ARG  41          HH12      ARG  41   3.722  -3.404   1.957
  318   1HH2  ARG  41          HH21      ARG  41   1.228  -3.942  -0.448
  319   2HH2  ARG  41          HH22      ARG  41   2.740  -4.519   0.168
  320    H    GLU  42           HN       GLU  42  -2.688   2.472   3.447
  321    HA   GLU  42           HA       GLU  42  -3.841   0.528   5.280
  322   1HB   GLU  42           HB2      GLU  42  -4.365   2.959   6.409
  323   2HB   GLU  42           HB1      GLU  42  -2.858   2.083   6.616
  324   1HG   GLU  42           HG2      GLU  42  -3.286   3.963   4.283
  325   2HG   GLU  42           HG1      GLU  42  -2.693   4.544   5.837
  326    H    ASP  43           HN       ASP  43  -5.090   1.731   2.615
  327    HA   ASP  43           HA       ASP  43  -7.732   2.498   3.726
  328   1HB   ASP  43           HB2      ASP  43  -6.637   2.497   0.902
  329   2HB   ASP  43           HB1      ASP  43  -8.283   2.966   1.316
  330    H    VAL  44           HN       VAL  44  -6.470   0.246   1.267
  331    HA   VAL  44           HA       VAL  44  -8.930  -1.289   1.203
  332    HB   VAL  44           HB       VAL  44  -6.255  -2.336   0.302
  333   1HG1  VAL  44          HG11      VAL  44  -8.384  -3.712   0.185
  334   2HG1  VAL  44          HG13      VAL  44  -9.023  -2.508  -0.929
  335   3HG1  VAL  44          HG12      VAL  44  -7.604  -3.451  -1.371
  336   1HG2  VAL  44          HG23      VAL  44  -7.791   0.016  -0.697
  337   2HG2  VAL  44          HG22      VAL  44  -6.065  -0.317  -0.797
  338   3HG2  VAL  44          HG21      VAL  44  -7.179  -1.098  -1.915
  339    H    GLU  45           HN       GLU  45  -5.839  -1.594   2.854
  340    HA   GLU  45           HA       GLU  45  -5.937  -4.193   3.833
  341   1HB   GLU  45           HB2      GLU  45  -4.083  -2.726   4.376
  342   2HB   GLU  45           HB1      GLU  45  -5.141  -1.673   5.310
  343   1HG   GLU  45           HG2      GLU  45  -5.478  -3.335   6.995
  344   2HG   GLU  45           HG1      GLU  45  -4.811  -4.608   5.976
  345    H    LYS  46           HN       LYS  46  -7.978  -1.512   4.665
  346    HA   LYS  46           HA       LYS  46  -9.111  -2.833   7.025
  347   1HB   LYS  46           HB2      LYS  46  -8.924  -0.243   6.384
  348   2HB   LYS  46           HB1      LYS  46 -10.504  -0.560   5.678
  349   1HG   LYS  46           HG2      LYS  46 -11.136  -0.026   7.849
  350   2HG   LYS  46           HG1      LYS  46 -10.931  -1.765   8.017
  351   1HD   LYS  46           HD2      LYS  46  -8.606  -1.405   8.812
  352   2HD   LYS  46           HD1      LYS  46  -8.825   0.333   8.653
  353   1HE   LYS  46           HE2      LYS  46 -10.865   0.036  10.210
  354   2HE   LYS  46           HE1      LYS  46 -10.205  -1.554  10.568
  355   1HZ   LYS  46           HZ2      LYS  46  -8.400   0.734  10.736
  356   2HZ   LYS  46           HZ1      LYS  46  -9.562   0.555  11.962
  357   3HZ   LYS  46           HZ3      LYS  46  -8.443  -0.687  11.664
  358    H    HIS  47           HN       HIS  47  -9.223  -4.014   4.233
  359    HA   HIS  47           HA       HIS  47 -12.121  -4.685   4.325
  360   1HB   HIS  47           HB2      HIS  47 -11.387  -2.887   2.521
  361   2HB   HIS  47           HB1      HIS  47 -10.841  -4.314   1.645
  362    HD1  HIS  47           HD1      HIS  47 -13.955  -3.113   3.267
  363    HD2  HIS  47           HD2      HIS  47 -12.827  -5.664   0.321
  364    HE1  HIS  47           HE1      HIS  47 -16.033  -3.864   2.262
  365    H    LEU  48           HN       LEU  48  -8.951  -5.418   2.922
  366    HA   LEU  48           HA       LEU  48  -9.416  -7.945   1.846
  367   1HB   LEU  48           HB2      LEU  48  -7.059  -6.742   3.258
  368   2HB   LEU  48           HB1      LEU  48  -7.011  -8.439   2.796
  369    HG   LEU  48           HG       LEU  48  -7.941  -6.469   0.744
  370   1HD1  LEU  48          HD12      LEU  48  -5.135  -6.714   1.820
  371   2HD1  LEU  48          HD11      LEU  48  -5.398  -6.333   0.122
  372   3HD1  LEU  48          HD13      LEU  48  -6.019  -5.260   1.373
  373   1HD2  LEU  48          HD23      LEU  48  -7.886  -8.932   0.342
  374   2HD2  LEU  48          HD22      LEU  48  -6.805  -8.065  -0.743
  375   3HD2  LEU  48          HD21      LEU  48  -6.153  -8.926   0.648
  376    H    ALA  49           HN       ALA  49  -8.950 -10.100   2.752
  377    HA   ALA  49           HA       ALA  49  -9.121 -10.435   5.654
  378   1HB   ALA  49           HB3      ALA  49 -11.515 -10.002   4.609
  379   2HB   ALA  49           HB2      ALA  49 -11.381 -11.696   4.152
  380   3HB   ALA  49           HB1      ALA  49 -11.291 -11.233   5.847
  381    H    LYS  50           HN       LYS  50  -8.350 -11.483   2.585
  382    HA   LYS  50           HA       LYS  50  -8.158 -14.343   3.357
  383   1HB   LYS  50           HB2      LYS  50  -8.906 -13.304   1.016
  384   2HB   LYS  50           HB1      LYS  50  -7.171 -13.333   0.724
  385   1HG   LYS  50           HG2      LYS  50  -7.728 -15.471   0.010
  386   2HG   LYS  50           HG1      LYS  50  -7.397 -15.803   1.705
  387   1HD   LYS  50           HD2      LYS  50  -9.820 -15.527   2.210
  388   2HD   LYS  50           HD1      LYS  50 -10.131 -15.246   0.502
  389   1HE   LYS  50           HE2      LYS  50  -9.029 -17.507   0.060
  390   2HE   LYS  50           HE1      LYS  50  -9.085 -17.777   1.798
  391   1HZ   LYS  50           HZ1      LYS  50 -11.425 -17.221   0.062
  392   2HZ   LYS  50           HZ3      LYS  50 -10.993 -18.737   0.692
  393   3HZ   LYS  50           HZ2      LYS  50 -11.474 -17.489   1.738
  394    H    ALA  51           HN       ALA  51  -6.223 -11.511   2.993
  395    HA   ALA  51           HA       ALA  51  -3.663 -12.605   2.536
  396   1HB   ALA  51           HB2      ALA  51  -4.710 -10.099   3.270
  397   2HB   ALA  51           HB1      ALA  51  -3.534 -10.501   4.518
  398   3HB   ALA  51           HB3      ALA  51  -3.045 -10.459   2.827
   
 Raw file had 398 H/Q atoms
  Start of MODEL   13
    1    OH   TYR   1           OH       TYR   1   2.708  12.817 -30.328
    2   1H    TYR   1           HT3      TYR   1   4.950  11.281 -23.570
    3   2H    TYR   1           HT2      TYR   1   4.702  11.561 -25.226
    4   3H    TYR   1           HT1      TYR   1   5.176  12.837 -24.210
    5    HA   TYR   1           HA       TYR   1   2.993  13.316 -24.263
    6   1HB   TYR   1           HB2      TYR   1   2.552  10.354 -24.714
    7   2HB   TYR   1           HB1      TYR   1   1.239  11.510 -24.519
    8    HD1  TYR   1           HD2      TYR   1   0.870  13.273 -26.216
    9    HD2  TYR   1           HD1      TYR   1   3.920  10.353 -26.729
   10    HE1  TYR   1           HE2      TYR   1   1.062  13.889 -28.581
   11    HE2  TYR   1           HE1      TYR   1   4.112  10.970 -29.094
   12    HH   TYR   1           HH       TYR   1   2.099  13.539 -30.496
   13    H    ALA   2           HN       ALA   2   1.527  10.685 -22.931
   14    HA   ALA   2           HA       ALA   2   1.720  11.849 -20.234
   15   1HB   ALA   2           HB3      ALA   2  -0.449  11.045 -21.295
   16   2HB   ALA   2           HB2      ALA   2   0.153   9.404 -21.073
   17   3HB   ALA   2           HB1      ALA   2  -0.131  10.434 -19.674
   18    H    SER   3           HN       SER   3   4.039  11.244 -20.069
   19    HA   SER   3           HA       SER   3   4.277   8.651 -18.706
   20   1HB   SER   3           HB2      SER   3   6.001   9.312 -21.110
   21   2HB   SER   3           HB1      SER   3   6.177   7.884 -20.070
   22    HG   SER   3           HG1      SER   3   4.716   7.853 -22.074
   23    H    LEU   4           HN       LEU   4   6.751  10.654 -20.147
   24    HA   LEU   4           HA       LEU   4   8.527  10.791 -18.042
   25   1HB   LEU   4           HB2      LEU   4   9.098  13.135 -18.907
   26   2HB   LEU   4           HB1      LEU   4   9.163  11.829 -20.084
   27    HG   LEU   4           HG       LEU   4   6.486  13.007 -19.851
   28   1HD1  LEU   4          HD11      LEU   4   8.812  14.722 -20.789
   29   2HD1  LEU   4          HD13      LEU   4   7.113  15.111 -21.039
   30   3HD1  LEU   4          HD12      LEU   4   7.772  15.054 -19.408
   31   1HD2  LEU   4          HD21      LEU   4   7.408  11.443 -21.640
   32   2HD2  LEU   4          HD23      LEU   4   6.603  12.883 -22.255
   33   3HD2  LEU   4          HD22      LEU   4   8.361  12.802 -22.225
   34    H    GLU   5           HN       GLU   5   8.600  11.683 -16.067
   35    HA   GLU   5           HA       GLU   5   6.397  12.525 -14.621
   36   1HB   GLU   5           HB2      GLU   5   8.068  13.834 -13.192
   37   2HB   GLU   5           HB1      GLU   5   8.421  12.127 -13.432
   38   1HG   GLU   5           HG2      GLU   5  10.330  12.587 -14.572
   39   2HG   GLU   5           HG1      GLU   5   9.532  13.802 -15.566
   40    H    GLU   6           HN       GLU   6   5.005  13.888 -15.723
   41    HA   GLU   6           HA       GLU   6   5.875  16.358 -16.956
   42   1HB   GLU   6           HB2      GLU   6   3.363  16.863 -16.891
   43   2HB   GLU   6           HB1      GLU   6   3.848  15.425 -17.780
   44   1HG   GLU   6           HG2      GLU   6   3.075  13.971 -16.112
   45   2HG   GLU   6           HG1      GLU   6   3.190  15.197 -14.853
   46    H    GLN   7           HN       GLN   7   4.182  18.295 -16.079
   47    HA   GLN   7           HA       GLN   7   5.452  19.073 -13.557
   48   1HB   GLN   7           HB2      GLN   7   3.359  20.486 -15.231
   49   2HB   GLN   7           HB1      GLN   7   4.239  21.199 -13.884
   50   1HG   GLN   7           HG2      GLN   7   6.377  20.475 -15.200
   51   2HG   GLN   7           HG1      GLN   7   5.291  20.350 -16.581
   52   1HE2  GLN   7          HE22      GLN   7   5.844  23.790 -17.120
   53   2HE2  GLN   7          HE21      GLN   7   5.977  22.212 -17.733
   54    H    ASN   8           HN       ASN   8   4.412  17.198 -12.411
   55    HA   ASN   8           HA       ASN   8   1.897  18.149 -11.159
   56   1HB   ASN   8           HB2      ASN   8   1.696  16.297 -13.125
   57   2HB   ASN   8           HB1      ASN   8   1.962  15.242 -11.739
   58   1HD2  ASN   8          HD22      ASN   8  -0.996  16.983 -10.116
   59   2HD2  ASN   8          HD21      ASN   8   0.669  17.032  -9.792
   60    H    ASN   9           HN       ASN   9   4.869  16.470 -11.049
   61    HA   ASN   9           HA       ASN   9   5.995  15.359  -9.296
   62   1HB   ASN   9           HB2      ASN   9   4.443  17.422  -7.706
   63   2HB   ASN   9           HB1      ASN   9   5.891  16.577  -7.161
   64   1HD2  ASN   9          HD22      ASN   9   7.779  18.263  -9.948
   65   2HD2  ASN   9          HD21      ASN   9   7.374  16.648  -9.620
   66    H    ASP  10           HN       ASP  10   4.687  13.413  -9.661
   67    HA   ASP  10           HA       ASP  10   3.175  12.728  -7.205
   68   1HB   ASP  10           HB2      ASP  10   1.235  11.976  -8.338
   69   2HB   ASP  10           HB1      ASP  10   1.601  13.525  -9.091
   70    H    ALA  11           HN       ALA  11   3.366  10.593  -6.625
   71    HA   ALA  11           HA       ALA  11   4.474   8.645  -8.539
   72   1HB   ALA  11           HB3      ALA  11   6.048   9.895  -6.351
   73   2HB   ALA  11           HB2      ALA  11   6.223   8.155  -6.548
   74   3HB   ALA  11           HB1      ALA  11   6.594   9.234  -7.889
   75    H    LEU  12           HN       LEU  12   3.034   7.052  -8.252
   76    HA   LEU  12           HA       LEU  12   1.993   6.482  -5.541
   77   1HB   LEU  12           HB2      LEU  12   1.205   5.756  -8.327
   78   2HB   LEU  12           HB1      LEU  12   0.731   4.669  -7.028
   79    HG   LEU  12           HG       LEU  12   0.284   7.619  -6.682
   80   1HD1  LEU  12          HD11      LEU  12  -1.358   5.720  -8.379
   81   2HD1  LEU  12          HD13      LEU  12  -2.030   7.195  -7.691
   82   3HD1  LEU  12          HD12      LEU  12  -0.704   7.287  -8.845
   83   1HD2  LEU  12          HD22      LEU  12  -0.115   5.567  -5.017
   84   2HD2  LEU  12          HD21      LEU  12  -1.232   6.926  -5.066
   85   3HD2  LEU  12          HD23      LEU  12  -1.620   5.436  -5.920
   86    H    SER  13           HN       SER  13   2.018   4.306  -4.689
   87    HA   SER  13           HA       SER  13   4.580   3.080  -4.797
   88   1HB   SER  13           HB2      SER  13   2.123   2.724  -3.343
   89   2HB   SER  13           HB1      SER  13   2.775   1.147  -3.833
   90    HG   SER  13           HG1      SER  13   4.123   1.511  -2.243
   91    HA   PRO  14           HA       PRO  14   3.727   0.901  -8.712
   92   1HB   PRO  14           HB2      PRO  14   6.159  -0.609  -8.464
   93   2HB   PRO  14           HB1      PRO  14   5.813   0.723  -9.569
   94   1HG   PRO  14           HG2      PRO  14   7.521   0.773  -7.239
   95   2HG   PRO  14           HG1      PRO  14   7.153   2.111  -8.329
   96   1HD   PRO  14           HD1      PRO  14   6.204   1.701  -5.625
   97   2HD   PRO  14           HD2      PRO  14   5.868   3.070  -6.706
   98    H    ALA  15           HN       ALA  15   4.068  -0.257  -5.574
   99    HA   ALA  15           HA       ALA  15   3.524  -3.079  -6.329
  100   1HB   ALA  15           HB1      ALA  15   4.672  -1.715  -4.004
  101   2HB   ALA  15           HB3      ALA  15   3.505  -2.959  -3.566
  102   3HB   ALA  15           HB2      ALA  15   4.901  -3.372  -4.556
  103    H    ILE  16           HN       ILE  16   1.844  -0.276  -5.654
  104    HA   ILE  16           HA       ILE  16  -0.370  -1.486  -4.174
  105    HB   ILE  16           HB       ILE  16   0.414   1.018  -4.230
  106   1HG1  ILE  16          HG12      ILE  16  -2.516   0.228  -4.383
  107   2HG1  ILE  16          HG11      ILE  16  -1.513   0.149  -2.939
  108   1HG2  ILE  16          HG22      ILE  16   0.022   0.972  -6.810
  109   2HG2  ILE  16          HG21      ILE  16  -1.679   1.154  -6.394
  110   3HG2  ILE  16          HG23      ILE  16  -0.517   2.384  -5.906
  111   1HD1  ILE  16           HD3      ILE  16  -1.061   2.662  -3.322
  112   2HD1  ILE  16           HD2      ILE  16  -2.409   2.610  -4.455
  113   3HD1  ILE  16           HD1      ILE  16  -2.672   2.224  -2.757
  114    NH1  ARG  17           NH2      ARG  17  -2.027   2.518 -12.936
  115    NH2  ARG  17           NH1      ARG  17   0.038   2.241 -13.874
  116    H    ARG  17           HN       ARG  17   0.507  -1.019  -7.486
  117    HA   ARG  17           HA       ARG  17  -2.158  -1.299  -8.592
  118   1HB   ARG  17           HB2      ARG  17   0.613  -1.590  -9.756
  119   2HB   ARG  17           HB1      ARG  17  -0.839  -1.848 -10.715
  120   1HG   ARG  17           HG2      ARG  17  -1.627   0.431 -10.109
  121   2HG   ARG  17           HG1      ARG  17  -0.145   0.687  -9.194
  122   1HD   ARG  17           HD2      ARG  17   1.208   0.550 -11.177
  123   2HD   ARG  17           HD1      ARG  17  -0.142  -0.058 -12.134
  124    HE   ARG  17           HE       ARG  17  -0.137   2.713 -11.003
  125   1HH1  ARG  17          HH21      ARG  17  -2.603   2.520 -12.119
  126   2HH1  ARG  17          HH22      ARG  17  -2.427   2.719 -13.831
  127   1HH2  ARG  17          HH11      ARG  17   1.009   2.035 -13.761
  128   2HH2  ARG  17          HH12      ARG  17  -0.328   2.437 -14.784
  129    NH1  ARG  18           NH1      ARG  18   4.502  -6.501  -6.161
  130    NH2  ARG  18           NH2      ARG  18   6.150  -6.162  -7.706
  131    H    ARG  18           HN       ARG  18   0.574  -3.526  -8.162
  132    HA   ARG  18           HA       ARG  18  -0.775  -5.822  -9.241
  133   1HB   ARG  18           HB2      ARG  18   1.457  -5.740  -7.195
  134   2HB   ARG  18           HB1      ARG  18   1.014  -7.119  -8.194
  135   1HG   ARG  18           HG2      ARG  18   1.527  -5.794 -10.231
  136   2HG   ARG  18           HG1      ARG  18   2.000  -4.435  -9.218
  137   1HD   ARG  18           HD2      ARG  18   3.273  -7.154  -8.861
  138   2HD   ARG  18           HD1      ARG  18   3.883  -6.014 -10.061
  139    HE   ARG  18           HE       ARG  18   3.924  -4.415  -7.925
  140   1HH1  ARG  18          HH11      ARG  18   3.550  -6.372  -5.882
  141   2HH1  ARG  18          HH12      ARG  18   5.134  -6.997  -5.567
  142   1HH2  ARG  18          HH21      ARG  18   6.434  -5.780  -8.585
  143   2HH2  ARG  18          HH22      ARG  18   6.810  -6.653  -7.137
  144    H    LEU  19           HN       LEU  19  -1.467  -4.056  -6.538
  145    HA   LEU  19           HA       LEU  19  -2.197  -6.279  -4.770
  146   1HB   LEU  19           HB2      LEU  19  -1.461  -3.961  -4.003
  147   2HB   LEU  19           HB1      LEU  19  -3.047  -3.392  -4.510
  148    HG   LEU  19           HG       LEU  19  -3.793  -5.550  -3.054
  149   1HD1  LEU  19          HD13      LEU  19  -1.399  -6.029  -2.478
  150   2HD1  LEU  19          HD12      LEU  19  -1.313  -4.464  -1.676
  151   3HD1  LEU  19          HD11      LEU  19  -2.389  -5.712  -1.056
  152   1HD2  LEU  19          HD22      LEU  19  -3.111  -2.790  -1.979
  153   2HD2  LEU  19          HD21      LEU  19  -4.623  -3.251  -2.757
  154   3HD2  LEU  19          HD23      LEU  19  -4.191  -3.938  -1.194
  155    H    LEU  20           HN       LEU  20  -4.034  -3.710  -6.423
  156    HA   LEU  20           HA       LEU  20  -6.611  -4.780  -5.915
  157   1HB   LEU  20           HB2      LEU  20  -5.648  -3.154  -8.282
  158   2HB   LEU  20           HB1      LEU  20  -7.338  -3.420  -7.869
  159    HG   LEU  20           HG       LEU  20  -5.589  -2.419  -5.676
  160   1HD1  LEU  20          HD11      LEU  20  -6.392  -0.766  -8.091
  161   2HD1  LEU  20          HD13      LEU  20  -5.920  -0.058  -6.549
  162   3HD1  LEU  20          HD12      LEU  20  -4.765  -1.017  -7.470
  163   1HD2  LEU  20          HD21      LEU  20  -8.116  -2.877  -5.608
  164   2HD2  LEU  20          HD23      LEU  20  -7.603  -1.295  -5.031
  165   3HD2  LEU  20          HD22      LEU  20  -8.297  -1.463  -6.640
  166    H    ALA  21           HN       ALA  21  -4.223  -5.588  -8.331
  167    HA   ALA  21           HA       ALA  21  -6.048  -7.211  -9.928
  168   1HB   ALA  21           HB1      ALA  21  -3.142  -6.576  -9.949
  169   2HB   ALA  21           HB3      ALA  21  -3.633  -8.083 -10.715
  170   3HB   ALA  21           HB2      ALA  21  -4.304  -6.553 -11.271
  171    H    GLU  22           HN       GLU  22  -4.565  -7.634  -6.963
  172    HA   GLU  22           HA       GLU  22  -4.271 -10.570  -7.262
  173   1HB   GLU  22           HB2      GLU  22  -2.684  -8.931  -5.942
  174   2HB   GLU  22           HB1      GLU  22  -3.881  -9.119  -4.667
  175   1HG   GLU  22           HG2      GLU  22  -2.403 -10.891  -4.217
  176   2HG   GLU  22           HG1      GLU  22  -3.641 -11.686  -5.186
  177    H    HIS  23           HN       HIS  23  -6.105  -8.214  -5.349
  178    HA   HIS  23           HA       HIS  23  -7.854 -10.402  -4.359
  179   1HB   HIS  23           HB2      HIS  23  -8.155  -7.499  -3.630
  180   2HB   HIS  23           HB1      HIS  23  -8.564  -8.923  -2.679
  181    HD1  HIS  23           HD1      HIS  23  -6.116 -10.394  -2.477
  182    HD2  HIS  23           HD2      HIS  23  -5.944  -6.340  -2.546
  183    HE1  HIS  23           HE1      HIS  23  -3.972  -9.844  -1.480
  184    H    ASN  24           HN       ASN  24  -7.791  -7.793  -6.613
  185    HA   ASN  24           HA       ASN  24  -9.358  -7.162  -8.249
  186   1HB   ASN  24           HB2      ASN  24  -9.696  -9.817  -8.066
  187   2HB   ASN  24           HB1      ASN  24 -11.268  -9.306  -7.456
  188   1HD2  ASN  24          HD22      ASN  24 -10.331  -8.759 -11.389
  189   2HD2  ASN  24          HD21      ASN  24  -9.155  -9.294 -10.288
  190    H    LEU  25           HN       LEU  25  -9.437  -6.015  -5.664
  191    HA   LEU  25           HA       LEU  25 -12.339  -5.722  -5.085
  192   1HB   LEU  25           HB2      LEU  25  -9.815  -5.134  -3.584
  193   2HB   LEU  25           HB1      LEU  25 -11.269  -4.238  -3.169
  194    HG   LEU  25           HG       LEU  25 -11.167  -7.272  -3.345
  195   1HD1  LEU  25          HD13      LEU  25  -9.647  -6.371  -1.570
  196   2HD1  LEU  25          HD12      LEU  25 -11.020  -5.517  -0.872
  197   3HD1  LEU  25          HD11      LEU  25 -11.002  -7.277  -0.906
  198   1HD2  LEU  25          HD22      LEU  25 -13.290  -5.323  -2.988
  199   2HD2  LEU  25          HD21      LEU  25 -13.413  -7.072  -3.135
  200   3HD2  LEU  25          HD23      LEU  25 -13.156  -6.337  -1.558
  201    H    ASP  26           HN       ASP  26 -13.379  -3.732  -5.189
  202    HA   ASP  26           HA       ASP  26 -12.114  -1.790  -7.019
  203   1HB   ASP  26           HB2      ASP  26 -14.683  -2.724  -6.804
  204   2HB   ASP  26           HB1      ASP  26 -14.797  -1.175  -5.973
  205    H    ALA  27           HN       ALA  27 -11.465   0.226  -6.451
  206    HA   ALA  27           HA       ALA  27 -11.313   0.825  -3.573
  207   1HB   ALA  27           HB3      ALA  27  -9.961   1.726  -6.030
  208   2HB   ALA  27           HB2      ALA  27 -10.243   3.006  -4.854
  209   3HB   ALA  27           HB1      ALA  27  -9.330   1.573  -4.393
  210    H    SER  28           HN       SER  28 -13.219   1.711  -6.299
  211    HA   SER  28           HA       SER  28 -14.103   4.297  -5.563
  212   1HB   SER  28           HB2      SER  28 -15.344   2.038  -7.117
  213   2HB   SER  28           HB1      SER  28 -16.296   3.491  -6.756
  214    HG   SER  28           HG1      SER  28 -15.188   4.401  -8.287
  215    H    ALA  29           HN       ALA  29 -14.921   1.162  -4.288
  216    HA   ALA  29           HA       ALA  29 -17.204   2.190  -2.749
  217   1HB   ALA  29           HB3      ALA  29 -16.883  -0.211  -3.710
  218   2HB   ALA  29           HB2      ALA  29 -15.885  -0.473  -2.282
  219   3HB   ALA  29           HB1      ALA  29 -17.582  -0.035  -2.102
  220    H    ILE  30           HN       ILE  30 -13.813   1.776  -2.346
  221    HA   ILE  30           HA       ILE  30 -13.984   1.963   0.601
  222    HB   ILE  30           HB       ILE  30 -11.524   1.916  -1.171
  223   1HG1  ILE  30          HG12      ILE  30 -12.796  -0.110  -1.589
  224   2HG1  ILE  30          HG11      ILE  30 -11.441  -0.528  -0.554
  225   1HG2  ILE  30          HG22      ILE  30 -11.963   2.152   1.708
  226   2HG2  ILE  30          HG21      ILE  30 -10.973   0.752   1.319
  227   3HG2  ILE  30          HG23      ILE  30 -10.479   2.353   0.787
  228   1HD1  ILE  30           HD2      ILE  30 -13.153  -0.080   1.404
  229   2HD1  ILE  30           HD1      ILE  30 -14.363  -0.308   0.149
  230   3HD1  ILE  30           HD3      ILE  30 -13.231  -1.602   0.525
  231    H    LYS  31           HN       LYS  31 -13.744   3.817   1.702
  232    HA   LYS  31           HA       LYS  31 -13.342   6.303   0.160
  233   1HB   LYS  31           HB2      LYS  31 -13.977   5.893   3.094
  234   2HB   LYS  31           HB1      LYS  31 -14.001   7.433   2.244
  235   1HG   LYS  31           HG2      LYS  31 -15.568   5.585   0.729
  236   2HG   LYS  31           HG1      LYS  31 -16.083   5.469   2.407
  237   1HD   LYS  31           HD2      LYS  31 -16.329   7.939   2.491
  238   2HD   LYS  31           HD1      LYS  31 -15.840   8.037   0.803
  239   1HE   LYS  31           HE2      LYS  31 -17.779   6.768   0.097
  240   2HE   LYS  31           HE1      LYS  31 -18.209   6.405   1.763
  241   1HZ   LYS  31           HZ2      LYS  31 -18.083   9.104   1.740
  242   2HZ   LYS  31           HZ1      LYS  31 -18.730   8.758   0.208
  243   3HZ   LYS  31           HZ3      LYS  31 -19.505   8.184   1.606
  244    H    GLY  32           HN       GLY  32 -11.813   7.928   0.866
  245   1HA   GLY  32           HA2      GLY  32  -9.271   6.685   1.730
  246   2HA   GLY  32           HA1      GLY  32  -9.446   8.296   1.038
  247    H    THR  33           HN       THR  33  -7.899   7.886   3.289
  248    HA   THR  33           HA       THR  33  -9.410   9.501   5.265
  249    HB   THR  33           HB       THR  33  -8.251   7.940   7.076
  250    HG1  THR  33           HG1      THR  33  -7.169   6.491   5.941
  251   1HG2  THR  33          HG23      THR  33 -10.776   8.070   6.530
  252   2HG2  THR  33          HG22      THR  33 -10.492   6.729   5.424
  253   3HG2  THR  33          HG21      THR  33 -10.204   6.524   7.149
  254    H    GLY  34           HN       GLY  34  -7.115   9.789   3.317
  255   1HA   GLY  34           HA2      GLY  34  -4.779  10.217   5.037
  256   2HA   GLY  34           HA1      GLY  34  -4.878  10.587   3.318
  257    H    VAL  35           HN       VAL  35  -3.809  12.601   3.895
  258    HA   VAL  35           HA       VAL  35  -5.204  14.538   5.567
  259    HB   VAL  35           HB       VAL  35  -2.954  14.974   3.584
  260   1HG1  VAL  35          HG12      VAL  35  -4.530  16.756   5.200
  261   2HG1  VAL  35          HG11      VAL  35  -2.889  16.721   5.837
  262   3HG1  VAL  35          HG13      VAL  35  -3.171  17.150   4.152
  263   1HG2  VAL  35          HG23      VAL  35  -2.908  14.399   6.568
  264   2HG2  VAL  35          HG22      VAL  35  -2.377  13.294   5.304
  265   3HG2  VAL  35          HG21      VAL  35  -1.500  14.795   5.589
  266    H    GLY  36           HN       GLY  36  -7.217  13.998   4.126
  267   1HA   GLY  36           HA2      GLY  36  -8.357  16.108   2.966
  268   2HA   GLY  36           HA1      GLY  36  -7.258  15.655   1.667
  269    H    GLY  37           HN       GLY  37  -7.527  12.785   2.355
  270   1HA   GLY  37           HA2      GLY  37  -9.614  11.293   2.421
  271   2HA   GLY  37           HA1      GLY  37 -10.234  12.339   1.149
  272    NH1  ARG  38           NH2      ARG  38  -1.522  14.248  -0.031
  273    NH2  ARG  38           NH1      ARG  38  -3.078  15.916  -0.177
  274    H    ARG  38           HN       ARG  38  -6.867  11.725   1.082
  275    HA   ARG  38           HA       ARG  38  -6.984  10.518  -1.516
  276   1HB   ARG  38           HB2      ARG  38  -4.834  10.914   0.539
  277   2HB   ARG  38           HB1      ARG  38  -4.519   9.887  -0.855
  278   1HG   ARG  38           HG2      ARG  38  -4.938  11.673  -2.390
  279   2HG   ARG  38           HG1      ARG  38  -5.666  12.674  -1.139
  280   1HD   ARG  38           HD2      ARG  38  -2.928  11.821  -0.484
  281   2HD   ARG  38           HD1      ARG  38  -3.019  12.812  -1.939
  282    HE   ARG  38           HE       ARG  38  -4.539  13.887   0.322
  283   1HH1  ARG  38          HH21      ARG  38  -1.315  13.271   0.002
  284   2HH1  ARG  38          HH22      ARG  38  -0.781  14.918   0.011
  285   1HH2  ARG  38          HH11      ARG  38  -4.038  16.187  -0.254
  286   2HH2  ARG  38          HH12      ARG  38  -2.363  16.613  -0.138
  287    H    LEU  39           HN       LEU  39  -6.268   8.356  -2.095
  288    HA   LEU  39           HA       LEU  39  -7.312   6.355  -0.172
  289   1HB   LEU  39           HB2      LEU  39  -8.256   6.175  -2.377
  290   2HB   LEU  39           HB1      LEU  39  -6.669   6.240  -3.128
  291    HG   LEU  39           HG       LEU  39  -6.082   4.056  -2.268
  292   1HD1  LEU  39          HD11      LEU  39  -8.582   4.431  -0.608
  293   2HD1  LEU  39          HD13      LEU  39  -7.918   2.827  -0.901
  294   3HD1  LEU  39          HD12      LEU  39  -6.957   4.037  -0.059
  295   1HD2  LEU  39          HD23      LEU  39  -7.984   4.427  -4.146
  296   2HD2  LEU  39          HD22      LEU  39  -7.456   2.824  -3.646
  297   3HD2  LEU  39          HD21      LEU  39  -8.927   3.516  -2.972
  298    H    THR  40           HN       THR  40  -5.788   5.669   1.220
  299    HA   THR  40           HA       THR  40  -3.002   5.307   0.267
  300    HB   THR  40           HB       THR  40  -2.578   4.856   2.762
  301    HG1  THR  40           HG1      THR  40  -5.287   4.863   2.513
  302   1HG2  THR  40          HG21      THR  40  -3.616   7.383   1.580
  303   2HG2  THR  40          HG23      THR  40  -3.693   7.292   3.336
  304   3HG2  THR  40          HG22      THR  40  -2.147   7.118   2.513
  305    NH1  ARG  41           NH2      ARG  41   2.127  -1.398  -1.380
  306    NH2  ARG  41           NH1      ARG  41   1.385  -3.496  -0.861
  307    H    ARG  41           HN       ARG  41  -2.173   3.272   1.948
  308    HA   ARG  41           HA       ARG  41  -3.439   0.941   0.618
  309   1HB   ARG  41           HB2      ARG  41  -0.942   1.283   0.567
  310   2HB   ARG  41           HB1      ARG  41  -0.928   1.011   2.306
  311   1HG   ARG  41           HG2      ARG  41  -1.856  -1.222   2.019
  312   2HG   ARG  41           HG1      ARG  41  -2.070  -0.952   0.293
  313   1HD   ARG  41           HD2      ARG  41   0.667  -0.377   1.035
  314   2HD   ARG  41           HD1      ARG  41   0.227  -1.993   1.584
  315    HE   ARG  41           HE       ARG  41  -0.693  -1.656  -1.101
  316   1HH1  ARG  41          HH21      ARG  41   1.958  -0.413  -1.409
  317   2HH1  ARG  41          HH22      ARG  41   2.999  -1.766  -1.704
  318   1HH2  ARG  41          HH11      ARG  41   0.660  -4.083  -0.501
  319   2HH2  ARG  41          HH12      ARG  41   2.244  -3.899  -1.178
  320    H    GLU  42           HN       GLU  42  -2.936   2.347   3.772
  321    HA   GLU  42           HA       GLU  42  -3.778   0.006   5.268
  322   1HB   GLU  42           HB2      GLU  42  -2.412   2.079   6.067
  323   2HB   GLU  42           HB1      GLU  42  -3.990   2.821   6.304
  324   1HG   GLU  42           HG2      GLU  42  -4.455   0.438   7.490
  325   2HG   GLU  42           HG1      GLU  42  -2.721   0.560   7.773
  326    H    ASP  43           HN       ASP  43  -5.455   1.835   3.175
  327    HA   ASP  43           HA       ASP  43  -7.958   1.926   4.778
  328   1HB   ASP  43           HB2      ASP  43  -7.299   3.006   2.025
  329   2HB   ASP  43           HB1      ASP  43  -8.863   3.178   2.818
  330    H    VAL  44           HN       VAL  44  -6.422   0.186   2.206
  331    HA   VAL  44           HA       VAL  44  -8.952  -1.167   1.464
  332    HB   VAL  44           HB       VAL  44  -6.145  -1.514   0.375
  333   1HG1  VAL  44          HG13      VAL  44  -8.855  -2.616  -0.403
  334   2HG1  VAL  44          HG12      VAL  44  -7.527  -2.527  -1.556
  335   3HG1  VAL  44          HG11      VAL  44  -7.366  -3.507  -0.102
  336   1HG2  VAL  44          HG22      VAL  44  -8.550   0.032  -0.655
  337   2HG2  VAL  44          HG21      VAL  44  -7.046   0.731  -0.064
  338   3HG2  VAL  44          HG23      VAL  44  -7.054  -0.213  -1.551
  339    H    GLU  45           HN       GLU  45  -5.727  -1.998   2.715
  340    HA   GLU  45           HA       GLU  45  -5.952  -4.731   3.021
  341   1HB   GLU  45           HB2      GLU  45  -4.187  -4.560   4.480
  342   2HB   GLU  45           HB1      GLU  45  -4.127  -2.950   3.796
  343   1HG   GLU  45           HG2      GLU  45  -5.719  -2.265   5.717
  344   2HG   GLU  45           HG1      GLU  45  -5.284  -3.804   6.461
  345    H    LYS  46           HN       LYS  46  -7.692  -2.268   4.735
  346    HA   LYS  46           HA       LYS  46  -8.693  -4.178   6.752
  347   1HB   LYS  46           HB2      LYS  46  -8.180  -1.687   7.175
  348   2HB   LYS  46           HB1      LYS  46  -9.686  -1.362   6.324
  349   1HG   LYS  46           HG2      LYS  46 -10.555  -1.576   8.447
  350   2HG   LYS  46           HG1      LYS  46 -10.562  -3.279   8.005
  351   1HD   LYS  46           HD2      LYS  46  -8.112  -3.274   8.931
  352   2HD   LYS  46           HD1      LYS  46  -8.602  -1.792   9.745
  353   1HE   LYS  46           HE2      LYS  46 -10.601  -3.064  10.652
  354   2HE   LYS  46           HE1      LYS  46  -9.876  -4.531  10.007
  355   1HZ   LYS  46           HZ2      LYS  46  -8.191  -2.833  11.672
  356   2HZ   LYS  46           HZ1      LYS  46  -9.428  -3.697  12.451
  357   3HZ   LYS  46           HZ3      LYS  46  -8.250  -4.526  11.551
  358    H    HIS  47           HN       HIS  47  -9.280  -4.798   4.034
  359    HA   HIS  47           HA       HIS  47 -12.246  -4.780   4.203
  360   1HB   HIS  47           HB2      HIS  47 -11.133  -2.947   2.615
  361   2HB   HIS  47           HB1      HIS  47 -11.039  -4.317   1.511
  362    HD1  HIS  47           HD1      HIS  47 -13.674  -2.827   3.678
  363    HD2  HIS  47           HD2      HIS  47 -13.328  -4.661   0.075
  364    HE1  HIS  47           HE1      HIS  47 -15.915  -2.801   2.747
  365    H    LEU  48           HN       LEU  48  -9.596  -6.562   4.108
  366    HA   LEU  48           HA       LEU  48 -10.475  -8.516   2.068
  367   1HB   LEU  48           HB2      LEU  48  -8.167  -8.893   3.965
  368   2HB   LEU  48           HB1      LEU  48  -8.374  -9.546   2.344
  369    HG   LEU  48           HG       LEU  48  -7.871  -6.647   3.089
  370   1HD1  LEU  48          HD12      LEU  48  -5.890  -8.152   3.060
  371   2HD1  LEU  48          HD11      LEU  48  -6.297  -8.638   1.418
  372   3HD1  LEU  48          HD13      LEU  48  -5.825  -6.975   1.752
  373   1HD2  LEU  48          HD23      LEU  48  -8.776  -7.963   0.533
  374   2HD2  LEU  48          HD22      LEU  48  -9.345  -6.465   1.264
  375   3HD2  LEU  48          HD21      LEU  48  -7.776  -6.516   0.468
  376    H    ALA  49           HN       ALA  49  -9.868 -10.909   3.124
  377    HA   ALA  49           HA       ALA  49 -10.876 -11.338   5.792
  378   1HB   ALA  49           HB1      ALA  49 -12.775 -11.870   3.492
  379   2HB   ALA  49           HB3      ALA  49 -13.020 -12.440   5.140
  380   3HB   ALA  49           HB2      ALA  49 -13.012 -10.713   4.798
  381    H    LYS  50           HN       LYS  50  -9.051 -12.689   5.868
  382    HA   LYS  50           HA       LYS  50  -9.015 -15.033   4.044
  383   1HB   LYS  50           HB2      LYS  50  -6.922 -13.708   4.513
  384   2HB   LYS  50           HB1      LYS  50  -7.006 -14.279   6.177
  385   1HG   LYS  50           HG2      LYS  50  -6.967 -16.628   5.344
  386   2HG   LYS  50           HG1      LYS  50  -6.808 -16.025   3.699
  387   1HD   LYS  50           HD2      LYS  50  -4.707 -14.859   4.351
  388   2HD   LYS  50           HD1      LYS  50  -4.859 -15.523   5.974
  389   1HE   LYS  50           HE2      LYS  50  -5.067 -17.819   4.631
  390   2HE   LYS  50           HE1      LYS  50  -4.178 -16.915   3.411
  391   1HZ   LYS  50           HZ3      LYS  50  -3.302 -17.038   6.232
  392   2HZ   LYS  50           HZ2      LYS  50  -2.823 -18.193   5.082
  393   3HZ   LYS  50           HZ1      LYS  50  -2.405 -16.560   4.871
  394    H    ALA  51           HN       ALA  51  -9.800 -16.945   4.667
  395    HA   ALA  51           HA       ALA  51 -11.130 -17.379   7.126
  396   1HB   ALA  51           HB3      ALA  51 -10.122 -19.138   4.936
  397   2HB   ALA  51           HB2      ALA  51 -10.598 -19.905   6.448
  398   3HB   ALA  51           HB1      ALA  51 -11.761 -18.939   5.546
   
 Raw file had 398 H/Q atoms
  Start of MODEL   14
    1    OH   TYR   1           OH       TYR   1  26.298   1.905   5.225
    2   1H    TYR   1           HT2      TYR   1  22.892  -3.609   5.546
    3   2H    TYR   1           HT1      TYR   1  23.643  -2.131   5.914
    4   3H    TYR   1           HT3      TYR   1  24.572  -3.441   5.363
    5    HA   TYR   1           HA       TYR   1  24.802  -4.271   7.388
    6   1HB   TYR   1           HB2      TYR   1  23.248  -2.116   8.715
    7   2HB   TYR   1           HB1      TYR   1  24.883  -2.686   9.040
    8    HD1  TYR   1           HD1      TYR   1  26.383  -2.385   6.669
    9    HD2  TYR   1           HD2      TYR   1  23.239   0.127   8.049
   10    HE1  TYR   1           HE1      TYR   1  27.295  -0.524   5.360
   11    HE2  TYR   1           HE2      TYR   1  24.152   1.988   6.741
   12    HH   TYR   1           HH       TYR   1  27.075   2.236   5.683
   13    H    ALA   2           HN       ALA   2  23.440  -4.495   9.658
   14    HA   ALA   2           HA       ALA   2  20.610  -5.075   9.181
   15   1HB   ALA   2           HB2      ALA   2  22.120  -7.038   8.275
   16   2HB   ALA   2           HB1      ALA   2  22.247  -7.455   9.981
   17   3HB   ALA   2           HB3      ALA   2  20.668  -7.402   9.203
   18    H    SER   3           HN       SER   3  20.035  -3.942  10.983
   19    HA   SER   3           HA       SER   3  21.457  -4.173  13.503
   20   1HB   SER   3           HB2      SER   3  20.103  -2.152  12.785
   21   2HB   SER   3           HB1      SER   3  18.644  -3.111  13.100
   22    HG   SER   3           HG1      SER   3  19.039  -3.040  15.174
   23    H    LEU   4           HN       LEU   4  19.706  -4.524  15.468
   24    HA   LEU   4           HA       LEU   4  19.318  -7.357  15.563
   25   1HB   LEU   4           HB2      LEU   4  19.505  -5.587  17.487
   26   2HB   LEU   4           HB1      LEU   4  17.757  -5.478  17.309
   27    HG   LEU   4           HG       LEU   4  17.981  -8.154  17.341
   28   1HD1  LEU   4          HD11      LEU   4  20.498  -7.947  17.544
   29   2HD1  LEU   4          HD13      LEU   4  20.250  -7.218  19.127
   30   3HD1  LEU   4          HD12      LEU   4  19.749  -8.880  18.835
   31   1HD2  LEU   4          HD22      LEU   4  18.058  -6.351  19.785
   32   2HD2  LEU   4          HD21      LEU   4  16.615  -6.810  18.888
   33   3HD2  LEU   4          HD23      LEU   4  17.518  -8.027  19.785
   34    H    GLU   5           HN       GLU   5  16.770  -4.878  15.762
   35    HA   GLU   5           HA       GLU   5  14.864  -6.830  14.602
   36   1HB   GLU   5           HB2      GLU   5  13.274  -4.779  15.105
   37   2HB   GLU   5           HB1      GLU   5  13.836  -5.809  16.417
   38   1HG   GLU   5           HG2      GLU   5  15.591  -4.246  16.990
   39   2HG   GLU   5           HG1      GLU   5  15.283  -3.289  15.543
   40    H    GLU   6           HN       GLU   6  14.956  -6.887  12.428
   41    HA   GLU   6           HA       GLU   6  15.521  -4.462  10.871
   42   1HB   GLU   6           HB2      GLU   6  15.160  -6.048   8.915
   43   2HB   GLU   6           HB1      GLU   6  16.463  -6.489  10.014
   44   1HG   GLU   6           HG2      GLU   6  15.387  -8.373  10.714
   45   2HG   GLU   6           HG1      GLU   6  13.829  -7.555  10.805
   46    H    GLN   7           HN       GLN   7  13.050  -4.657  12.514
   47    HA   GLN   7           HA       GLN   7  10.933  -4.688  10.436
   48   1HB   GLN   7           HB2      GLN   7  11.037  -5.227  13.259
   49   2HB   GLN   7           HB1      GLN   7   9.864  -3.950  12.955
   50   1HG   GLN   7           HG2      GLN   7   8.726  -5.330  11.288
   51   2HG   GLN   7           HG1      GLN   7   9.957  -6.583  11.441
   52   1HE2  GLN   7          HE22      GLN   7   7.161  -7.655  13.609
   53   2HE2  GLN   7          HE21      GLN   7   7.439  -7.466  11.945
   54    H    ASN   8           HN       ASN   8  13.086  -2.517  11.658
   55    HA   ASN   8           HA       ASN   8  11.226  -0.213  11.669
   56   1HB   ASN   8           HB2      ASN   8  13.192  -0.551  13.316
   57   2HB   ASN   8           HB1      ASN   8  14.221  -0.058  11.974
   58   1HD2  ASN   8          HD22      ASN   8  11.580   2.694  13.527
   59   2HD2  ASN   8          HD21      ASN   8  11.218   1.040  13.646
   60    H    ASN   9           HN       ASN   9  11.275  -1.394   9.209
   61    HA   ASN   9           HA       ASN   9  12.592   0.720   7.587
   62   1HB   ASN   9           HB2      ASN   9  12.749  -2.144   6.681
   63   2HB   ASN   9           HB1      ASN   9  13.719  -0.768   6.163
   64   1HD2  ASN   9          HD22      ASN   9  15.693  -0.821   9.241
   65   2HD2  ASN   9          HD21      ASN   9  14.896   0.302   8.250
   66    H    ASP  10           HN       ASP  10   9.835  -0.672   8.413
   67    HA   ASP  10           HA       ASP  10   8.609  -1.302   5.874
   68   1HB   ASP  10           HB2      ASP  10   6.459  -0.815   7.303
   69   2HB   ASP  10           HB1      ASP  10   7.458  -2.212   7.694
   70    H    ALA  11           HN       ALA  11   7.702   0.013   4.394
   71    HA   ALA  11           HA       ALA  11   7.067   2.817   5.149
   72   1HB   ALA  11           HB2      ALA  11   9.376   2.837   4.264
   73   2HB   ALA  11           HB1      ALA  11   8.810   2.064   2.787
   74   3HB   ALA  11           HB3      ALA  11   8.272   3.692   3.191
   75    H    LEU  12           HN       LEU  12   7.276   2.567   1.865
   76    HA   LEU  12           HA       LEU  12   4.352   2.388   1.610
   77   1HB   LEU  12           HB2      LEU  12   6.506   2.807  -0.480
   78   2HB   LEU  12           HB1      LEU  12   4.774   2.946  -0.767
   79    HG   LEU  12           HG       LEU  12   5.847   4.519   1.521
   80   1HD1  LEU  12          HD11      LEU  12   6.585   4.997  -1.366
   81   2HD1  LEU  12          HD13      LEU  12   6.424   6.346  -0.248
   82   3HD1  LEU  12          HD12      LEU  12   7.615   5.085   0.058
   83   1HD2  LEU  12          HD21      LEU  12   3.451   4.505   0.711
   84   2HD2  LEU  12          HD23      LEU  12   4.183   6.106   0.741
   85   3HD2  LEU  12          HD22      LEU  12   4.012   5.246  -0.785
   86    H    SER  13           HN       SER  13   4.196   1.265  -0.954
   87    HA   SER  13           HA       SER  13   5.189  -1.507  -0.619
   88   1HB   SER  13           HB2      SER  13   2.967  -1.534   0.379
   89   2HB   SER  13           HB1      SER  13   2.291  -0.760  -1.066
   90    HG   SER  13           HG1      SER  13   3.849  -3.111  -1.211
   91    HA   PRO  14           HA       PRO  14   5.799  -0.122  -4.963
   92   1HB   PRO  14           HB2      PRO  14   7.450  -2.456  -5.383
   93   2HB   PRO  14           HB1      PRO  14   7.934  -0.759  -5.363
   94   1HG   PRO  14           HG2      PRO  14   8.496  -2.721  -3.353
   95   2HG   PRO  14           HG1      PRO  14   8.822  -0.990  -3.255
   96   1HD   PRO  14           HD1      PRO  14   6.755  -2.535  -1.892
   97   2HD   PRO  14           HD2      PRO  14   7.204  -0.836  -1.638
   98    H    ALA  15           HN       ALA  15   4.341  -2.748  -3.532
   99    HA   ALA  15           HA       ALA  15   3.550  -3.999  -6.120
  100   1HB   ALA  15           HB1      ALA  15   3.953  -4.974  -3.416
  101   2HB   ALA  15           HB3      ALA  15   2.355  -5.411  -4.012
  102   3HB   ALA  15           HB2      ALA  15   3.791  -5.888  -4.913
  103    H    ILE  16           HN       ILE  16   2.525  -1.664  -4.004
  104    HA   ILE  16           HA       ILE  16  -0.197  -2.014  -3.568
  105    HB   ILE  16           HB       ILE  16   1.345   0.031  -3.053
  106   1HG1  ILE  16          HG12      ILE  16  -1.559   0.329  -3.895
  107   2HG1  ILE  16          HG11      ILE  16  -0.983  -0.133  -2.299
  108   1HG2  ILE  16          HG22      ILE  16   1.608   0.363  -5.629
  109   2HG2  ILE  16          HG21      ILE  16   0.022   1.121  -5.532
  110   3HG2  ILE  16          HG23      ILE  16   1.373   1.788  -4.620
  111   1HD1  ILE  16           HD1      ILE  16   0.379   2.143  -2.495
  112   2HD1  ILE  16           HD3      ILE  16  -0.894   2.548  -3.643
  113   3HD1  ILE  16           HD2      ILE  16  -1.305   2.152  -1.978
  114    NH1  ARG  17           NH1      ARG  17   2.588   2.329 -12.440
  115    NH2  ARG  17           NH2      ARG  17   1.272   4.017 -11.638
  116    H    ARG  17           HN       ARG  17   1.436  -1.585  -6.582
  117    HA   ARG  17           HA       ARG  17  -0.975  -0.857  -8.074
  118   1HB   ARG  17           HB2      ARG  17   1.884  -1.398  -8.727
  119   2HB   ARG  17           HB1      ARG  17   0.703  -1.584 -10.021
  120   1HG   ARG  17           HG2      ARG  17  -0.118   0.695  -9.640
  121   2HG   ARG  17           HG1      ARG  17   0.973   0.885  -8.272
  122   1HD   ARG  17           HD2      ARG  17   2.913   0.540  -9.801
  123   2HD   ARG  17           HD1      ARG  17   1.798   0.427 -11.161
  124    HE   ARG  17           HE       ARG  17   1.922   2.898  -9.480
  125   1HH1  ARG  17          HH11      ARG  17   3.081   1.476 -12.274
  126   2HH1  ARG  17          HH12      ARG  17   2.597   2.743 -13.350
  127   1HH2  ARG  17          HH21      ARG  17   0.780   4.427 -10.871
  128   2HH2  ARG  17          HH22      ARG  17   1.258   4.458 -12.534
  129    NH1  ARG  18           NH2      ARG  18   3.728  -8.127  -6.966
  130    NH2  ARG  18           NH1      ARG  18   5.645  -7.727  -8.145
  131    H    ARG  18           HN       ARG  18   0.920  -3.770  -7.488
  132    HA   ARG  18           HA       ARG  18  -0.867  -5.362  -9.221
  133   1HB   ARG  18           HB2      ARG  18   1.451  -6.252  -7.484
  134   2HB   ARG  18           HB1      ARG  18   0.640  -7.220  -8.711
  135   1HG   ARG  18           HG2      ARG  18   1.331  -5.619 -10.452
  136   2HG   ARG  18           HG1      ARG  18   2.103  -4.610  -9.235
  137   1HD   ARG  18           HD2      ARG  18   2.849  -7.507  -9.765
  138   2HD   ARG  18           HD1      ARG  18   3.720  -6.125 -10.426
  139    HE   ARG  18           HE       ARG  18   3.976  -5.478  -7.897
  140   1HH1  ARG  18          HH21      ARG  18   2.796  -7.855  -6.732
  141   2HH1  ARG  18          HH22      ARG  18   4.130  -8.944  -6.554
  142   1HH2  ARG  18          HH11      ARG  18   6.148  -7.157  -8.794
  143   2HH2  ARG  18          HH12      ARG  18   6.079  -8.539  -7.753
  144    H    LEU  19           HN       LEU  19  -1.689  -4.045  -6.611
  145    HA   LEU  19           HA       LEU  19  -2.437  -6.452  -5.030
  146   1HB   LEU  19           HB2      LEU  19  -1.445  -4.335  -3.972
  147   2HB   LEU  19           HB1      LEU  19  -2.999  -3.579  -4.301
  148    HG   LEU  19           HG       LEU  19  -3.860  -5.874  -3.153
  149   1HD1  LEU  19          HD13      LEU  19  -1.490  -6.618  -2.791
  150   2HD1  LEU  19          HD12      LEU  19  -1.243  -5.213  -1.759
  151   3HD1  LEU  19          HD11      LEU  19  -2.392  -6.460  -1.288
  152   1HD2  LEU  19          HD22      LEU  19  -2.905  -3.375  -1.712
  153   2HD2  LEU  19          HD21      LEU  19  -4.483  -3.598  -2.457
  154   3HD2  LEU  19          HD23      LEU  19  -4.034  -4.549  -1.044
  155    H    LEU  20           HN       LEU  20  -3.953  -3.541  -6.405
  156    HA   LEU  20           HA       LEU  20  -6.647  -4.404  -5.926
  157   1HB   LEU  20           HB2      LEU  20  -5.496  -2.450  -7.930
  158   2HB   LEU  20           HB1      LEU  20  -7.222  -2.673  -7.667
  159    HG   LEU  20           HG       LEU  20  -5.554  -2.236  -5.236
  160   1HD1  LEU  20          HD11      LEU  20  -6.005  -0.187  -7.407
  161   2HD1  LEU  20          HD13      LEU  20  -5.888   0.308  -5.722
  162   3HD1  LEU  20          HD12      LEU  20  -4.535  -0.513  -6.493
  163   1HD2  LEU  20          HD22      LEU  20  -8.122  -2.540  -5.435
  164   2HD2  LEU  20          HD21      LEU  20  -7.541  -1.207  -4.443
  165   3HD2  LEU  20          HD23      LEU  20  -8.132  -0.899  -6.073
  166    H    ALA  21           HN       ALA  21  -4.326  -5.189  -8.359
  167    HA   ALA  21           HA       ALA  21  -6.372  -6.302 -10.176
  168   1HB   ALA  21           HB2      ALA  21  -3.569  -5.531 -10.371
  169   2HB   ALA  21           HB1      ALA  21  -3.867  -7.110 -11.092
  170   3HB   ALA  21           HB3      ALA  21  -4.770  -5.704 -11.648
  171    H    GLU  22           HN       GLU  22  -4.830  -7.295  -7.421
  172    HA   GLU  22           HA       GLU  22  -4.592 -10.131  -8.252
  173   1HB   GLU  22           HB2      GLU  22  -2.986  -8.726  -6.656
  174   2HB   GLU  22           HB1      GLU  22  -4.138  -9.253  -5.435
  175   1HG   GLU  22           HG2      GLU  22  -2.626 -11.061  -7.353
  176   2HG   GLU  22           HG1      GLU  22  -2.317 -10.895  -5.626
  177    H    HIS  23           HN       HIS  23  -6.364  -8.112  -5.948
  178    HA   HIS  23           HA       HIS  23  -8.174 -10.414  -5.374
  179   1HB   HIS  23           HB2      HIS  23  -8.305  -7.789  -3.926
  180   2HB   HIS  23           HB1      HIS  23  -8.683  -9.405  -3.333
  181    HD1  HIS  23           HD1      HIS  23  -6.305 -10.913  -3.567
  182    HD2  HIS  23           HD2      HIS  23  -5.952  -6.932  -2.861
  183    HE1  HIS  23           HE1      HIS  23  -4.077 -10.637  -2.644
  184    H    ASN  24           HN       ASN  24  -7.972  -7.754  -7.352
  185    HA   ASN  24           HA       ASN  24  -9.572  -6.503  -8.546
  186   1HB   ASN  24           HB2      ASN  24 -10.021  -8.925  -9.227
  187   2HB   ASN  24           HB1      ASN  24 -11.361  -8.894  -8.083
  188   1HD2  ASN  24          HD22      ASN  24 -11.583  -6.592 -11.484
  189   2HD2  ASN  24          HD21      ASN  24 -10.065  -7.095 -10.914
  190    H    LEU  25           HN       LEU  25  -9.547  -5.387  -6.233
  191    HA   LEU  25           HA       LEU  25 -12.179  -5.581  -4.903
  192   1HB   LEU  25           HB2      LEU  25  -9.640  -4.063  -4.313
  193   2HB   LEU  25           HB1      LEU  25 -11.129  -3.756  -3.426
  194    HG   LEU  25           HG       LEU  25 -10.326  -6.610  -3.724
  195   1HD1  LEU  25          HD11      LEU  25  -8.906  -4.652  -1.886
  196   2HD1  LEU  25          HD13      LEU  25  -8.771  -6.404  -1.782
  197   3HD1  LEU  25          HD12      LEU  25  -8.168  -5.558  -3.202
  198   1HD2  LEU  25          HD23      LEU  25 -12.365  -5.854  -2.499
  199   2HD2  LEU  25          HD22      LEU  25 -11.237  -6.700  -1.444
  200   3HD2  LEU  25          HD21      LEU  25 -11.339  -4.943  -1.395
  201    H    ASP  26           HN       ASP  26 -13.722  -3.978  -4.921
  202    HA   ASP  26           HA       ASP  26 -13.464  -1.999  -7.109
  203   1HB   ASP  26           HB2      ASP  26 -15.964  -1.605  -6.313
  204   2HB   ASP  26           HB1      ASP  26 -15.547  -3.004  -7.301
  205    H    ALA  27           HN       ALA  27 -12.085  -0.464  -6.174
  206    HA   ALA  27           HA       ALA  27 -12.151   0.648  -3.627
  207   1HB   ALA  27           HB3      ALA  27 -11.373   1.638  -6.308
  208   2HB   ALA  27           HB2      ALA  27 -11.655   2.878  -5.091
  209   3HB   ALA  27           HB1      ALA  27 -10.454   1.623  -4.807
  210    H    SER  28           HN       SER  28 -14.507   0.951  -6.125
  211    HA   SER  28           HA       SER  28 -15.798   3.359  -5.525
  212   1HB   SER  28           HB2      SER  28 -17.642   1.078  -5.915
  213   2HB   SER  28           HB1      SER  28 -17.443   2.547  -6.889
  214    HG   SER  28           HG1      SER  28 -15.235   1.488  -7.283
  215    H    ALA  29           HN       ALA  29 -15.933   0.298  -3.799
  216    HA   ALA  29           HA       ALA  29 -17.983   1.233  -1.935
  217   1HB   ALA  29           HB3      ALA  29 -16.200  -1.205  -2.018
  218   2HB   ALA  29           HB2      ALA  29 -17.316  -0.897  -0.691
  219   3HB   ALA  29           HB1      ALA  29 -17.932  -1.121  -2.325
  220    H    ILE  30           HN       ILE  30 -14.530   1.284  -2.135
  221    HA   ILE  30           HA       ILE  30 -14.227   1.941   0.728
  222    HB   ILE  30           HB       ILE  30 -12.136   1.899  -1.466
  223   1HG1  ILE  30          HG12      ILE  30 -13.154  -0.308  -1.301
  224   2HG1  ILE  30          HG11      ILE  30 -11.572  -0.371  -0.543
  225   1HG2  ILE  30          HG22      ILE  30 -12.088   2.405   1.460
  226   2HG2  ILE  30          HG21      ILE  30 -10.843   1.314   0.868
  227   3HG2  ILE  30          HG23      ILE  30 -10.975   2.940   0.209
  228   1HD1  ILE  30           HD1      ILE  30 -12.915   0.203   1.660
  229   2HD1  ILE  30           HD3      ILE  30 -14.293  -0.401   0.748
  230   3HD1  ILE  30           HD2      ILE  30 -12.912  -1.447   1.054
  231    H    LYS  31           HN       LYS  31 -14.961   3.950   1.177
  232    HA   LYS  31           HA       LYS  31 -14.620   6.168  -0.693
  233   1HB   LYS  31           HB2      LYS  31 -15.876   5.764   1.973
  234   2HB   LYS  31           HB1      LYS  31 -15.376   7.402   1.569
  235   1HG   LYS  31           HG2      LYS  31 -16.785   7.491  -0.331
  236   2HG   LYS  31           HG1      LYS  31 -16.956   5.739  -0.395
  237   1HD   LYS  31           HD2      LYS  31 -18.999   6.838   0.512
  238   2HD   LYS  31           HD1      LYS  31 -18.255   5.764   1.691
  239   1HE   LYS  31           HE2      LYS  31 -17.505   7.514   3.016
  240   2HE   LYS  31           HE1      LYS  31 -17.376   8.625   1.659
  241   1HZ   LYS  31           HZ3      LYS  31 -20.026   7.663   2.463
  242   2HZ   LYS  31           HZ2      LYS  31 -19.275   8.876   3.383
  243   3HZ   LYS  31           HZ1      LYS  31 -19.584   9.131   1.733
  244    H    GLY  32           HN       GLY  32 -12.412   6.474  -0.976
  245   1HA   GLY  32           HA2      GLY  32 -10.358   6.450   0.886
  246   2HA   GLY  32           HA1      GLY  32 -10.390   7.576  -0.469
  247    H    THR  33           HN       THR  33 -10.075   7.449   2.766
  248    HA   THR  33           HA       THR  33 -11.629   9.909   3.339
  249    HB   THR  33           HB       THR  33 -10.488   9.391   5.716
  250    HG1  THR  33           HG1      THR  33  -9.179   7.779   4.633
  251   1HG2  THR  33          HG22      THR  33 -12.637   7.661   4.427
  252   2HG2  THR  33          HG21      THR  33 -12.289   7.688   6.152
  253   3HG2  THR  33          HG23      THR  33 -12.920   9.127   5.359
  254    H    GLY  34           HN       GLY  34  -8.549   9.013   2.329
  255   1HA   GLY  34           HA2      GLY  34  -6.748  10.679   3.630
  256   2HA   GLY  34           HA1      GLY  34  -6.662  10.361   1.899
  257    H    VAL  35           HN       VAL  35  -5.811  12.774   2.743
  258    HA   VAL  35           HA       VAL  35  -7.801  14.825   2.892
  259    HB   VAL  35           HB       VAL  35  -4.943  14.961   1.893
  260   1HG1  VAL  35          HG13      VAL  35  -6.967  17.093   2.642
  261   2HG1  VAL  35          HG12      VAL  35  -5.236  17.407   2.561
  262   3HG1  VAL  35          HG11      VAL  35  -6.110  16.918   1.113
  263   1HG2  VAL  35          HG22      VAL  35  -5.772  14.273   4.385
  264   2HG2  VAL  35          HG21      VAL  35  -4.304  15.200   4.090
  265   3HG2  VAL  35          HG23      VAL  35  -5.792  16.026   4.539
  266    H    GLY  36           HN       GLY  36  -9.361  14.687   1.318
  267   1HA   GLY  36           HA2      GLY  36 -10.161  15.501  -0.792
  268   2HA   GLY  36           HA1      GLY  36  -8.505  15.498  -1.393
  269    H    GLY  37           HN       GLY  37 -10.613  13.008   0.040
  270   1HA   GLY  37           HA2      GLY  37 -11.001  10.797  -0.665
  271   2HA   GLY  37           HA1      GLY  37 -11.185  11.526  -2.257
  272    NH1  ARG  38           NH2      ARG  38  -2.610  14.670  -2.930
  273    NH2  ARG  38           NH1      ARG  38  -1.606  14.242  -0.923
  274    H    ARG  38           HN       ARG  38  -8.351  11.180  -0.139
  275    HA   ARG  38           HA       ARG  38  -6.799  10.194  -2.449
  276   1HB   ARG  38           HB2      ARG  38  -6.212  11.645  -0.062
  277   2HB   ARG  38           HB1      ARG  38  -5.273  10.157  -0.037
  278   1HG   ARG  38           HG2      ARG  38  -4.471  10.643  -2.341
  279   2HG   ARG  38           HG1      ARG  38  -5.377  12.151  -2.325
  280   1HD   ARG  38           HD2      ARG  38  -4.057  12.958  -0.417
  281   2HD   ARG  38           HD1      ARG  38  -3.193  11.424  -0.340
  282    HE   ARG  38           HE       ARG  38  -2.393  12.024  -2.717
  283   1HH1  ARG  38          HH21      ARG  38  -3.149  14.341  -3.706
  284   2HH1  ARG  38          HH22      ARG  38  -2.302  15.621  -2.903
  285   1HH2  ARG  38          HH11      ARG  38  -1.393  13.592  -0.194
  286   2HH2  ARG  38          HH12      ARG  38  -1.281  15.185  -0.862
  287    H    LEU  39           HN       LEU  39  -6.968   8.079  -2.880
  288    HA   LEU  39           HA       LEU  39  -7.617   6.135  -0.798
  289   1HB   LEU  39           HB2      LEU  39  -8.280   6.073  -3.306
  290   2HB   LEU  39           HB1      LEU  39  -6.659   5.437  -3.565
  291    HG   LEU  39           HG       LEU  39  -7.412   3.869  -1.497
  292   1HD1  LEU  39          HD13      LEU  39  -9.656   4.943  -1.383
  293   2HD1  LEU  39          HD12      LEU  39  -9.960   4.451  -3.046
  294   3HD1  LEU  39          HD11      LEU  39  -9.775   3.234  -1.789
  295   1HD2  LEU  39          HD21      LEU  39  -7.814   3.597  -4.471
  296   2HD2  LEU  39          HD23      LEU  39  -6.613   2.818  -3.446
  297   3HD2  LEU  39          HD22      LEU  39  -8.291   2.286  -3.396
  298    H    THR  40           HN       THR  40  -6.025   5.771   0.654
  299    HA   THR  40           HA       THR  40  -3.231   5.491  -0.302
  300    HB   THR  40           HB       THR  40  -2.612   5.621   2.071
  301    HG1  THR  40           HG1      THR  40  -5.185   4.695   2.180
  302   1HG2  THR  40          HG23      THR  40  -3.783   7.722   0.834
  303   2HG2  THR  40          HG22      THR  40  -4.999   7.430   2.073
  304   3HG2  THR  40          HG21      THR  40  -3.339   7.789   2.537
  305    NH1  ARG  41           NH1      ARG  41   2.237  -0.771   2.986
  306    NH2  ARG  41           NH2      ARG  41   0.933  -2.244   4.147
  307    H    ARG  41           HN       ARG  41  -2.224   3.725   1.548
  308    HA   ARG  41           HA       ARG  41  -3.376   1.177   0.554
  309   1HB   ARG  41           HB2      ARG  41  -0.972   1.476   0.262
  310   2HB   ARG  41           HB1      ARG  41  -0.776   1.782   1.985
  311   1HG   ARG  41           HG2      ARG  41  -1.394  -0.463   2.551
  312   2HG   ARG  41           HG1      ARG  41  -1.987  -0.783   0.925
  313   1HD   ARG  41           HD2      ARG  41   0.140  -1.065   0.058
  314   2HD   ARG  41           HD1      ARG  41   0.865   0.074   1.192
  315    HE   ARG  41           HE       ARG  41   0.315  -2.786   1.731
  316   1HH1  ARG  41          HH11      ARG  41   2.453  -0.314   2.122
  317   2HH1  ARG  41          HH12      ARG  41   2.776  -0.573   3.805
  318   1HH2  ARG  41          HH21      ARG  41   0.172  -2.892   4.155
  319   2HH2  ARG  41          HH22      ARG  41   1.451  -2.072   4.986
  320    H    GLU  42           HN       GLU  42  -2.908   2.999   3.482
  321    HA   GLU  42           HA       GLU  42  -3.544   0.783   5.269
  322   1HB   GLU  42           HB2      GLU  42  -2.242   3.021   5.743
  323   2HB   GLU  42           HB1      GLU  42  -3.851   3.658   6.061
  324   1HG   GLU  42           HG2      GLU  42  -4.244   1.812   7.683
  325   2HG   GLU  42           HG1      GLU  42  -2.610   1.223   7.389
  326    H    ASP  43           HN       ASP  43  -5.431   1.609   3.056
  327    HA   ASP  43           HA       ASP  43  -7.875   1.836   4.771
  328   1HB   ASP  43           HB2      ASP  43  -7.070   3.426   2.378
  329   2HB   ASP  43           HB1      ASP  43  -8.772   3.007   2.545
  330    H    VAL  44           HN       VAL  44  -6.465   0.741   1.733
  331    HA   VAL  44           HA       VAL  44  -8.834  -0.922   1.150
  332    HB   VAL  44           HB       VAL  44  -6.210  -0.871  -0.350
  333   1HG1  VAL  44          HG13      VAL  44  -8.024  -2.658  -0.749
  334   2HG1  VAL  44          HG12      VAL  44  -9.019  -1.346  -1.371
  335   3HG1  VAL  44          HG11      VAL  44  -7.496  -1.746  -2.159
  336   1HG2  VAL  44          HG22      VAL  44  -8.640   0.931  -0.646
  337   2HG2  VAL  44          HG21      VAL  44  -7.029   1.437  -0.147
  338   3HG2  VAL  44          HG23      VAL  44  -7.301   0.857  -1.787
  339    H    GLU  45           HN       GLU  45  -5.388  -1.385   1.875
  340    HA   GLU  45           HA       GLU  45  -5.379  -4.208   1.830
  341   1HB   GLU  45           HB2      GLU  45  -3.283  -4.038   2.898
  342   2HB   GLU  45           HB1      GLU  45  -3.417  -2.559   1.978
  343   1HG   GLU  45           HG2      GLU  45  -2.821  -1.635   4.008
  344   2HG   GLU  45           HG1      GLU  45  -4.560  -1.711   4.267
  345    H    LYS  46           HN       LYS  46  -6.679  -1.995   4.131
  346    HA   LYS  46           HA       LYS  46  -6.805  -4.031   6.268
  347   1HB   LYS  46           HB2      LYS  46  -7.368  -1.113   6.049
  348   2HB   LYS  46           HB1      LYS  46  -8.251  -2.016   7.276
  349   1HG   LYS  46           HG2      LYS  46  -6.148  -2.863   8.213
  350   2HG   LYS  46           HG1      LYS  46  -5.233  -2.056   6.944
  351   1HD   LYS  46           HD2      LYS  46  -6.253   0.131   7.742
  352   2HD   LYS  46           HD1      LYS  46  -6.889  -0.753   9.124
  353   1HE   LYS  46           HE2      LYS  46  -4.537  -1.509   9.633
  354   2HE   LYS  46           HE1      LYS  46  -3.971  -0.442   8.354
  355   1HZ   LYS  46           HZ3      LYS  46  -5.292   1.335   9.629
  356   2HZ   LYS  46           HZ2      LYS  46  -5.200   0.252  10.934
  357   3HZ   LYS  46           HZ1      LYS  46  -3.777   0.851  10.225
  358    H    HIS  47           HN       HIS  47  -8.469  -3.552   3.528
  359    HA   HIS  47           HA       HIS  47 -11.158  -4.028   4.697
  360   1HB   HIS  47           HB2      HIS  47 -10.753  -2.356   2.809
  361   2HB   HIS  47           HB1      HIS  47 -10.471  -3.748   1.768
  362    HD1  HIS  47           HD1      HIS  47 -13.161  -2.352   3.887
  363    HD2  HIS  47           HD2      HIS  47 -12.743  -5.032   0.869
  364    HE1  HIS  47           HE1      HIS  47 -15.429  -2.951   3.266
  365    H    LEU  48           HN       LEU  48  -8.684  -5.569   2.747
  366    HA   LEU  48           HA       LEU  48  -9.964  -7.781   1.687
  367   1HB   LEU  48           HB2      LEU  48  -7.258  -7.412   2.915
  368   2HB   LEU  48           HB1      LEU  48  -7.765  -9.033   2.452
  369    HG   LEU  48           HG       LEU  48  -8.188  -6.810   0.487
  370   1HD1  LEU  48          HD11      LEU  48  -5.544  -7.945   1.362
  371   2HD1  LEU  48          HD13      LEU  48  -5.785  -7.544  -0.336
  372   3HD1  LEU  48          HD12      LEU  48  -5.941  -6.295   0.895
  373   1HD2  LEU  48          HD23      LEU  48  -8.827  -9.356   0.320
  374   2HD2  LEU  48          HD22      LEU  48  -8.104  -8.563  -1.076
  375   3HD2  LEU  48          HD21      LEU  48  -7.116  -9.578  -0.029
  376    H    ALA  49           HN       ALA  49 -11.715  -8.479   2.923
  377    HA   ALA  49           HA       ALA  49 -11.142  -9.565   5.631
  378   1HB   ALA  49           HB1      ALA  49 -13.167  -8.069   5.085
  379   2HB   ALA  49           HB3      ALA  49 -13.838  -9.486   4.282
  380   3HB   ALA  49           HB2      ALA  49 -13.480  -9.536   6.006
  381    H    LYS  50           HN       LYS  50 -13.686 -11.257   4.914
  382    HA   LYS  50           HA       LYS  50 -12.264 -13.726   4.509
  383   1HB   LYS  50           HB2      LYS  50 -14.796 -13.036   5.354
  384   2HB   LYS  50           HB1      LYS  50 -15.107 -13.757   3.779
  385   1HG   LYS  50           HG2      LYS  50 -13.667 -15.711   4.472
  386   2HG   LYS  50           HG1      LYS  50 -13.582 -15.010   6.084
  387   1HD   LYS  50           HD2      LYS  50 -16.315 -14.973   5.405
  388   2HD   LYS  50           HD1      LYS  50 -15.730 -16.545   4.871
  389   1HE   LYS  50           HE2      LYS  50 -16.471 -16.631   7.230
  390   2HE   LYS  50           HE1      LYS  50 -14.744 -16.943   7.101
  391   1HZ   LYS  50           HZ2      LYS  50 -14.784 -14.288   7.381
  392   2HZ   LYS  50           HZ1      LYS  50 -16.136 -14.721   8.313
  393   3HZ   LYS  50           HZ3      LYS  50 -14.612 -15.380   8.669
  394    H    ALA  51           HN       ALA  51 -14.506 -11.952   2.383
  395    HA   ALA  51           HA       ALA  51 -14.166 -13.580   0.091
  396   1HB   ALA  51           HB1      ALA  51 -15.613 -11.318   0.687
  397   2HB   ALA  51           HB3      ALA  51 -14.450 -10.712  -0.486
  398   3HB   ALA  51           HB2      ALA  51 -15.511 -12.052  -0.910
   
 Raw file had 398 H/Q atoms
  Start of MODEL   15
    1    OH   TYR   1           OH       TYR   1  24.105  14.751  -5.717
    2   1H    TYR   1           HT2      TYR   1  25.341   8.557  -1.975
    3   2H    TYR   1           HT1      TYR   1  26.160   9.432  -3.178
    4   3H    TYR   1           HT3      TYR   1  24.841  10.132  -2.368
    5    HA   TYR   1           HA       TYR   1  23.310   9.061  -3.591
    6   1HB   TYR   1           HB2      TYR   1  25.783   8.865  -5.332
    7   2HB   TYR   1           HB1      TYR   1  24.140   8.621  -5.921
    8    HD1  TYR   1           HD1      TYR   1  22.442  10.555  -5.360
    9    HD2  TYR   1           HD2      TYR   1  26.667  11.041  -5.318
   10    HE1  TYR   1           HE1      TYR   1  22.166  12.981  -5.591
   11    HE2  TYR   1           HE2      TYR   1  26.391  13.466  -5.550
   12    HH   TYR   1           HH       TYR   1  23.451  15.039  -5.076
   13    H    ALA   2           HN       ALA   2  22.397   7.171  -3.125
   14    HA   ALA   2           HA       ALA   2  23.642   4.680  -4.032
   15   1HB   ALA   2           HB3      ALA   2  23.171   5.163  -1.078
   16   2HB   ALA   2           HB2      ALA   2  23.608   3.614  -1.791
   17   3HB   ALA   2           HB1      ALA   2  24.738   4.962  -1.856
   18    H    SER   3           HN       SER   3  21.782   3.787  -1.525
   19    HA   SER   3           HA       SER   3  19.173   4.172  -2.875
   20   1HB   SER   3           HB2      SER   3  20.663   1.596  -2.721
   21   2HB   SER   3           HB1      SER   3  18.918   1.534  -2.402
   22    HG   SER   3           HG1      SER   3  18.804   3.004  -4.313
   23    H    LEU   4           HN       LEU   4  21.011   4.008  -0.124
   24    HA   LEU   4           HA       LEU   4  18.761   3.179   1.630
   25   1HB   LEU   4           HB2      LEU   4  21.620   3.036   1.799
   26   2HB   LEU   4           HB1      LEU   4  21.022   3.987   3.153
   27    HG   LEU   4           HG       LEU   4  19.376   2.176   3.658
   28   1HD1  LEU   4          HD11      LEU   4  20.232   1.294   1.054
   29   2HD1  LEU   4          HD13      LEU   4  20.584   0.029   2.227
   30   3HD1  LEU   4          HD12      LEU   4  18.941   0.641   2.058
   31   1HD2  LEU   4          HD21      LEU   4  21.653   2.247   4.722
   32   2HD2  LEU   4          HD23      LEU   4  21.007   0.614   4.591
   33   3HD2  LEU   4          HD22      LEU   4  22.235   1.169   3.458
   34    H    GLU   5           HN       GLU   5  20.323   5.976   0.435
   35    HA   GLU   5           HA       GLU   5  18.588   7.658   2.159
   36   1HB   GLU   5           HB2      GLU   5  21.590   7.859   1.956
   37   2HB   GLU   5           HB1      GLU   5  20.604   9.239   2.423
   38   1HG   GLU   5           HG2      GLU   5  19.631   7.924   4.278
   39   2HG   GLU   5           HG1      GLU   5  20.606   6.535   3.808
   40    H    GLU   6           HN       GLU   6  18.066   7.106  -0.450
   41    HA   GLU   6           HA       GLU   6  19.211   9.224  -2.143
   42   1HB   GLU   6           HB2      GLU   6  17.921   6.728  -2.584
   43   2HB   GLU   6           HB1      GLU   6  16.934   7.970  -3.346
   44   1HG   GLU   6           HG2      GLU   6  18.971   8.859  -4.480
   45   2HG   GLU   6           HG1      GLU   6  19.916   7.558  -3.760
   46    H    GLN   7           HN       GLN   7  17.528  10.487  -3.498
   47    HA   GLN   7           HA       GLN   7  15.744  11.840  -1.559
   48   1HB   GLN   7           HB2      GLN   7  16.732  12.547  -4.324
   49   2HB   GLN   7           HB1      GLN   7  15.490  13.486  -3.503
   50   1HG   GLN   7           HG2      GLN   7  18.116  12.847  -2.149
   51   2HG   GLN   7           HG1      GLN   7  17.951  14.248  -3.203
   52   1HE2  GLN   7          HE22      GLN   7  17.100  15.246   0.319
   53   2HE2  GLN   7          HE21      GLN   7  18.465  14.545  -0.410
   54    H    ASN   8           HN       ASN   8  14.682   9.446  -2.015
   55    HA   ASN   8           HA       ASN   8  12.236  10.107  -3.523
   56   1HB   ASN   8           HB2      ASN   8  14.263   8.141  -4.438
   57   2HB   ASN   8           HB1      ASN   8  12.582   7.619  -4.524
   58   1HD2  ASN   8          HD22      ASN   8  13.952  10.491  -7.061
   59   2HD2  ASN   8          HD21      ASN   8  14.947   9.857  -5.841
   60    H    ASN   9           HN       ASN   9  11.438  10.024  -1.318
   61    HA   ASN   9           HA       ASN   9  10.733   7.240  -0.547
   62   1HB   ASN   9           HB2      ASN   9  11.087   8.225   1.918
   63   2HB   ASN   9           HB1      ASN   9  12.396   7.442   1.037
   64   1HD2  ASN   9          HD22      ASN   9  12.520  11.497   0.555
   65   2HD2  ASN   9          HD21      ASN   9  11.134  10.622   0.113
   66    H    ASP  10           HN       ASP  10   9.658  10.140  -1.418
   67    HA   ASP  10           HA       ASP  10   7.427  10.266   0.554
   68   1HB   ASP  10           HB2      ASP  10   7.984  12.225  -1.677
   69   2HB   ASP  10           HB1      ASP  10   7.028  12.485  -0.221
   70    H    ALA  11           HN       ALA  11   6.589   8.229  -0.443
   71    HA   ALA  11           HA       ALA  11   4.350   8.727  -2.093
   72   1HB   ALA  11           HB3      ALA  11   6.862   8.393  -3.548
   73   2HB   ALA  11           HB2      ALA  11   5.633   7.235  -4.049
   74   3HB   ALA  11           HB1      ALA  11   5.301   8.963  -4.130
   75    H    LEU  12           HN       LEU  12   3.194   6.786  -2.659
   76    HA   LEU  12           HA       LEU  12   3.550   4.664  -0.745
   77   1HB   LEU  12           HB2      LEU  12   1.918   4.439  -3.269
   78   2HB   LEU  12           HB1      LEU  12   1.618   3.692  -1.706
   79    HG   LEU  12           HG       LEU  12   1.410   6.641  -2.386
   80   1HD1  LEU  12          HD12      LEU  12  -0.590   4.570  -1.416
   81   2HD1  LEU  12          HD11      LEU  12  -0.942   6.283  -1.621
   82   3HD1  LEU  12          HD13      LEU  12  -0.542   5.293  -3.022
   83   1HD2  LEU  12          HD23      LEU  12   1.453   5.174   0.255
   84   2HD2  LEU  12          HD22      LEU  12   2.345   6.620  -0.205
   85   3HD2  LEU  12          HD21      LEU  12   0.610   6.710   0.085
   86    H    SER  13           HN       SER  13   3.182   2.301  -2.052
   87    HA   SER  13           HA       SER  13   5.792   1.986  -3.425
   88   1HB   SER  13           HB2      SER  13   6.007   0.196  -2.054
   89   2HB   SER  13           HB1      SER  13   4.337   0.399  -1.492
   90    HG   SER  13           HG1      SER  13   3.982  -1.309  -2.677
   91    HA   PRO  14           HA       PRO  14   3.981   0.968  -7.319
   92   1HB   PRO  14           HB2      PRO  14   5.456  -1.363  -7.940
   93   2HB   PRO  14           HB1      PRO  14   5.863   0.294  -8.392
   94   1HG   PRO  14           HG2      PRO  14   7.112  -1.411  -6.340
   95   2HG   PRO  14           HG1      PRO  14   7.693   0.116  -7.005
   96   1HD   PRO  14           HD1      PRO  14   6.555  -0.280  -4.423
   97   2HD   PRO  14           HD2      PRO  14   6.925   1.270  -5.202
   98    H    ALA  15           HN       ALA  15   4.618  -1.899  -5.328
   99    HA   ALA  15           HA       ALA  15   2.805  -3.705  -6.470
  100   1HB   ALA  15           HB3      ALA  15   3.750  -3.326  -3.637
  101   2HB   ALA  15           HB2      ALA  15   2.635  -4.620  -4.061
  102   3HB   ALA  15           HB1      ALA  15   4.233  -4.557  -4.798
  103    H    ILE  16           HN       ILE  16   2.079  -0.790  -4.873
  104    HA   ILE  16           HA       ILE  16  -0.488  -1.535  -3.780
  105    HB   ILE  16           HB       ILE  16   0.934   0.553  -3.239
  106   1HG1  ILE  16          HG12      ILE  16  -2.043   0.862  -3.800
  107   2HG1  ILE  16          HG11      ILE  16  -1.364   0.106  -2.366
  108   1HG2  ILE  16          HG23      ILE  16   0.843   1.093  -5.833
  109   2HG2  ILE  16          HG22      ILE  16  -0.678   1.869  -5.404
  110   3HG2  ILE  16          HG21      ILE  16   0.824   2.398  -4.654
  111   1HD1  ILE  16           HD3      ILE  16  -0.195   2.230  -1.819
  112   2HD1  ILE  16           HD2      ILE  16  -0.936   2.986  -3.226
  113   3HD1  ILE  16           HD1      ILE  16  -1.940   2.444  -1.885
  114    NH1  ARG  17           NH2      ARG  17   0.885   3.785 -10.951
  115    NH2  ARG  17           NH1      ARG  17  -0.541   5.376 -10.143
  116    H    ARG  17           HN       ARG  17   0.583  -1.193  -6.944
  117    HA   ARG  17           HA       ARG  17  -2.022  -0.306  -8.013
  118   1HB   ARG  17           HB2      ARG  17   0.551  -1.135  -9.379
  119   2HB   ARG  17           HB1      ARG  17  -0.887  -0.579 -10.229
  120   1HG   ARG  17           HG2      ARG  17  -0.011   1.171  -8.012
  121   2HG   ARG  17           HG1      ARG  17   1.115   1.077  -9.360
  122   1HD   ARG  17           HD2      ARG  17  -0.544   1.815 -10.921
  123   2HD   ARG  17           HD1      ARG  17  -1.847   1.570  -9.760
  124    HE   ARG  17           HE       ARG  17  -0.939   3.510  -8.489
  125   1HH1  ARG  17          HH21      ARG  17   1.202   2.837 -10.945
  126   2HH1  ARG  17          HH22      ARG  17   1.319   4.452 -11.557
  127   1HH2  ARG  17          HH11      ARG  17  -1.294   5.620  -9.530
  128   2HH2  ARG  17          HH12      ARG  17  -0.133   6.071 -10.735
  129    NH1  ARG  18           NH1      ARG  18   3.669  -7.361 -12.087
  130    NH2  ARG  18           NH2      ARG  18   2.089  -8.337 -13.419
  131    H    ARG  18           HN       ARG  18   0.087  -3.156  -8.348
  132    HA   ARG  18           HA       ARG  18  -2.016  -4.726  -9.610
  133   1HB   ARG  18           HB2      ARG  18   0.707  -5.417  -8.499
  134   2HB   ARG  18           HB1      ARG  18  -0.364  -6.628  -9.196
  135   1HG   ARG  18           HG2      ARG  18  -0.387  -5.479 -11.328
  136   2HG   ARG  18           HG1      ARG  18   0.467  -4.097 -10.650
  137   1HD   ARG  18           HD2      ARG  18   2.483  -5.110 -10.903
  138   2HD   ARG  18           HD1      ARG  18   1.897  -6.610 -10.184
  139    HE   ARG  18           HE       ARG  18   0.934  -6.172 -12.911
  140   1HH1  ARG  18          HH11      ARG  18   3.924  -6.626 -11.460
  141   2HH1  ARG  18          HH12      ARG  18   4.334  -8.069 -12.325
  142   1HH2  ARG  18          HH21      ARG  18   1.160  -8.333 -13.790
  143   2HH2  ARG  18          HH22      ARG  18   2.727  -9.061 -13.679
  144    H    LEU  19           HN       LEU  19  -2.044  -3.579  -6.675
  145    HA   LEU  19           HA       LEU  19  -2.476  -6.015  -5.103
  146   1HB   LEU  19           HB2      LEU  19  -1.600  -3.767  -4.220
  147   2HB   LEU  19           HB1      LEU  19  -3.268  -3.214  -4.307
  148    HG   LEU  19           HG       LEU  19  -3.661  -5.562  -3.028
  149   1HD1  LEU  19          HD11      LEU  19  -1.101  -5.877  -3.101
  150   2HD1  LEU  19          HD13      LEU  19  -1.024  -4.589  -1.904
  151   3HD1  LEU  19          HD12      LEU  19  -1.875  -6.085  -1.534
  152   1HD2  LEU  19          HD21      LEU  19  -2.772  -2.954  -1.745
  153   2HD2  LEU  19          HD23      LEU  19  -4.412  -3.343  -2.255
  154   3HD2  LEU  19          HD22      LEU  19  -3.669  -4.229  -0.927
  155    H    LEU  20           HN       LEU  20  -4.448  -3.528  -6.634
  156    HA   LEU  20           HA       LEU  20  -6.967  -4.430  -5.583
  157   1HB   LEU  20           HB2      LEU  20  -6.313  -2.899  -8.112
  158   2HB   LEU  20           HB1      LEU  20  -7.939  -3.119  -7.475
  159    HG   LEU  20           HG       LEU  20  -5.851  -2.072  -5.606
  160   1HD1  LEU  20          HD12      LEU  20  -7.209  -0.414  -7.760
  161   2HD1  LEU  20          HD11      LEU  20  -6.266   0.238  -6.423
  162   3HD1  LEU  20          HD13      LEU  20  -5.483  -0.746  -7.655
  163   1HD2  LEU  20          HD21      LEU  20  -8.188  -2.544  -4.888
  164   2HD2  LEU  20          HD23      LEU  20  -7.802  -0.833  -4.749
  165   3HD2  LEU  20          HD22      LEU  20  -8.775  -1.408  -6.098
  166    H    ALA  21           HN       ALA  21  -5.112  -5.252  -8.461
  167    HA   ALA  21           HA       ALA  21  -7.191  -6.952  -9.581
  168   1HB   ALA  21           HB3      ALA  21  -5.415  -5.880 -10.964
  169   2HB   ALA  21           HB2      ALA  21  -4.222  -6.915 -10.185
  170   3HB   ALA  21           HB1      ALA  21  -5.480  -7.625 -11.190
  171    H    GLU  22           HN       GLU  22  -4.401  -7.411  -7.508
  172    HA   GLU  22           HA       GLU  22  -4.217 -10.240  -7.611
  173   1HB   GLU  22           HB2      GLU  22  -2.550  -8.792  -6.496
  174   2HB   GLU  22           HB1      GLU  22  -3.722  -8.426  -5.235
  175   1HG   GLU  22           HG2      GLU  22  -3.782 -10.726  -4.510
  176   2HG   GLU  22           HG1      GLU  22  -2.862 -11.253  -5.917
  177    H    HIS  23           HN       HIS  23  -6.176  -8.147  -5.527
  178    HA   HIS  23           HA       HIS  23  -7.568 -10.546  -4.456
  179   1HB   HIS  23           HB2      HIS  23  -8.022  -7.675  -3.637
  180   2HB   HIS  23           HB1      HIS  23  -8.392  -9.135  -2.722
  181    HD1  HIS  23           HD1      HIS  23  -5.942 -10.573  -2.563
  182    HD2  HIS  23           HD2      HIS  23  -5.784  -6.518  -2.607
  183    HE1  HIS  23           HE1      HIS  23  -3.782 -10.022  -1.601
  184    H    ASN  24           HN       ASN  24  -7.848  -8.550  -7.035
  185    HA   ASN  24           HA       ASN  24  -9.627  -7.960  -8.455
  186   1HB   ASN  24           HB2      ASN  24 -10.904 -10.352  -7.098
  187   2HB   ASN  24           HB1      ASN  24 -11.407  -9.646  -8.632
  188   1HD2  ASN  24          HD22      ASN  24  -8.774 -12.497  -8.896
  189   2HD2  ASN  24          HD21      ASN  24 -10.033 -12.342  -7.769
  190    H    LEU  25           HN       LEU  25  -9.747  -6.080  -6.833
  191    HA   LEU  25           HA       LEU  25 -12.567  -5.917  -5.889
  192   1HB   LEU  25           HB2      LEU  25 -10.087  -5.548  -4.262
  193   2HB   LEU  25           HB1      LEU  25 -11.464  -4.506  -3.926
  194    HG   LEU  25           HG       LEU  25 -11.936  -7.455  -4.226
  195   1HD1  LEU  25          HD11      LEU  25 -10.480  -6.077  -1.997
  196   2HD1  LEU  25          HD13      LEU  25 -11.624  -7.349  -1.581
  197   3HD1  LEU  25          HD12      LEU  25 -10.258  -7.703  -2.634
  198   1HD2  LEU  25          HD21      LEU  25 -13.643  -5.457  -3.844
  199   2HD2  LEU  25          HD23      LEU  25 -13.871  -6.991  -3.009
  200   3HD2  LEU  25          HD22      LEU  25 -13.137  -5.630  -2.166
  201    H    ASP  26           HN       ASP  26 -13.476  -3.874  -6.044
  202    HA   ASP  26           HA       ASP  26 -11.941  -1.972  -7.723
  203   1HB   ASP  26           HB2      ASP  26 -14.845  -1.759  -6.910
  204   2HB   ASP  26           HB1      ASP  26 -14.047  -0.990  -8.279
  205    H    ALA  27           HN       ALA  27 -10.810  -0.458  -6.685
  206    HA   ALA  27           HA       ALA  27 -11.146   0.253  -3.947
  207   1HB   ALA  27           HB1      ALA  27  -9.393   0.938  -6.065
  208   2HB   ALA  27           HB3      ALA  27 -10.032   2.451  -5.431
  209   3HB   ALA  27           HB2      ALA  27  -9.210   1.324  -4.356
  210    H    SER  28           HN       SER  28 -12.792   1.272  -6.794
  211    HA   SER  28           HA       SER  28 -13.719   3.832  -6.093
  212   1HB   SER  28           HB2      SER  28 -15.928   2.601  -7.286
  213   2HB   SER  28           HB1      SER  28 -14.604   3.404  -8.152
  214    HG   SER  28           HG1      SER  28 -14.529   0.728  -7.206
  215    H    ALA  29           HN       ALA  29 -14.461   0.773  -4.702
  216    HA   ALA  29           HA       ALA  29 -16.893   1.772  -3.359
  217   1HB   ALA  29           HB2      ALA  29 -16.283  -0.691  -4.217
  218   2HB   ALA  29           HB1      ALA  29 -15.639  -0.817  -2.583
  219   3HB   ALA  29           HB3      ALA  29 -17.337  -0.426  -2.832
  220    H    ILE  30           HN       ILE  30 -13.519   1.459  -2.764
  221    HA   ILE  30           HA       ILE  30 -13.867   1.749   0.160
  222    HB   ILE  30           HB       ILE  30 -11.291   1.677  -1.433
  223   1HG1  ILE  30          HG12      ILE  30 -12.525  -0.351  -1.942
  224   2HG1  ILE  30          HG11      ILE  30 -11.249  -0.767  -0.809
  225   1HG2  ILE  30          HG22      ILE  30 -11.995   1.680   1.468
  226   2HG2  ILE  30          HG21      ILE  30 -10.709   0.585   0.982
  227   3HG2  ILE  30          HG23      ILE  30 -10.567   2.306   0.658
  228   1HD1  ILE  30           HD3      ILE  30 -13.079  -0.341   1.024
  229   2HD1  ILE  30           HD2      ILE  30 -14.215  -0.516  -0.308
  230   3HD1  ILE  30           HD1      ILE  30 -13.136  -1.841   0.111
  231    H    LYS  31           HN       LYS  31 -14.126   3.731   0.972
  232    HA   LYS  31           HA       LYS  31 -13.213   6.072  -0.591
  233   1HB   LYS  31           HB2      LYS  31 -14.366   7.182   1.566
  234   2HB   LYS  31           HB1      LYS  31 -15.302   6.616   0.187
  235   1HG   LYS  31           HG2      LYS  31 -15.764   4.505   1.277
  236   2HG   LYS  31           HG1      LYS  31 -14.641   4.875   2.581
  237   1HD   LYS  31           HD2      LYS  31 -16.790   6.875   2.102
  238   2HD   LYS  31           HD1      LYS  31 -17.308   5.328   2.763
  239   1HE   LYS  31           HE2      LYS  31 -15.734   5.535   4.613
  240   2HE   LYS  31           HE1      LYS  31 -15.052   6.999   3.916
  241   1HZ   LYS  31           HZ1      LYS  31 -17.893   6.743   4.714
  242   2HZ   LYS  31           HZ3      LYS  31 -16.684   7.362   5.733
  243   3HZ   LYS  31           HZ2      LYS  31 -17.063   8.160   4.282
  244    H    GLY  32           HN       GLY  32 -11.277   6.932  -0.218
  245   1HA   GLY  32           HA2      GLY  32  -9.690   6.156   2.092
  246   2HA   GLY  32           HA1      GLY  32  -9.207   7.312   0.853
  247    H    THR  33           HN       THR  33  -9.493   7.186   3.991
  248    HA   THR  33           HA       THR  33 -11.140   9.581   4.460
  249    HB   THR  33           HB       THR  33 -10.858   9.109   6.787
  250    HG1  THR  33           HG1      THR  33  -8.748   8.979   7.124
  251   1HG2  THR  33          HG22      THR  33 -11.862   7.108   5.474
  252   2HG2  THR  33          HG21      THR  33 -10.257   6.390   5.581
  253   3HG2  THR  33          HG23      THR  33 -11.166   6.737   7.048
  254    H    GLY  34           HN       GLY  34  -8.609   9.623   2.827
  255   1HA   GLY  34           HA2      GLY  34  -6.559  10.981   4.290
  256   2HA   GLY  34           HA1      GLY  34  -6.768  11.056   2.543
  257    H    VAL  35           HN       VAL  35  -5.943  13.329   3.446
  258    HA   VAL  35           HA       VAL  35  -7.992  15.084   4.509
  259    HB   VAL  35           HB       VAL  35  -5.386  15.710   3.093
  260   1HG1  VAL  35          HG12      VAL  35  -7.463  17.408   4.473
  261   2HG1  VAL  35          HG11      VAL  35  -5.774  17.906   4.465
  262   3HG1  VAL  35          HG13      VAL  35  -6.640  17.703   2.945
  263   1HG2  VAL  35          HG23      VAL  35  -5.693  14.459   5.485
  264   2HG2  VAL  35          HG22      VAL  35  -4.365  15.565   5.148
  265   3HG2  VAL  35          HG21      VAL  35  -5.790  16.138   6.009
  266    H    GLY  36           HN       GLY  36  -7.541  13.713   1.496
  267   1HA   GLY  36           HA2      GLY  36  -9.484  15.607   0.311
  268   2HA   GLY  36           HA1      GLY  36  -7.957  15.398  -0.543
  269    H    GLY  37           HN       GLY  37  -9.574  12.833   1.210
  270   1HA   GLY  37           HA2      GLY  37 -10.702  10.912   0.431
  271   2HA   GLY  37           HA1      GLY  37 -10.869  11.705  -1.134
  272    NH1  ARG  38           NH1      ARG  38  -1.394  13.709  -2.301
  273    NH2  ARG  38           NH2      ARG  38  -0.443  11.834  -1.407
  274    H    ARG  38           HN       ARG  38  -7.692  11.686   0.055
  275    HA   ARG  38           HA       ARG  38  -6.702  10.110  -2.121
  276   1HB   ARG  38           HB2      ARG  38  -5.476  11.051   0.469
  277   2HB   ARG  38           HB1      ARG  38  -4.570  10.065  -0.672
  278   1HG   ARG  38           HG2      ARG  38  -5.056  11.740  -2.460
  279   2HG   ARG  38           HG1      ARG  38  -5.879  12.741  -1.268
  280   1HD   ARG  38           HD2      ARG  38  -3.737  13.667  -1.204
  281   2HD   ARG  38           HD1      ARG  38  -3.600  12.453   0.067
  282    HE   ARG  38           HE       ARG  38  -2.825  11.079  -2.196
  283   1HH1  ARG  38          HH11      ARG  38  -2.215  14.189  -2.609
  284   2HH1  ARG  38          HH12      ARG  38  -0.501  14.156  -2.362
  285   1HH2  ARG  38          HH21      ARG  38  -0.552  10.908  -1.044
  286   2HH2  ARG  38          HH22      ARG  38   0.465  12.249  -1.452
  287    H    LEU  39           HN       LEU  39  -6.263   7.971  -2.303
  288    HA   LEU  39           HA       LEU  39  -7.264   6.220  -0.142
  289   1HB   LEU  39           HB2      LEU  39  -7.936   5.824  -2.517
  290   2HB   LEU  39           HB1      LEU  39  -6.253   5.505  -2.910
  291    HG   LEU  39           HG       LEU  39  -6.239   3.632  -1.256
  292   1HD1  LEU  39          HD11      LEU  39  -8.970   4.716  -0.751
  293   2HD1  LEU  39          HD13      LEU  39  -8.815   2.964  -0.755
  294   3HD1  LEU  39          HD12      LEU  39  -7.854   3.930   0.360
  295   1HD2  LEU  39          HD23      LEU  39  -6.788   3.235  -3.654
  296   2HD2  LEU  39          HD22      LEU  39  -7.616   2.100  -2.593
  297   3HD2  LEU  39          HD21      LEU  39  -8.494   3.463  -3.282
  298    H    THR  40           HN       THR  40  -5.878   5.579   1.378
  299    HA   THR  40           HA       THR  40  -2.978   5.528   0.789
  300    HB   THR  40           HB       THR  40  -2.660   5.494   3.173
  301    HG1  THR  40           HG1      THR  40  -5.410   4.783   3.309
  302   1HG2  THR  40          HG21      THR  40  -3.945   7.582   2.300
  303   2HG2  THR  40          HG23      THR  40  -5.386   6.803   2.947
  304   3HG2  THR  40          HG22      THR  40  -4.065   7.246   4.024
  305    NH1  ARG  41           NH2      ARG  41   3.616  -0.404   1.648
  306    NH2  ARG  41           NH1      ARG  41   2.777  -2.214   2.763
  307    H    ARG  41           HN       ARG  41  -1.848   3.609   2.067
  308    HA   ARG  41           HA       ARG  41  -2.918   1.149   0.827
  309   1HB   ARG  41           HB2      ARG  41  -0.447   1.951   0.778
  310   2HB   ARG  41           HB1      ARG  41  -0.371   1.323   2.420
  311   1HG   ARG  41           HG2      ARG  41  -1.155  -0.882   1.615
  312   2HG   ARG  41           HG1      ARG  41  -1.238  -0.253  -0.027
  313   1HD   ARG  41           HD2      ARG  41   0.878  -1.419   0.209
  314   2HD   ARG  41           HD1      ARG  41   1.227   0.307   0.155
  315    HE   ARG  41           HE       ARG  41   0.943  -0.257   2.867
  316   1HH1  ARG  41          HH21      ARG  41   3.453   0.472   1.192
  317   2HH1  ARG  41          HH22      ARG  41   4.544  -0.771   1.710
  318   1HH2  ARG  41          HH11      ARG  41   1.988  -2.695   3.143
  319   2HH2  ARG  41          HH12      ARG  41   3.692  -2.611   2.844
  320    H    GLU  42           HN       GLU  42  -3.158   2.707   3.764
  321    HA   GLU  42           HA       GLU  42  -3.305   0.208   5.356
  322   1HB   GLU  42           HB2      GLU  42  -2.434   2.733   5.990
  323   2HB   GLU  42           HB1      GLU  42  -4.062   2.736   6.657
  324   1HG   GLU  42           HG2      GLU  42  -1.892   0.684   7.216
  325   2HG   GLU  42           HG1      GLU  42  -2.513   1.883   8.348
  326    H    ASP  43           HN       ASP  43  -5.304   1.900   3.373
  327    HA   ASP  43           HA       ASP  43  -7.736   1.552   5.034
  328   1HB   ASP  43           HB2      ASP  43  -7.106   2.963   2.463
  329   2HB   ASP  43           HB1      ASP  43  -8.776   2.526   2.819
  330    H    VAL  44           HN       VAL  44  -6.629   0.641   1.773
  331    HA   VAL  44           HA       VAL  44  -8.725  -1.189   1.213
  332    HB   VAL  44           HB       VAL  44  -5.848  -1.373   0.281
  333   1HG1  VAL  44          HG11      VAL  44  -8.470  -2.358  -0.897
  334   2HG1  VAL  44          HG13      VAL  44  -6.904  -2.459  -1.697
  335   3HG1  VAL  44          HG12      VAL  44  -7.198  -3.370  -0.220
  336   1HG2  VAL  44          HG23      VAL  44  -7.799   0.683  -0.103
  337   2HG2  VAL  44          HG22      VAL  44  -6.219   0.537  -0.866
  338   3HG2  VAL  44          HG21      VAL  44  -7.633  -0.189  -1.625
  339    H    GLU  45           HN       GLU  45  -5.533  -1.751   2.660
  340    HA   GLU  45           HA       GLU  45  -5.662  -4.544   2.958
  341   1HB   GLU  45           HB2      GLU  45  -3.996  -2.478   3.870
  342   2HB   GLU  45           HB1      GLU  45  -4.531  -3.313   5.325
  343   1HG   GLU  45           HG2      GLU  45  -2.538  -4.441   4.529
  344   2HG   GLU  45           HG1      GLU  45  -3.909  -5.496   4.194
  345    H    LYS  46           HN       LYS  46  -7.145  -2.018   4.897
  346    HA   LYS  46           HA       LYS  46  -8.029  -3.774   7.018
  347   1HB   LYS  46           HB2      LYS  46  -7.869  -1.100   6.808
  348   2HB   LYS  46           HB1      LYS  46  -9.568  -1.303   6.395
  349   1HG   LYS  46           HG2      LYS  46  -9.915  -2.606   8.477
  350   2HG   LYS  46           HG1      LYS  46  -8.217  -2.398   8.891
  351   1HD   LYS  46           HD2      LYS  46  -9.785   0.070   8.272
  352   2HD   LYS  46           HD1      LYS  46 -10.103  -0.725   9.808
  353   1HE   LYS  46           HE2      LYS  46  -7.270  -0.195   8.922
  354   2HE   LYS  46           HE1      LYS  46  -8.208   1.070   9.707
  355   1HZ   LYS  46           HZ1      LYS  46  -8.241  -1.532  10.994
  356   2HZ   LYS  46           HZ3      LYS  46  -6.760  -0.702  11.030
  357   3HZ   LYS  46           HZ2      LYS  46  -8.155   0.021  11.675
  358    H    HIS  47           HN       HIS  47  -9.397  -2.707   3.969
  359    HA   HIS  47           HA       HIS  47 -12.064  -3.676   4.432
  360   1HB   HIS  47           HB2      HIS  47 -11.677  -2.115   2.633
  361   2HB   HIS  47           HB1      HIS  47 -10.512  -3.199   1.877
  362    HD1  HIS  47           HD1      HIS  47 -14.126  -2.890   2.439
  363    HD2  HIS  47           HD2      HIS  47 -11.596  -5.302   0.379
  364    HE1  HIS  47           HE1      HIS  47 -15.563  -4.227   1.011
  365    H    LEU  48           HN       LEU  48  -9.097  -5.232   3.612
  366    HA   LEU  48           HA       LEU  48 -10.359  -7.645   2.540
  367   1HB   LEU  48           HB2      LEU  48  -7.539  -6.883   3.273
  368   2HB   LEU  48           HB1      LEU  48  -7.950  -8.541   2.852
  369    HG   LEU  48           HG       LEU  48  -8.929  -6.369   1.041
  370   1HD1  LEU  48          HD12      LEU  48  -6.056  -7.187   1.431
  371   2HD1  LEU  48          HD11      LEU  48  -6.630  -6.752  -0.176
  372   3HD1  LEU  48          HD13      LEU  48  -6.718  -5.582   1.136
  373   1HD2  LEU  48          HD21      LEU  48  -9.243  -8.988   0.919
  374   2HD2  LEU  48          HD23      LEU  48  -8.904  -8.085  -0.553
  375   3HD2  LEU  48          HD22      LEU  48  -7.611  -8.958   0.261
  376    H    ALA  49           HN       ALA  49  -8.263  -7.136   5.378
  377    HA   ALA  49           HA       ALA  49 -10.092  -8.814   6.991
  378   1HB   ALA  49           HB3      ALA  49  -7.163  -9.486   6.602
  379   2HB   ALA  49           HB2      ALA  49  -8.258 -10.299   7.717
  380   3HB   ALA  49           HB1      ALA  49  -8.521 -10.420   5.980
  381    H    LYS  50           HN       LYS  50  -9.422  -8.837   9.307
  382    HA   LYS  50           HA       LYS  50  -8.545  -6.138  10.076
  383   1HB   LYS  50           HB2      LYS  50 -10.036  -8.338  11.310
  384   2HB   LYS  50           HB1      LYS  50  -8.913  -7.558  12.418
  385   1HG   LYS  50           HG2      LYS  50  -9.885  -5.388  11.996
  386   2HG   LYS  50           HG1      LYS  50 -10.856  -6.020  10.671
  387   1HD   LYS  50           HD2      LYS  50 -12.447  -6.830  12.080
  388   2HD   LYS  50           HD1      LYS  50 -11.248  -7.477  13.195
  389   1HE   LYS  50           HE2      LYS  50 -11.997  -4.542  12.984
  390   2HE   LYS  50           HE1      LYS  50 -12.614  -5.642  14.210
  391   1HZ   LYS  50           HZ1      LYS  50  -9.714  -5.395  13.848
  392   2HZ   LYS  50           HZ3      LYS  50 -10.547  -4.173  14.683
  393   3HZ   LYS  50           HZ2      LYS  50 -10.601  -5.775  15.245
  394    H    ALA  51           HN       ALA  51  -6.749  -5.676  11.365
  395    HA   ALA  51           HA       ALA  51  -4.871  -7.893  11.964
  396   1HB   ALA  51           HB3      ALA  51  -4.244  -7.100   9.714
  397   2HB   ALA  51           HB2      ALA  51  -4.105  -5.457  10.333
  398   3HB   ALA  51           HB1      ALA  51  -2.995  -6.704  10.891
   
 Raw file had 398 H/Q atoms
  Start of MODEL   16
    1    OH   TYR   1           OH       TYR   1  29.396  -1.951   9.500
    2   1H    TYR   1           HT1      TYR   1  25.553   1.999   5.784
    3   2H    TYR   1           HT3      TYR   1  26.420   0.629   5.279
    4   3H    TYR   1           HT2      TYR   1  26.705   1.297   6.815
    5    HA   TYR   1           HA       TYR   1  27.665   3.248   5.888
    6   1HB   TYR   1           HB2      TYR   1  28.863   1.079   4.194
    7   2HB   TYR   1           HB1      TYR   1  29.672   2.338   5.124
    8    HD1  TYR   1           HD1      TYR   1  27.902  -0.899   5.358
    9    HD2  TYR   1           HD2      TYR   1  30.120   2.040   7.487
   10    HE1  TYR   1           HE1      TYR   1  28.137  -2.446   7.247
   11    HE2  TYR   1           HE2      TYR   1  30.356   0.493   9.376
   12    HH   TYR   1           HH       TYR   1  30.011  -2.642   9.243
   13    H    ALA   2           HN       ALA   2  28.954   2.763   3.190
   14    HA   ALA   2           HA       ALA   2  26.646   3.217   1.383
   15   1HB   ALA   2           HB2      ALA   2  28.269   5.329   2.442
   16   2HB   ALA   2           HB1      ALA   2  28.582   5.190   0.715
   17   3HB   ALA   2           HB3      ALA   2  26.938   5.444   1.295
   18    H    SER   3           HN       SER   3  26.972   2.004  -0.365
   19    HA   SER   3           HA       SER   3  29.697   1.843  -1.528
   20   1HB   SER   3           HB2      SER   3  28.030  -0.604  -0.836
   21   2HB   SER   3           HB1      SER   3  29.587  -0.618  -1.689
   22    HG   SER   3           HG1      SER   3  30.580  -0.180   0.117
   23    H    LEU   4           HN       LEU   4  28.991  -0.236  -3.363
   24    HA   LEU   4           HA       LEU   4  27.874   1.261  -5.483
   25   1HB   LEU   4           HB2      LEU   4  27.864  -1.746  -5.107
   26   2HB   LEU   4           HB1      LEU   4  27.592  -0.917  -6.634
   27    HG   LEU   4           HG       LEU   4  30.112  -0.662  -4.947
   28   1HD1  LEU   4          HD13      LEU   4  29.768  -2.923  -5.997
   29   2HD1  LEU   4          HD12      LEU   4  29.682  -2.133  -7.568
   30   3HD1  LEU   4          HD11      LEU   4  31.171  -2.069  -6.632
   31   1HD2  LEU   4          HD21      LEU   4  29.131   0.594  -7.489
   32   2HD2  LEU   4          HD23      LEU   4  30.107   1.294  -6.202
   33   3HD2  LEU   4          HD22      LEU   4  30.843   0.202  -7.370
   34    H    GLU   5           HN       GLU   5  26.189  -1.653  -4.451
   35    HA   GLU   5           HA       GLU   5  23.623  -0.172  -4.723
   36   1HB   GLU   5           HB2      GLU   5  23.523  -3.077  -4.262
   37   2HB   GLU   5           HB1      GLU   5  22.723  -2.108  -5.494
   38   1HG   GLU   5           HG2      GLU   5  24.994  -1.879  -6.630
   39   2HG   GLU   5           HG1      GLU   5  25.590  -3.096  -5.503
   40    H    GLU   6           HN       GLU   6  21.924  -0.558  -3.152
   41    HA   GLU   6           HA       GLU   6  22.871  -1.472  -0.479
   42   1HB   GLU   6           HB2      GLU   6  22.462   1.246  -1.216
   43   2HB   GLU   6           HB1      GLU   6  21.152   0.794  -0.131
   44   1HG   GLU   6           HG2      GLU   6  23.033   1.586   1.209
   45   2HG   GLU   6           HG1      GLU   6  22.865  -0.151   1.453
   46    H    GLN   7           HN       GLN   7  21.359  -2.582   0.650
   47    HA   GLN   7           HA       GLN   7  18.776  -3.071  -0.701
   48   1HB   GLN   7           HB2      GLN   7  20.515  -4.541   1.097
   49   2HB   GLN   7           HB1      GLN   7  18.856  -4.545   1.682
   50   1HG   GLN   7           HG2      GLN   7  18.060  -5.346  -0.502
   51   2HG   GLN   7           HG1      GLN   7  19.698  -5.274  -1.146
   52   1HE2  GLN   7          HE22      GLN   7  19.717  -8.732  -0.244
   53   2HE2  GLN   7          HE21      GLN   7  19.489  -7.652  -1.533
   54    H    ASN   8           HN       ASN   8  19.669  -0.639   1.056
   55    HA   ASN   8           HA       ASN   8  17.537  -0.730   3.110
   56   1HB   ASN   8           HB2      ASN   8  19.910   0.996   2.569
   57   2HB   ASN   8           HB1      ASN   8  18.555   1.720   3.432
   58   1HD2  ASN   8          HD22      ASN   8  20.891  -1.053   5.277
   59   2HD2  ASN   8          HD21      ASN   8  21.139  -0.646   3.648
   60    H    ASN   9           HN       ASN   9  15.754  -0.727   1.618
   61    HA   ASN   9           HA       ASN   9  14.929   1.999   0.907
   62   1HB   ASN   9           HB2      ASN   9  14.528   1.508  -1.462
   63   2HB   ASN   9           HB1      ASN   9  16.233   1.273  -1.084
   64   1HD2  ASN   9          HD22      ASN   9  14.820  -1.713  -2.957
   65   2HD2  ASN   9          HD21      ASN   9  14.756  -0.045  -3.264
   66    H    ASP  10           HN       ASP  10  12.911   2.093   1.656
   67    HA   ASP  10           HA       ASP  10  11.006  -0.056   0.953
   68   1HB   ASP  10           HB2      ASP  10  12.132  -0.547   3.226
   69   2HB   ASP  10           HB1      ASP  10  11.202   0.822   3.831
   70    H    ALA  11           HN       ALA  11   9.022   0.749   0.538
   71    HA   ALA  11           HA       ALA  11   8.063   3.204   1.810
   72   1HB   ALA  11           HB1      ALA  11   9.643   3.778  -0.225
   73   2HB   ALA  11           HB3      ALA  11   8.226   3.352  -1.178
   74   3HB   ALA  11           HB2      ALA  11   8.136   4.660  -0.002
   75    H    LEU  12           HN       LEU  12   6.155   3.851  -0.190
   76    HA   LEU  12           HA       LEU  12   3.970   2.271   0.448
   77   1HB   LEU  12           HB2      LEU  12   4.570   3.666  -2.170
   78   2HB   LEU  12           HB1      LEU  12   2.994   2.995  -1.765
   79    HG   LEU  12           HG       LEU  12   4.234   4.762   0.285
   80   1HD1  LEU  12          HD12      LEU  12   3.109   5.789  -2.344
   81   2HD1  LEU  12          HD11      LEU  12   3.429   6.792  -0.934
   82   3HD1  LEU  12          HD13      LEU  12   4.760   5.999  -1.769
   83   1HD2  LEU  12          HD23      LEU  12   1.984   3.708   0.521
   84   2HD2  LEU  12          HD22      LEU  12   1.889   5.466   0.525
   85   3HD2  LEU  12          HD21      LEU  12   1.452   4.563  -0.923
   86    H    SER  13           HN       SER  13   2.861   0.545  -0.624
   87    HA   SER  13           HA       SER  13   4.536  -1.612  -1.406
   88   1HB   SER  13           HB2      SER  13   1.957  -2.142  -2.418
   89   2HB   SER  13           HB1      SER  13   2.598  -2.635  -0.837
   90    HG   SER  13           HG1      SER  13   0.796  -1.276  -0.567
   91    HA   PRO  14           HA       PRO  14   5.116  -0.045  -5.649
   92   1HB   PRO  14           HB2      PRO  14   6.383  -2.502  -6.437
   93   2HB   PRO  14           HB1      PRO  14   7.132  -0.928  -6.167
   94   1HG   PRO  14           HG2      PRO  14   7.312  -3.267  -4.483
   95   2HG   PRO  14           HG1      PRO  14   8.034  -1.682  -4.198
   96   1HD   PRO  14           HD1      PRO  14   5.771  -2.879  -2.850
   97   2HD   PRO  14           HD2      PRO  14   6.521  -1.301  -2.533
   98    H    ALA  15           HN       ALA  15   3.605  -2.936  -4.578
   99    HA   ALA  15           HA       ALA  15   2.410  -3.453  -7.253
  100   1HB   ALA  15           HB2      ALA  15   3.330  -5.368  -5.949
  101   2HB   ALA  15           HB1      ALA  15   2.145  -5.042  -4.688
  102   3HB   ALA  15           HB3      ALA  15   1.612  -5.547  -6.287
  103    H    ILE  16           HN       ILE  16   1.776  -1.676  -4.517
  104    HA   ILE  16           HA       ILE  16  -0.893  -2.030  -3.842
  105    HB   ILE  16           HB       ILE  16   0.677  -0.248  -2.957
  106   1HG1  ILE  16          HG12      ILE  16  -2.094   0.634  -3.841
  107   2HG1  ILE  16          HG11      ILE  16  -1.733  -0.288  -2.386
  108   1HG2  ILE  16          HG23      ILE  16   1.152   0.535  -5.390
  109   2HG2  ILE  16          HG22      ILE  16  -0.356   1.431  -5.241
  110   3HG2  ILE  16          HG21      ILE  16   0.982   1.770  -4.147
  111   1HD1  ILE  16           HD3      ILE  16  -0.077   1.702  -1.880
  112   2HD1  ILE  16           HD2      ILE  16  -1.100   2.585  -3.009
  113   3HD1  ILE  16           HD1      ILE  16  -1.795   1.897  -1.546
  114    NH1  ARG  17           NH1      ARG  17  -1.681   2.804 -11.307
  115    NH2  ARG  17           NH2      ARG  17  -0.314   4.627 -11.472
  116    H    ARG  17           HN       ARG  17   0.403  -0.934  -6.857
  117    HA   ARG  17           HA       ARG  17  -2.155   0.118  -7.832
  118   1HB   ARG  17           HB2      ARG  17   0.338  -0.537  -9.419
  119   2HB   ARG  17           HB1      ARG  17  -0.978   0.524  -9.906
  120   1HG   ARG  17           HG2      ARG  17  -0.411   1.810  -7.687
  121   2HG   ARG  17           HG1      ARG  17   1.134   0.976  -7.808
  122   1HD   ARG  17           HD2      ARG  17   1.652   2.831  -9.085
  123   2HD   ARG  17           HD1      ARG  17   0.930   1.841 -10.354
  124    HE   ARG  17           HE       ARG  17  -0.677   3.863  -8.840
  125   1HH1  ARG  17          HH11      ARG  17  -2.013   2.028 -10.771
  126   2HH1  ARG  17          HH12      ARG  17  -2.041   2.967 -12.225
  127   1HH2  ARG  17          HH21      ARG  17   0.378   5.219 -11.058
  128   2HH2  ARG  17          HH22      ARG  17  -0.652   4.822 -12.392
  129    NH1  ARG  18           NH1      ARG  18   2.706  -2.510 -13.286
  130    NH2  ARG  18           NH2      ARG  18   4.548  -3.750 -12.746
  131    H    ARG  18           HN       ARG  18  -0.271  -2.831  -8.118
  132    HA   ARG  18           HA       ARG  18  -2.360  -4.000  -9.899
  133   1HB   ARG  18           HB2      ARG  18   0.118  -5.492  -9.165
  134   2HB   ARG  18           HB1      ARG  18  -0.757  -5.461 -10.691
  135   1HG   ARG  18           HG2      ARG  18   0.001  -3.056 -10.969
  136   2HG   ARG  18           HG1      ARG  18   1.036  -3.288  -9.564
  137   1HD   ARG  18           HD2      ARG  18   1.872  -5.413 -10.883
  138   2HD   ARG  18           HD1      ARG  18   1.229  -4.560 -12.284
  139    HE   ARG  18           HE       ARG  18   3.214  -3.243 -10.478
  140   1HH1  ARG  18          HH11      ARG  18   1.801  -2.165 -13.034
  141   2HH1  ARG  18          HH12      ARG  18   3.105  -2.268 -14.170
  142   1HH2  ARG  18          HH21      ARG  18   5.024  -4.335 -12.089
  143   2HH2  ARG  18          HH22      ARG  18   4.978  -3.528 -13.621
  144    H    LEU  19           HN       LEU  19  -1.865  -3.684  -6.710
  145    HA   LEU  19           HA       LEU  19  -2.300  -6.446  -5.854
  146   1HB   LEU  19           HB2      LEU  19  -1.184  -4.453  -4.556
  147   2HB   LEU  19           HB1      LEU  19  -2.841  -4.070  -4.105
  148    HG   LEU  19           HG       LEU  19  -2.904  -6.701  -3.589
  149   1HD1  LEU  19          HD13      LEU  19  -0.542  -6.990  -4.373
  150   2HD1  LEU  19          HD12      LEU  19  -0.015  -5.915  -3.082
  151   3HD1  LEU  19          HD11      LEU  19  -0.758  -7.462  -2.690
  152   1HD2  LEU  19          HD21      LEU  19  -1.671  -4.583  -1.794
  153   2HD2  LEU  19          HD23      LEU  19  -3.389  -4.928  -1.958
  154   3HD2  LEU  19          HD22      LEU  19  -2.317  -6.121  -1.232
  155    H    LEU  20           HN       LEU  20  -4.256  -3.975  -7.066
  156    HA   LEU  20           HA       LEU  20  -6.681  -4.768  -5.611
  157   1HB   LEU  20           HB2      LEU  20  -6.295  -2.929  -7.988
  158   2HB   LEU  20           HB1      LEU  20  -7.803  -3.136  -7.106
  159    HG   LEU  20           HG       LEU  20  -5.343  -2.469  -5.532
  160   1HD1  LEU  20          HD11      LEU  20  -6.940  -0.478  -7.183
  161   2HD1  LEU  20          HD13      LEU  20  -5.755  -0.045  -5.954
  162   3HD1  LEU  20          HD12      LEU  20  -5.242  -0.885  -7.414
  163   1HD2  LEU  20          HD23      LEU  20  -7.532  -2.920  -4.444
  164   2HD2  LEU  20          HD22      LEU  20  -7.016  -1.258  -4.178
  165   3HD2  LEU  20          HD21      LEU  20  -8.255  -1.615  -5.377
  166    H    ALA  21           HN       ALA  21  -5.255  -5.254  -8.791
  167    HA   ALA  21           HA       ALA  21  -7.586  -6.805  -9.711
  168   1HB   ALA  21           HB2      ALA  21  -5.746  -5.298 -11.041
  169   2HB   ALA  21           HB1      ALA  21  -5.078  -6.910 -11.272
  170   3HB   ALA  21           HB3      ALA  21  -6.717  -6.552 -11.805
  171    H    GLU  22           HN       GLU  22  -5.042  -7.425  -7.724
  172    HA   GLU  22           HA       GLU  22  -4.519 -10.165  -8.708
  173   1HB   GLU  22           HB2      GLU  22  -2.821  -8.459  -7.605
  174   2HB   GLU  22           HB1      GLU  22  -3.454  -9.137  -6.108
  175   1HG   GLU  22           HG2      GLU  22  -2.967 -11.437  -7.026
  176   2HG   GLU  22           HG1      GLU  22  -2.176 -10.667  -8.399
  177    H    HIS  23           HN       HIS  23  -6.631  -8.565  -6.603
  178    HA   HIS  23           HA       HIS  23  -7.467 -11.185  -5.435
  179   1HB   HIS  23           HB2      HIS  23  -7.377  -8.586  -3.888
  180   2HB   HIS  23           HB1      HIS  23  -7.797 -10.174  -3.259
  181    HD1  HIS  23           HD1      HIS  23  -5.632 -11.872  -4.001
  182    HD2  HIS  23           HD2      HIS  23  -4.827  -7.981  -3.172
  183    HE1  HIS  23           HE1      HIS  23  -3.265 -11.825  -3.463
  184    H    ASN  24           HN       ASN  24  -8.335  -8.942  -7.485
  185    HA   ASN  24           HA       ASN  24 -10.397  -8.138  -8.277
  186   1HB   ASN  24           HB2      ASN  24 -10.853 -10.649  -7.966
  187   2HB   ASN  24           HB1      ASN  24 -11.677 -10.195  -6.477
  188   1HD2  ASN  24          HD22      ASN  24 -14.029  -8.094  -8.500
  189   2HD2  ASN  24          HD21      ASN  24 -12.892  -7.767  -7.284
  190    H    LEU  25           HN       LEU  25  -9.793  -6.239  -6.872
  191    HA   LEU  25           HA       LEU  25 -11.865  -5.849  -4.738
  192   1HB   LEU  25           HB2      LEU  25  -9.095  -4.634  -4.822
  193   2HB   LEU  25           HB1      LEU  25 -10.281  -4.435  -3.538
  194    HG   LEU  25           HG       LEU  25  -9.083  -7.089  -4.403
  195   1HD1  LEU  25          HD13      LEU  25  -7.439  -5.603  -3.286
  196   2HD1  LEU  25          HD12      LEU  25  -8.556  -5.388  -1.942
  197   3HD1  LEU  25          HD11      LEU  25  -7.857  -6.972  -2.259
  198   1HD2  LEU  25          HD23      LEU  25 -11.242  -6.281  -2.515
  199   2HD2  LEU  25          HD22      LEU  25 -11.037  -7.784  -3.407
  200   3HD2  LEU  25          HD21      LEU  25 -10.118  -7.503  -1.933
  201    H    ASP  26           HN       ASP  26 -12.975  -3.930  -4.759
  202    HA   ASP  26           HA       ASP  26 -12.591  -2.249  -7.188
  203   1HB   ASP  26           HB2      ASP  26 -14.925  -1.410  -5.932
  204   2HB   ASP  26           HB1      ASP  26 -14.830  -2.536  -7.284
  205    H    ALA  27           HN       ALA  27 -10.909  -0.916  -6.487
  206    HA   ALA  27           HA       ALA  27 -10.582   0.353  -4.025
  207   1HB   ALA  27           HB2      ALA  27 -10.019   1.372  -6.816
  208   2HB   ALA  27           HB1      ALA  27  -9.507   2.230  -5.366
  209   3HB   ALA  27           HB3      ALA  27  -8.887   0.617  -5.700
  210    H    SER  28           HN       SER  28 -12.520   1.491  -6.775
  211    HA   SER  28           HA       SER  28 -13.400   3.948  -5.787
  212   1HB   SER  28           HB2      SER  28 -15.697   3.012  -6.953
  213   2HB   SER  28           HB1      SER  28 -14.310   3.615  -7.880
  214    HG   SER  28           HG1      SER  28 -14.230   1.000  -6.897
  215    H    ALA  29           HN       ALA  29 -14.443   0.728  -4.870
  216    HA   ALA  29           HA       ALA  29 -16.702   1.580  -3.284
  217   1HB   ALA  29           HB3      ALA  29 -16.341  -0.754  -4.146
  218   2HB   ALA  29           HB2      ALA  29 -15.059  -0.941  -2.954
  219   3HB   ALA  29           HB1      ALA  29 -16.720  -0.685  -2.428
  220    H    ILE  30           HN       ILE  30 -13.297   0.994  -2.590
  221    HA   ILE  30           HA       ILE  30 -13.516   1.272   0.264
  222    HB   ILE  30           HB       ILE  30 -11.249   1.497  -1.705
  223   1HG1  ILE  30          HG12      ILE  30 -12.315  -0.726  -0.859
  224   2HG1  ILE  30          HG11      ILE  30 -10.565  -0.591  -0.855
  225   1HG2  ILE  30          HG23      ILE  30 -11.281   2.349   1.171
  226   2HG2  ILE  30          HG22      ILE  30  -9.850   1.529   0.557
  227   3HG2  ILE  30          HG21      ILE  30 -10.396   3.022  -0.188
  228   1HD1  ILE  30           HD2      ILE  30 -12.010   0.247   1.636
  229   2HD1  ILE  30           HD1      ILE  30 -11.901  -1.464   1.293
  230   3HD1  ILE  30           HD3      ILE  30 -10.437  -0.510   1.463
  231    H    LYS  31           HN       LYS  31 -13.752   3.053   1.476
  232    HA   LYS  31           HA       LYS  31 -14.093   5.642   0.200
  233   1HB   LYS  31           HB2      LYS  31 -13.875   5.039   3.158
  234   2HB   LYS  31           HB1      LYS  31 -14.616   6.454   2.418
  235   1HG   LYS  31           HG2      LYS  31 -16.573   5.330   2.341
  236   2HG   LYS  31           HG1      LYS  31 -15.838   4.203   1.206
  237   1HD   LYS  31           HD2      LYS  31 -15.002   2.834   3.073
  238   2HD   LYS  31           HD1      LYS  31 -15.671   3.978   4.231
  239   1HE   LYS  31           HE2      LYS  31 -17.478   2.783   2.150
  240   2HE   LYS  31           HE1      LYS  31 -17.048   1.825   3.561
  241   1HZ   LYS  31           HZ2      LYS  31 -17.746   3.862   4.883
  242   2HZ   LYS  31           HZ1      LYS  31 -18.494   4.394   3.454
  243   3HZ   LYS  31           HZ3      LYS  31 -18.976   2.931   4.170
  244    H    GLY  32           HN       GLY  32 -12.024   6.006  -0.753
  245   1HA   GLY  32           HA2      GLY  32  -9.662   6.190   0.972
  246   2HA   GLY  32           HA1      GLY  32  -9.723   6.593  -0.741
  247    H    THR  33           HN       THR  33 -10.831   7.752   2.428
  248    HA   THR  33           HA       THR  33 -11.021  10.506   1.365
  249    HB   THR  33           HB       THR  33 -12.076  11.050   3.506
  250    HG1  THR  33           HG1      THR  33 -11.960   9.395   5.125
  251   1HG2  THR  33          HG23      THR  33 -13.323   9.391   1.867
  252   2HG2  THR  33          HG22      THR  33 -12.925   8.182   3.085
  253   3HG2  THR  33          HG21      THR  33 -13.926   9.567   3.512
  254    H    GLY  34           HN       GLY  34  -8.427   9.481   1.315
  255   1HA   GLY  34           HA2      GLY  34  -6.953  10.311   3.681
  256   2HA   GLY  34           HA1      GLY  34  -6.245   9.866   2.131
  257    H    VAL  35           HN       VAL  35  -5.300  12.023   3.626
  258    HA   VAL  35           HA       VAL  35  -6.308  14.570   3.151
  259    HB   VAL  35           HB       VAL  35  -3.391  13.817   2.843
  260   1HG1  VAL  35          HG11      VAL  35  -4.788  16.348   3.780
  261   2HG1  VAL  35          HG13      VAL  35  -3.044  16.103   3.743
  262   3HG1  VAL  35          HG12      VAL  35  -3.960  16.147   2.240
  263   1HG2  VAL  35          HG21      VAL  35  -5.202  13.567   5.097
  264   2HG2  VAL  35          HG23      VAL  35  -3.509  13.095   4.984
  265   3HG2  VAL  35          HG22      VAL  35  -3.936  14.738   5.453
  266    H    GLY  36           HN       GLY  36  -6.707  15.776   1.397
  267   1HA   GLY  36           HA2      GLY  36  -6.420  16.612  -0.812
  268   2HA   GLY  36           HA1      GLY  36  -5.169  15.401  -1.076
  269    H    GLY  37           HN       GLY  37  -7.865  13.977   0.282
  270   1HA   GLY  37           HA2      GLY  37  -9.529  12.570  -0.591
  271   2HA   GLY  37           HA1      GLY  37  -9.606  13.677  -1.959
  272    NH1  ARG  38           NH1      ARG  38  -2.369  12.219  -7.017
  273    NH2  ARG  38           NH2      ARG  38  -2.453  14.214  -5.908
  274    H    ARG  38           HN       ARG  38  -7.376  11.228  -0.638
  275    HA   ARG  38           HA       ARG  38  -7.298   9.954  -3.317
  276   1HB   ARG  38           HB2      ARG  38  -5.062  11.375  -1.995
  277   2HB   ARG  38           HB1      ARG  38  -4.666   9.800  -2.673
  278   1HG   ARG  38           HG2      ARG  38  -5.357  10.447  -4.858
  279   2HG   ARG  38           HG1      ARG  38  -6.217  11.859  -4.254
  280   1HD   ARG  38           HD2      ARG  38  -4.056  12.861  -3.545
  281   2HD   ARG  38           HD1      ARG  38  -3.205  11.456  -4.184
  282    HE   ARG  38           HE       ARG  38  -4.932  12.832  -6.124
  283   1HH1  ARG  38          HH11      ARG  38  -2.785  11.331  -7.215
  284   2HH1  ARG  38          HH12      ARG  38  -1.503  12.472  -7.446
  285   1HH2  ARG  38          HH21      ARG  38  -2.931  14.822  -5.274
  286   2HH2  ARG  38          HH22      ARG  38  -1.587  14.501  -6.319
  287    H    LEU  39           HN       LEU  39  -6.531   7.777  -3.273
  288    HA   LEU  39           HA       LEU  39  -7.240   6.370  -0.840
  289   1HB   LEU  39           HB2      LEU  39  -7.633   5.440  -3.115
  290   2HB   LEU  39           HB1      LEU  39  -5.895   5.337  -3.355
  291    HG   LEU  39           HG       LEU  39  -5.726   3.798  -1.403
  292   1HD1  LEU  39          HD13      LEU  39  -8.652   4.446  -1.261
  293   2HD1  LEU  39          HD12      LEU  39  -8.143   2.821  -0.815
  294   3HD1  LEU  39          HD11      LEU  39  -7.499   4.214   0.048
  295   1HD2  LEU  39          HD23      LEU  39  -6.035   2.896  -3.692
  296   2HD2  LEU  39          HD22      LEU  39  -6.812   1.868  -2.494
  297   3HD2  LEU  39          HD21      LEU  39  -7.781   2.960  -3.476
  298    H    THR  40           HN       THR  40  -5.863   5.085   0.469
  299    HA   THR  40           HA       THR  40  -2.946   5.725   0.261
  300    HB   THR  40           HB       THR  40  -2.833   6.120   2.658
  301    HG1  THR  40           HG1      THR  40  -4.862   4.451   2.538
  302   1HG2  THR  40          HG21      THR  40  -4.137   7.888   1.140
  303   2HG2  THR  40          HG23      THR  40  -5.528   7.317   2.058
  304   3HG2  THR  40          HG22      THR  40  -4.161   8.048   2.893
  305    NH1  ARG  41           NH1      ARG  41   3.217  -0.769   2.875
  306    NH2  ARG  41           NH2      ARG  41   2.456  -2.908   2.622
  307    H    ARG  41           HN       ARG  41  -2.709   4.219   2.878
  308    HA   ARG  41           HA       ARG  41  -3.030   1.447   1.783
  309   1HB   ARG  41           HB2      ARG  41  -0.640   2.523   1.928
  310   2HB   ARG  41           HB1      ARG  41  -0.794   2.169   3.645
  311   1HG   ARG  41           HG2      ARG  41  -1.291  -0.202   3.104
  312   2HG   ARG  41           HG1      ARG  41  -1.108   0.158   1.391
  313   1HD   ARG  41           HD2      ARG  41   1.207   0.502   1.577
  314   2HD   ARG  41           HD1      ARG  41   1.116   0.854   3.301
  315    HE   ARG  41           HE       ARG  41   0.280  -1.806   3.047
  316   1HH1  ARG  41          HH11      ARG  41   3.015   0.204   2.988
  317   2HH1  ARG  41          HH12      ARG  41   4.166  -1.081   2.845
  318   1HH2  ARG  41          HH21      ARG  41   1.683  -3.538   2.545
  319   2HH2  ARG  41          HH22      ARG  41   3.392  -3.257   2.587
  320    H    GLU  42           HN       GLU  42  -4.110   3.499   4.061
  321    HA   GLU  42           HA       GLU  42  -4.145   1.516   6.274
  322   1HB   GLU  42           HB2      GLU  42  -3.616   4.000   6.619
  323   2HB   GLU  42           HB1      GLU  42  -5.326   4.292   6.323
  324   1HG   GLU  42           HG2      GLU  42  -5.918   2.765   8.171
  325   2HG   GLU  42           HG1      GLU  42  -4.211   2.434   8.455
  326    H    ASP  43           HN       ASP  43  -6.075   2.627   3.707
  327    HA   ASP  43           HA       ASP  43  -8.595   1.753   5.019
  328   1HB   ASP  43           HB2      ASP  43  -7.921   3.377   2.601
  329   2HB   ASP  43           HB1      ASP  43  -9.464   2.532   2.637
  330    H    VAL  44           HN       VAL  44  -6.408   0.908   2.408
  331    HA   VAL  44           HA       VAL  44  -8.099  -1.171   1.297
  332    HB   VAL  44           HB       VAL  44  -5.166  -0.507   1.031
  333   1HG1  VAL  44          HG13      VAL  44  -6.742  -2.863  -0.003
  334   2HG1  VAL  44          HG12      VAL  44  -5.377  -2.232  -0.919
  335   3HG1  VAL  44          HG11      VAL  44  -5.133  -2.846   0.712
  336   1HG2  VAL  44          HG21      VAL  44  -7.006   0.894  -0.063
  337   2HG2  VAL  44          HG23      VAL  44  -5.802   0.230  -1.162
  338   3HG2  VAL  44          HG22      VAL  44  -7.386  -0.527  -1.031
  339    H    GLU  45           HN       GLU  45  -5.745  -0.999   3.852
  340    HA   GLU  45           HA       GLU  45  -5.119  -3.767   4.102
  341   1HB   GLU  45           HB2      GLU  45  -5.071  -1.410   5.941
  342   2HB   GLU  45           HB1      GLU  45  -4.886  -3.016   6.637
  343   1HG   GLU  45           HG2      GLU  45  -3.009  -3.485   5.118
  344   2HG   GLU  45           HG1      GLU  45  -3.218  -1.914   4.348
  345    H    LYS  46           HN       LYS  46  -7.632  -1.836   5.711
  346    HA   LYS  46           HA       LYS  46  -8.769  -4.100   7.102
  347   1HB   LYS  46           HB2      LYS  46  -9.878  -1.361   6.454
  348   2HB   LYS  46           HB1      LYS  46 -10.708  -2.535   7.470
  349   1HG   LYS  46           HG2      LYS  46  -9.152  -2.355   9.186
  350   2HG   LYS  46           HG1      LYS  46  -7.846  -1.912   8.094
  351   1HD   LYS  46           HD2      LYS  46  -8.565   0.024   9.467
  352   2HD   LYS  46           HD1      LYS  46  -8.863   0.310   7.756
  353   1HE   LYS  46           HE2      LYS  46 -10.783   0.884   9.371
  354   2HE   LYS  46           HE1      LYS  46 -11.196  -0.115   7.984
  355   1HZ   LYS  46           HZ3      LYS  46 -10.517  -1.204  10.654
  356   2HZ   LYS  46           HZ2      LYS  46 -12.104  -0.912  10.124
  357   3HZ   LYS  46           HZ1      LYS  46 -11.139  -2.056   9.323
  358    H    HIS  47           HN       HIS  47  -8.523  -3.826   3.962
  359    HA   HIS  47           HA       HIS  47 -11.327  -4.657   3.338
  360   1HB   HIS  47           HB2      HIS  47 -10.073  -2.742   2.076
  361   2HB   HIS  47           HB1      HIS  47  -9.248  -4.060   1.253
  362    HD1  HIS  47           HD1      HIS  47 -12.828  -3.559   2.144
  363    HD2  HIS  47           HD2      HIS  47 -10.571  -4.552  -1.078
  364    HE1  HIS  47           HE1      HIS  47 -14.426  -3.969   0.366
  365    H    LEU  48           HN       LEU  48  -7.939  -5.526   2.739
  366    HA   LEU  48           HA       LEU  48  -8.256  -7.876   1.277
  367   1HB   LEU  48           HB2      LEU  48  -6.280  -7.004   3.347
  368   2HB   LEU  48           HB1      LEU  48  -6.229  -8.674   2.791
  369    HG   LEU  48           HG       LEU  48  -6.429  -6.489   0.744
  370   1HD1  LEU  48          HD13      LEU  48  -4.034  -7.160   2.444
  371   2HD1  LEU  48          HD12      LEU  48  -3.808  -6.664   0.770
  372   3HD1  LEU  48          HD11      LEU  48  -4.600  -5.580   1.909
  373   1HD2  LEU  48          HD23      LEU  48  -6.433  -9.122   0.457
  374   2HD2  LEU  48          HD22      LEU  48  -5.537  -8.115  -0.676
  375   3HD2  LEU  48          HD21      LEU  48  -4.690  -8.937   0.631
  376    H    ALA  49           HN       ALA  49  -9.992  -9.164   1.761
  377    HA   ALA  49           HA       ALA  49 -10.481 -10.033   4.525
  378   1HB   ALA  49           HB3      ALA  49 -12.185  -9.619   2.513
  379   2HB   ALA  49           HB2      ALA  49 -11.852 -11.320   2.207
  380   3HB   ALA  49           HB1      ALA  49 -12.512 -10.818   3.760
  381    H    LYS  50           HN       LYS  50  -9.832 -11.914   5.408
  382    HA   LYS  50           HA       LYS  50  -8.042 -13.634   3.817
  383   1HB   LYS  50           HB2      LYS  50  -8.539 -13.114   6.672
  384   2HB   LYS  50           HB1      LYS  50  -8.204 -14.801   6.296
  385   1HG   LYS  50           HG2      LYS  50  -6.102 -14.269   5.298
  386   2HG   LYS  50           HG1      LYS  50  -6.491 -12.554   5.212
  387   1HD   LYS  50           HD2      LYS  50  -6.503 -12.439   7.689
  388   2HD   LYS  50           HD1      LYS  50  -6.098 -14.150   7.767
  389   1HE   LYS  50           HE2      LYS  50  -3.983 -13.167   7.938
  390   2HE   LYS  50           HE1      LYS  50  -4.092 -13.458   6.206
  391   1HZ   LYS  50           HZ1      LYS  50  -5.246 -10.958   6.917
  392   2HZ   LYS  50           HZ3      LYS  50  -3.631 -11.059   7.438
  393   3HZ   LYS  50           HZ2      LYS  50  -4.013 -11.300   5.801
  394    H    ALA  51           HN       ALA  51 -11.308 -13.537   4.662
  395    HA   ALA  51           HA       ALA  51 -11.829 -16.093   3.396
  396   1HB   ALA  51           HB1      ALA  51 -12.037 -15.862   6.399
  397   2HB   ALA  51           HB3      ALA  51 -12.954 -17.059   5.489
  398   3HB   ALA  51           HB2      ALA  51 -11.193 -17.090   5.459
   
 Raw file had 398 H/Q atoms
  Start of MODEL   17
    1    OH   TYR   1           OH       TYR   1  24.374   1.498  -5.693
    2   1H    TYR   1           HT2      TYR   1  24.000   6.090  -1.266
    3   2H    TYR   1           HT1      TYR   1  23.899   5.391  -2.810
    4   3H    TYR   1           HT3      TYR   1  25.300   5.183  -1.874
    5    HA   TYR   1           HA       TYR   1  26.089   7.255  -2.289
    6   1HB   TYR   1           HB2      TYR   1  24.531   7.555  -4.734
    7   2HB   TYR   1           HB1      TYR   1  26.250   7.225  -4.542
    8    HD1  TYR   1           HD2      TYR   1  27.042   4.877  -4.293
    9    HD2  TYR   1           HD1      TYR   1  22.946   5.745  -5.046
   10    HE1  TYR   1           HE2      TYR   1  26.662   2.539  -4.923
   11    HE2  TYR   1           HE1      TYR   1  22.567   3.407  -5.676
   12    HH   TYR   1           HH       TYR   1  23.557   1.210  -5.279
   13    H    ALA   2           HN       ALA   2  23.514   7.356  -0.786
   14    HA   ALA   2           HA       ALA   2  22.833  10.178  -1.480
   15   1HB   ALA   2           HB3      ALA   2  21.009   7.829  -1.337
   16   2HB   ALA   2           HB2      ALA   2  20.423   9.338  -0.643
   17   3HB   ALA   2           HB1      ALA   2  20.899   9.274  -2.337
   18    H    SER   3           HN       SER   3  22.144  11.441   0.291
   19    HA   SER   3           HA       SER   3  22.119  10.206   2.969
   20   1HB   SER   3           HB2      SER   3  23.857  12.072   3.660
   21   2HB   SER   3           HB1      SER   3  24.452  10.574   2.921
   22    HG   SER   3           HG1      SER   3  24.882  11.619   1.138
   23    H    LEU   4           HN       LEU   4  20.853  12.272   0.824
   24    HA   LEU   4           HA       LEU   4  19.627  13.946   2.969
   25   1HB   LEU   4           HB2      LEU   4  20.945  14.875   0.430
   26   2HB   LEU   4           HB1      LEU   4  19.655  15.822   1.162
   27    HG   LEU   4           HG       LEU   4  21.789  14.874   3.008
   28   1HD1  LEU   4          HD12      LEU   4  22.221  16.999   0.884
   29   2HD1  LEU   4          HD11      LEU   4  23.225  16.840   2.322
   30   3HD1  LEU   4          HD13      LEU   4  23.178  15.543   1.132
   31   1HD2  LEU   4          HD21      LEU   4  19.739  16.385   3.495
   32   2HD2  LEU   4          HD23      LEU   4  21.298  16.924   4.110
   33   3HD2  LEU   4          HD22      LEU   4  20.631  17.645   2.649
   34    H    GLU   5           HN       GLU   5  19.456  12.583  -0.257
   35    HA   GLU   5           HA       GLU   5  16.489  13.019  -0.248
   36   1HB   GLU   5           HB2      GLU   5  18.493  12.850  -2.493
   37   2HB   GLU   5           HB1      GLU   5  16.772  12.609  -2.776
   38   1HG   GLU   5           HG2      GLU   5  16.233  14.814  -2.186
   39   2HG   GLU   5           HG1      GLU   5  17.696  15.017  -1.226
   40    H    GLU   6           HN       GLU   6  18.099  10.811   0.965
   41    HA   GLU   6           HA       GLU   6  18.106   8.416  -0.438
   42   1HB   GLU   6           HB2      GLU   6  18.694   8.848   2.025
   43   2HB   GLU   6           HB1      GLU   6  16.986   8.585   2.357
   44   1HG   GLU   6           HG2      GLU   6  17.106   6.358   1.312
   45   2HG   GLU   6           HG1      GLU   6  18.803   6.621   0.918
   46    H    GLN   7           HN       GLN   7  16.573   6.686  -0.652
   47    HA   GLN   7           HA       GLN   7  13.819   7.703  -1.090
   48   1HB   GLN   7           HB2      GLN   7  15.146   5.108  -1.918
   49   2HB   GLN   7           HB1      GLN   7  13.500   5.573  -2.335
   50   1HG   GLN   7           HG2      GLN   7  14.194   7.192  -3.836
   51   2HG   GLN   7           HG1      GLN   7  15.671   7.537  -2.940
   52   1HE2  GLN   7          HE22      GLN   7  15.783   4.063  -5.139
   53   2HE2  GLN   7          HE21      GLN   7  14.422   4.400  -4.183
   54    H    ASN   8           HN       ASN   8  13.677   7.727   1.373
   55    HA   ASN   8           HA       ASN   8  12.402   5.185   2.211
   56   1HB   ASN   8           HB2      ASN   8  14.897   5.367   2.959
   57   2HB   ASN   8           HB1      ASN   8  14.288   6.546   4.118
   58   1HD2  ASN   8          HD22      ASN   8  14.107   2.922   5.387
   59   2HD2  ASN   8          HD21      ASN   8  15.338   3.716   4.530
   60    H    ASN   9           HN       ASN   9  11.128   7.529   1.488
   61    HA   ASN   9           HA       ASN   9  10.451   8.918   4.022
   62   1HB   ASN   9           HB2      ASN   9   9.506   9.457   1.193
   63   2HB   ASN   9           HB1      ASN   9   9.219  10.486   2.593
   64   1HD2  ASN   9          HD22      ASN   9  12.653  10.869   0.567
   65   2HD2  ASN   9          HD21      ASN   9  11.323   9.983  -0.007
   66    H    ASP  10           HN       ASP  10   7.823   9.605   3.499
   67    HA   ASP  10           HA       ASP  10   6.483   7.041   4.102
   68   1HB   ASP  10           HB2      ASP  10   5.223   9.788   4.060
   69   2HB   ASP  10           HB1      ASP  10   4.680   8.360   4.938
   70    H    ALA  11           HN       ALA  11   7.027   6.590   1.674
   71    HA   ALA  11           HA       ALA  11   4.933   7.723  -0.111
   72   1HB   ALA  11           HB3      ALA  11   7.312   7.659  -0.884
   73   2HB   ALA  11           HB2      ALA  11   7.250   5.901  -0.803
   74   3HB   ALA  11           HB1      ALA  11   6.220   6.766  -1.938
   75    H    LEU  12           HN       LEU  12   4.078   6.025  -1.739
   76    HA   LEU  12           HA       LEU  12   2.678   3.996  -0.188
   77   1HB   LEU  12           HB2      LEU  12   2.754   4.500  -3.175
   78   2HB   LEU  12           HB1      LEU  12   1.623   3.431  -2.357
   79    HG   LEU  12           HG       LEU  12   1.850   6.261  -1.385
   80   1HD1  LEU  12          HD11      LEU  12   0.553   5.351  -3.961
   81   2HD1  LEU  12          HD13      LEU  12  -0.018   6.774  -3.096
   82   3HD1  LEU  12          HD12      LEU  12   1.631   6.721  -3.711
   83   1HD2  LEU  12          HD21      LEU  12   0.358   4.200  -0.547
   84   2HD2  LEU  12          HD23      LEU  12  -0.259   5.849  -0.517
   85   3HD2  LEU  12          HD22      LEU  12  -0.704   4.768  -1.833
   86    H    SER  13           HN       SER  13   2.560   1.694  -1.209
   87    HA   SER  13           HA       SER  13   5.352   0.749  -1.400
   88   1HB   SER  13           HB2      SER  13   2.917  -0.305  -0.258
   89   2HB   SER  13           HB1      SER  13   3.645  -1.487  -1.363
   90    HG   SER  13           HG1      SER  13   4.707  -1.669   0.583
   91    HA   PRO  14           HA       PRO  14   5.102  -0.154  -5.732
   92   1HB   PRO  14           HB2      PRO  14   6.364  -2.689  -5.719
   93   2HB   PRO  14           HB1      PRO  14   7.134  -1.125  -5.990
   94   1HG   PRO  14           HG2      PRO  14   7.259  -2.843  -3.603
   95   2HG   PRO  14           HG1      PRO  14   8.247  -1.436  -3.999
   96   1HD   PRO  14           HD1      PRO  14   6.165  -1.544  -2.058
   97   2HD   PRO  14           HD2      PRO  14   7.001  -0.094  -2.647
   98    H    ALA  15           HN       ALA  15   4.179  -2.660  -3.457
   99    HA   ALA  15           HA       ALA  15   2.816  -4.367  -5.327
  100   1HB   ALA  15           HB3      ALA  15   3.524  -4.608  -2.722
  101   2HB   ALA  15           HB2      ALA  15   1.804  -4.276  -2.549
  102   3HB   ALA  15           HB1      ALA  15   2.343  -5.653  -3.506
  103    H    ILE  16           HN       ILE  16   1.923  -1.409  -3.764
  104    HA   ILE  16           HA       ILE  16  -0.862  -1.549  -3.662
  105    HB   ILE  16           HB       ILE  16   0.631   0.439  -3.075
  106   1HG1  ILE  16          HG12      ILE  16  -1.881   0.950  -4.715
  107   2HG1  ILE  16          HG11      ILE  16  -1.862   0.486  -3.019
  108   1HG2  ILE  16          HG22      ILE  16   1.502   0.364  -5.578
  109   2HG2  ILE  16          HG21      ILE  16   0.098   1.383  -5.876
  110   3HG2  ILE  16          HG23      ILE  16   1.340   1.905  -4.743
  111   1HD1  ILE  16           HD2      ILE  16  -0.526   2.531  -2.507
  112   2HD1  ILE  16           HD1      ILE  16  -0.653   3.012  -4.196
  113   3HD1  ILE  16           HD3      ILE  16  -2.099   2.918  -3.194
  114    NH1  ARG  17           NH2      ARG  17   4.307   2.200  -6.952
  115    NH2  ARG  17           NH1      ARG  17   5.388   2.271  -8.965
  116    H    ARG  17           HN       ARG  17   1.137  -1.772  -6.424
  117    HA   ARG  17           HA       ARG  17  -1.043  -1.051  -8.289
  118   1HB   ARG  17           HB2      ARG  17   1.784  -2.015  -8.789
  119   2HB   ARG  17           HB1      ARG  17   0.654  -1.530 -10.046
  120   1HG   ARG  17           HG2      ARG  17   0.927   0.689  -9.600
  121   2HG   ARG  17           HG1      ARG  17   0.930   0.431  -7.859
  122   1HD   ARG  17           HD2      ARG  17   3.248  -0.232  -7.880
  123   2HD   ARG  17           HD1      ARG  17   3.271  -0.313  -9.640
  124    HE   ARG  17           HE       ARG  17   2.671   2.281  -9.331
  125   1HH1  ARG  17          HH21      ARG  17   3.471   2.014  -6.435
  126   2HH1  ARG  17          HH22      ARG  17   5.131   2.506  -6.477
  127   1HH2  ARG  17          HH11      ARG  17   5.362   2.138  -9.955
  128   2HH2  ARG  17          HH12      ARG  17   6.231   2.577  -8.523
  129    NH1  ARG  18           NH1      ARG  18   4.640  -7.283 -11.724
  130    NH2  ARG  18           NH2      ARG  18   5.814  -7.235  -9.765
  131    H    ARG  18           HN       ARG  18   0.923  -3.892  -7.467
  132    HA   ARG  18           HA       ARG  18  -0.788  -5.624  -9.123
  133   1HB   ARG  18           HB2      ARG  18   1.539  -6.251  -7.289
  134   2HB   ARG  18           HB1      ARG  18   0.721  -7.433  -8.305
  135   1HG   ARG  18           HG2      ARG  18   1.756  -6.692 -10.190
  136   2HG   ARG  18           HG1      ARG  18   1.522  -5.002  -9.756
  137   1HD   ARG  18           HD2      ARG  18   3.449  -5.018  -8.311
  138   2HD   ARG  18           HD1      ARG  18   3.585  -6.773  -8.410
  139    HE   ARG  18           HE       ARG  18   4.217  -4.894 -10.643
  140   1HH1  ARG  18          HH11      ARG  18   3.921  -6.898 -12.301
  141   2HH1  ARG  18          HH12      ARG  18   5.171  -8.067 -12.045
  142   1HH2  ARG  18          HH21      ARG  18   5.974  -6.812  -8.873
  143   2HH2  ARG  18          HH22      ARG  18   6.365  -8.017 -10.053
  144    H    LEU  19           HN       LEU  19  -1.726  -4.166  -6.622
  145    HA   LEU  19           HA       LEU  19  -2.466  -6.472  -4.906
  146   1HB   LEU  19           HB2      LEU  19  -1.644  -4.215  -3.994
  147   2HB   LEU  19           HB1      LEU  19  -3.221  -3.585  -4.458
  148    HG   LEU  19           HG       LEU  19  -4.012  -5.818  -3.153
  149   1HD1  LEU  19          HD11      LEU  19  -1.622  -6.392  -2.626
  150   2HD1  LEU  19          HD13      LEU  19  -1.505  -4.897  -1.704
  151   3HD1  LEU  19          HD12      LEU  19  -2.607  -6.168  -1.184
  152   1HD2  LEU  19          HD23      LEU  19  -3.260  -3.153  -1.899
  153   2HD2  LEU  19          HD22      LEU  19  -4.792  -3.538  -2.678
  154   3HD2  LEU  19          HD21      LEU  19  -4.347  -4.332  -1.172
  155    H    LEU  20           HN       LEU  20  -3.978  -3.893  -6.808
  156    HA   LEU  20           HA       LEU  20  -6.685  -4.688  -6.308
  157   1HB   LEU  20           HB2      LEU  20  -5.380  -3.128  -8.537
  158   2HB   LEU  20           HB1      LEU  20  -7.114  -3.426  -8.499
  159    HG   LEU  20           HG       LEU  20  -5.839  -2.386  -6.002
  160   1HD1  LEU  20          HD12      LEU  20  -6.209  -0.837  -8.570
  161   2HD1  LEU  20          HD11      LEU  20  -6.297  -0.034  -7.005
  162   3HD1  LEU  20          HD13      LEU  20  -4.815  -0.851  -7.493
  163   1HD2  LEU  20          HD21      LEU  20  -8.261  -2.955  -6.155
  164   2HD2  LEU  20          HD23      LEU  20  -8.013  -1.242  -5.832
  165   3HD2  LEU  20          HD22      LEU  20  -8.438  -1.780  -7.454
  166    H    ALA  21           HN       ALA  21  -4.305  -5.678  -8.694
  167    HA   ALA  21           HA       ALA  21  -6.213  -7.289 -10.211
  168   1HB   ALA  21           HB2      ALA  21  -4.225  -6.318 -11.296
  169   2HB   ALA  21           HB1      ALA  21  -3.183  -7.274 -10.247
  170   3HB   ALA  21           HB3      ALA  21  -4.214  -8.073 -11.429
  171    H    GLU  22           HN       GLU  22  -4.740  -7.665  -7.256
  172    HA   GLU  22           HA       GLU  22  -4.442 -10.606  -7.482
  173   1HB   GLU  22           HB2      GLU  22  -2.807  -9.063  -6.224
  174   2HB   GLU  22           HB1      GLU  22  -4.052  -8.963  -4.984
  175   1HG   GLU  22           HG2      GLU  22  -4.069 -11.457  -4.839
  176   2HG   GLU  22           HG1      GLU  22  -2.761 -11.511  -6.020
  177    H    HIS  23           HN       HIS  23  -6.674  -8.236  -6.396
  178    HA   HIS  23           HA       HIS  23  -8.424 -10.410  -5.327
  179   1HB   HIS  23           HB2      HIS  23  -8.397  -7.672  -4.077
  180   2HB   HIS  23           HB1      HIS  23  -8.998  -9.185  -3.404
  181    HD1  HIS  23           HD1      HIS  23  -6.761 -10.961  -3.452
  182    HD2  HIS  23           HD2      HIS  23  -6.076  -7.013  -2.817
  183    HE1  HIS  23           HE1      HIS  23  -4.592 -10.871  -2.368
  184    H    ASN  24           HN       ASN  24  -8.016  -8.032  -7.554
  185    HA   ASN  24           HA       ASN  24  -9.495  -6.731  -8.858
  186   1HB   ASN  24           HB2      ASN  24 -10.025  -9.285  -9.250
  187   2HB   ASN  24           HB1      ASN  24 -11.536  -8.884  -8.436
  188   1HD2  ASN  24          HD22      ASN  24 -12.134  -6.266 -11.069
  189   2HD2  ASN  24          HD21      ASN  24 -11.859  -6.205  -9.396
  190    H    LEU  25           HN       LEU  25  -9.551  -5.964  -6.163
  191    HA   LEU  25           HA       LEU  25 -12.413  -5.663  -5.469
  192   1HB   LEU  25           HB2      LEU  25  -9.819  -5.279  -4.051
  193   2HB   LEU  25           HB1      LEU  25 -11.179  -4.299  -3.519
  194    HG   LEU  25           HG       LEU  25 -11.393  -7.302  -3.898
  195   1HD1  LEU  25          HD12      LEU  25 -10.710  -5.752  -1.377
  196   2HD1  LEU  25          HD11      LEU  25 -11.072  -7.474  -1.440
  197   3HD1  LEU  25          HD13      LEU  25  -9.632  -6.847  -2.235
  198   1HD2  LEU  25          HD21      LEU  25 -13.276  -5.245  -3.344
  199   2HD2  LEU  25          HD23      LEU  25 -13.548  -6.982  -3.286
  200   3HD2  LEU  25          HD22      LEU  25 -13.043  -6.122  -1.837
  201    H    ASP  26           HN       ASP  26 -13.445  -3.664  -5.315
  202    HA   ASP  26           HA       ASP  26 -12.254  -1.557  -7.024
  203   1HB   ASP  26           HB2      ASP  26 -14.997  -2.310  -6.165
  204   2HB   ASP  26           HB1      ASP  26 -14.702  -0.594  -6.436
  205    H    ALA  27           HN       ALA  27 -11.878   0.533  -6.326
  206    HA   ALA  27           HA       ALA  27 -11.632   0.834  -3.386
  207   1HB   ALA  27           HB3      ALA  27 -10.447   2.234  -5.764
  208   2HB   ALA  27           HB2      ALA  27 -10.447   3.028  -4.192
  209   3HB   ALA  27           HB1      ALA  27  -9.626   1.483  -4.399
  210    H    SER  28           HN       SER  28 -13.828   1.558  -5.778
  211    HA   SER  28           HA       SER  28 -14.656   4.196  -4.881
  212   1HB   SER  28           HB2      SER  28 -15.635   2.170  -6.831
  213   2HB   SER  28           HB1      SER  28 -16.839   3.307  -6.193
  214    HG   SER  28           HG1      SER  28 -15.934   4.618  -7.586
  215    H    ALA  29           HN       ALA  29 -15.290   0.946  -3.902
  216    HA   ALA  29           HA       ALA  29 -17.674   1.738  -2.337
  217   1HB   ALA  29           HB1      ALA  29 -16.542  -0.762  -3.339
  218   2HB   ALA  29           HB3      ALA  29 -17.057  -0.882  -1.659
  219   3HB   ALA  29           HB2      ALA  29 -18.204  -0.385  -2.899
  220    H    ILE  30           HN       ILE  30 -14.295   1.285  -1.954
  221    HA   ILE  30           HA       ILE  30 -14.441   0.907   0.958
  222    HB   ILE  30           HB       ILE  30 -12.028   1.511  -0.773
  223   1HG1  ILE  30          HG12      ILE  30 -13.088  -0.506  -1.619
  224   2HG1  ILE  30          HG11      ILE  30 -11.670  -0.984  -0.700
  225   1HG2  ILE  30          HG21      ILE  30 -12.430   1.071   2.087
  226   2HG2  ILE  30          HG23      ILE  30 -11.297  -0.089   1.406
  227   3HG2  ILE  30          HG22      ILE  30 -10.999   1.636   1.237
  228   1HD1  ILE  30           HD3      ILE  30 -13.375  -1.154   1.312
  229   2HD1  ILE  30           HD2      ILE  30 -14.581  -1.247   0.034
  230   3HD1  ILE  30           HD1      ILE  30 -13.304  -2.454   0.129
  231    H    LYS  31           HN       LYS  31 -14.430   2.500   2.427
  232    HA   LYS  31           HA       LYS  31 -14.414   5.281   1.504
  233   1HB   LYS  31           HB2      LYS  31 -14.681   5.692   4.046
  234   2HB   LYS  31           HB1      LYS  31 -15.995   4.878   3.205
  235   1HG   LYS  31           HG2      LYS  31 -13.870   3.076   4.203
  236   2HG   LYS  31           HG1      LYS  31 -14.781   3.903   5.462
  237   1HD   LYS  31           HD2      LYS  31 -16.877   3.065   4.598
  238   2HD   LYS  31           HD1      LYS  31 -16.092   2.434   3.155
  239   1HE   LYS  31           HE2      LYS  31 -14.795   0.855   4.536
  240   2HE   LYS  31           HE1      LYS  31 -15.540   1.502   5.992
  241   1HZ   LYS  31           HZ3      LYS  31 -17.695   0.901   4.562
  242   2HZ   LYS  31           HZ2      LYS  31 -16.626  -0.292   3.995
  243   3HZ   LYS  31           HZ1      LYS  31 -16.963  -0.174   5.655
  244    H    GLY  32           HN       GLY  32 -12.439   6.053   0.985
  245   1HA   GLY  32           HA2      GLY  32  -9.933   5.294   1.880
  246   2HA   GLY  32           HA1      GLY  32 -10.307   6.956   1.433
  247    H    THR  33           HN       THR  33  -9.425   4.895   3.951
  248    HA   THR  33           HA       THR  33 -10.394   6.698   6.086
  249    HB   THR  33           HB       THR  33  -9.779   4.965   7.611
  250    HG1  THR  33           HG1      THR  33  -7.792   4.809   5.743
  251   1HG2  THR  33          HG22      THR  33 -11.478   4.118   5.898
  252   2HG2  THR  33          HG21      THR  33 -10.121   3.445   5.000
  253   3HG2  THR  33          HG23      THR  33 -10.485   2.854   6.618
  254    H    GLY  34           HN       GLY  34  -8.420   7.629   4.124
  255   1HA   GLY  34           HA2      GLY  34  -5.777   7.646   5.146
  256   2HA   GLY  34           HA1      GLY  34  -6.460   8.920   4.141
  257    H    VAL  35           HN       VAL  35  -5.156  10.362   5.488
  258    HA   VAL  35           HA       VAL  35  -5.652  10.665   8.306
  259    HB   VAL  35           HB       VAL  35  -4.473  12.471   6.197
  260   1HG1  VAL  35          HG11      VAL  35  -5.192  13.048   9.065
  261   2HG1  VAL  35          HG13      VAL  35  -3.763  13.794   8.357
  262   3HG1  VAL  35          HG12      VAL  35  -5.349  14.091   7.655
  263   1HG2  VAL  35          HG21      VAL  35  -3.279  10.408   7.181
  264   2HG2  VAL  35          HG23      VAL  35  -2.408  11.937   7.267
  265   3HG2  VAL  35          HG22      VAL  35  -3.223  11.306   8.695
  266    H    GLY  36           HN       GLY  36  -7.194  11.927   5.436
  267   1HA   GLY  36           HA2      GLY  36  -9.385  12.964   7.135
  268   2HA   GLY  36           HA1      GLY  36  -8.603  14.116   6.057
  269    H    GLY  37           HN       GLY  37  -9.950  10.818   5.912
  270   1HA   GLY  37           HA2      GLY  37 -11.456   9.882   4.367
  271   2HA   GLY  37           HA1      GLY  37 -11.872  11.524   3.883
  272    NH1  ARG  38           NH1      ARG  38  -7.615  15.441   4.299
  273    NH2  ARG  38           NH2      ARG  38  -9.003  16.351   2.728
  274    H    ARG  38           HN       ARG  38  -8.548  10.652   3.787
  275    HA   ARG  38           HA       ARG  38  -8.571  10.912   0.851
  276   1HB   ARG  38           HB2      ARG  38  -6.500  10.966   2.996
  277   2HB   ARG  38           HB1      ARG  38  -5.984  10.484   1.384
  278   1HG   ARG  38           HG2      ARG  38  -5.779  12.937   1.704
  279   2HG   ARG  38           HG1      ARG  38  -6.946  12.551   0.444
  280   1HD   ARG  38           HD2      ARG  38  -8.799  13.017   1.864
  281   2HD   ARG  38           HD1      ARG  38  -7.806  12.948   3.318
  282    HE   ARG  38           HE       ARG  38  -7.038  15.064   1.436
  283   1HH1  ARG  38          HH11      ARG  38  -6.898  14.783   4.531
  284   2HH1  ARG  38          HH12      ARG  38  -7.984  16.048   5.003
  285   1HH2  ARG  38          HH21      ARG  38  -9.326  16.374   1.782
  286   2HH2  ARG  38          HH22      ARG  38  -9.395  16.972   3.406
  287    H    LEU  39           HN       LEU  39  -7.653   9.339  -0.559
  288    HA   LEU  39           HA       LEU  39  -8.066   6.570   0.419
  289   1HB   LEU  39           HB2      LEU  39  -9.175   7.346  -1.690
  290   2HB   LEU  39           HB1      LEU  39  -7.584   7.567  -2.402
  291    HG   LEU  39           HG       LEU  39  -7.093   5.145  -1.998
  292   1HD1  LEU  39          HD11      LEU  39  -9.797   5.325  -0.733
  293   2HD1  LEU  39          HD13      LEU  39  -9.431   3.861  -1.638
  294   3HD1  LEU  39          HD12      LEU  39  -8.415   4.335  -0.281
  295   1HD2  LEU  39          HD22      LEU  39  -8.128   6.047  -4.142
  296   2HD2  LEU  39          HD21      LEU  39  -8.417   4.337  -3.838
  297   3HD2  LEU  39          HD23      LEU  39  -9.687   5.515  -3.521
  298    H    THR  40           HN       THR  40  -6.420   5.194   0.766
  299    HA   THR  40           HA       THR  40  -3.804   5.684  -0.534
  300    HB   THR  40           HB       THR  40  -2.564   5.778   1.555
  301    HG1  THR  40           HG1      THR  40  -3.561   5.146   3.406
  302   1HG2  THR  40          HG23      THR  40  -3.862   7.913   1.001
  303   2HG2  THR  40          HG22      THR  40  -5.126   7.330   2.079
  304   3HG2  THR  40          HG21      THR  40  -3.525   7.692   2.715
  305    NH1  ARG  41           NH1      ARG  41   1.614  -2.456   2.661
  306    NH2  ARG  41           NH2      ARG  41   1.698  -3.296   0.538
  307    H    ARG  41           HN       ARG  41  -2.282   3.862   0.815
  308    HA   ARG  41           HA       ARG  41  -3.377   1.351  -0.183
  309   1HB   ARG  41           HB2      ARG  41  -0.938   1.985  -0.266
  310   2HB   ARG  41           HB1      ARG  41  -0.883   1.762   1.479
  311   1HG   ARG  41           HG2      ARG  41  -2.163  -0.540   0.489
  312   2HG   ARG  41           HG1      ARG  41  -0.831  -0.246  -0.622
  313   1HD   ARG  41           HD2      ARG  41   0.733  -0.095   1.299
  314   2HD   ARG  41           HD1      ARG  41  -0.603  -0.405   2.405
  315    HE   ARG  41           HE       ARG  41  -0.797  -2.595   0.874
  316   1HH1  ARG  41          HH11      ARG  41   1.127  -1.921   3.351
  317   2HH1  ARG  41          HH12      ARG  41   2.496  -2.874   2.883
  318   1HH2  ARG  41          HH21      ARG  41   1.274  -3.392  -0.363
  319   2HH2  ARG  41          HH22      ARG  41   2.580  -3.728   0.724
  320    H    GLU  42           HN       GLU  42  -2.834   2.818   2.965
  321    HA   GLU  42           HA       GLU  42  -3.498   0.448   4.486
  322   1HB   GLU  42           HB2      GLU  42  -2.954   3.295   5.044
  323   2HB   GLU  42           HB1      GLU  42  -4.037   2.512   6.189
  324   1HG   GLU  42           HG2      GLU  42  -2.405   0.736   6.586
  325   2HG   GLU  42           HG1      GLU  42  -1.343   1.393   5.344
  326    H    ASP  43           HN       ASP  43  -5.366   1.852   2.370
  327    HA   ASP  43           HA       ASP  43  -7.830   1.904   4.060
  328   1HB   ASP  43           HB2      ASP  43  -7.256   3.009   1.301
  329   2HB   ASP  43           HB1      ASP  43  -8.857   3.007   2.038
  330    H    VAL  44           HN       VAL  44  -6.576   0.663   0.978
  331    HA   VAL  44           HA       VAL  44  -8.876  -1.099   0.602
  332    HB   VAL  44           HB       VAL  44  -6.194  -1.106  -0.810
  333   1HG1  VAL  44          HG13      VAL  44  -8.451  -2.857  -0.927
  334   2HG1  VAL  44          HG12      VAL  44  -8.435  -1.913  -2.412
  335   3HG1  VAL  44          HG11      VAL  44  -7.024  -2.865  -1.959
  336   1HG2  VAL  44          HG22      VAL  44  -7.367   1.085  -0.947
  337   2HG2  VAL  44          HG21      VAL  44  -7.338   0.269  -2.507
  338   3HG2  VAL  44          HG23      VAL  44  -8.808   0.262  -1.538
  339    H    GLU  45           HN       GLU  45  -5.419  -1.635   1.285
  340    HA   GLU  45           HA       GLU  45  -5.534  -4.417   1.656
  341   1HB   GLU  45           HB2      GLU  45  -3.436  -4.188   2.739
  342   2HB   GLU  45           HB1      GLU  45  -3.493  -2.891   1.566
  343   1HG   GLU  45           HG2      GLU  45  -2.838  -1.693   3.446
  344   2HG   GLU  45           HG1      GLU  45  -4.587  -1.573   3.615
  345    H    LYS  46           HN       LYS  46  -6.673  -1.850   3.673
  346    HA   LYS  46           HA       LYS  46  -6.757  -3.393   6.139
  347   1HB   LYS  46           HB2      LYS  46  -6.996  -0.733   5.543
  348   2HB   LYS  46           HB1      LYS  46  -8.671  -1.170   5.853
  349   1HG   LYS  46           HG2      LYS  46  -7.980  -2.200   8.012
  350   2HG   LYS  46           HG1      LYS  46  -6.321  -1.698   7.706
  351   1HD   LYS  46           HD2      LYS  46  -6.765   0.371   8.493
  352   2HD   LYS  46           HD1      LYS  46  -8.080   0.558   7.339
  353   1HE   LYS  46           HE2      LYS  46  -8.318  -0.932   9.973
  354   2HE   LYS  46           HE1      LYS  46  -8.832   0.733   9.729
  355   1HZ   LYS  46           HZ3      LYS  46  -9.978  -0.677   7.678
  356   2HZ   LYS  46           HZ2      LYS  46 -10.161  -1.680   9.037
  357   3HZ   LYS  46           HZ1      LYS  46 -10.758  -0.089   9.068
  358    H    HIS  47           HN       HIS  47  -8.761  -3.097   3.354
  359    HA   HIS  47           HA       HIS  47 -11.260  -3.894   4.532
  360   1HB   HIS  47           HB2      HIS  47 -10.668  -2.938   2.132
  361   2HB   HIS  47           HB1      HIS  47 -10.575  -4.649   1.719
  362    HD1  HIS  47           HD1      HIS  47 -13.002  -2.710   3.774
  363    HD2  HIS  47           HD2      HIS  47 -13.001  -5.442   0.774
  364    HE1  HIS  47           HE1      HIS  47 -15.347  -3.145   3.326
  365    H    LEU  48           HN       LEU  48  -8.383  -5.585   3.844
  366    HA   LEU  48           HA       LEU  48  -9.762  -8.218   3.842
  367   1HB   LEU  48           HB2      LEU  48  -6.925  -7.360   3.267
  368   2HB   LEU  48           HB1      LEU  48  -7.369  -9.053   3.455
  369    HG   LEU  48           HG       LEU  48  -9.085  -7.430   1.638
  370   1HD1  LEU  48          HD12      LEU  48  -6.233  -8.245   0.987
  371   2HD1  LEU  48          HD11      LEU  48  -7.425  -7.797  -0.228
  372   3HD1  LEU  48          HD13      LEU  48  -6.894  -6.614   0.963
  373   1HD2  LEU  48          HD23      LEU  48  -9.431  -9.859   2.066
  374   2HD2  LEU  48          HD22      LEU  48  -9.059  -9.545   0.374
  375   3HD2  LEU  48          HD21      LEU  48  -7.816 -10.185   1.445
  376    H    ALA  49           HN       ALA  49  -6.616  -7.438   5.219
  377    HA   ALA  49           HA       ALA  49  -7.359  -8.895   7.673
  378   1HB   ALA  49           HB2      ALA  49  -4.744  -7.605   6.842
  379   2HB   ALA  49           HB1      ALA  49  -4.970  -8.622   8.262
  380   3HB   ALA  49           HB3      ALA  49  -5.159  -9.306   6.650
  381    H    LYS  50           HN       LYS  50  -5.049  -6.607   8.372
  382    HA   LYS  50           HA       LYS  50  -6.892  -4.453   9.143
  383   1HB   LYS  50           HB2      LYS  50  -6.184  -4.631  11.573
  384   2HB   LYS  50           HB1      LYS  50  -7.273  -5.896  11.018
  385   1HG   LYS  50           HG2      LYS  50  -5.687  -7.525  11.228
  386   2HG   LYS  50           HG1      LYS  50  -4.407  -6.491  10.606
  387   1HD   LYS  50           HD2      LYS  50  -5.588  -6.032  13.349
  388   2HD   LYS  50           HD1      LYS  50  -4.284  -7.187  13.104
  389   1HE   LYS  50           HE2      LYS  50  -2.735  -5.549  12.739
  390   2HE   LYS  50           HE1      LYS  50  -3.855  -4.561  11.811
  391   1HZ   LYS  50           HZ1      LYS  50  -4.621  -4.705  14.544
  392   2HZ   LYS  50           HZ3      LYS  50  -3.032  -4.126  14.383
  393   3HZ   LYS  50           HZ2      LYS  50  -4.306  -3.343  13.580
  394    H    ALA  51           HN       ALA  51  -5.694  -2.653  10.221
  395    HA   ALA  51           HA       ALA  51  -3.042  -2.380   8.944
  396   1HB   ALA  51           HB1      ALA  51  -5.104  -0.541  10.010
  397   2HB   ALA  51           HB3      ALA  51  -3.437  -0.004  10.188
  398   3HB   ALA  51           HB2      ALA  51  -4.077  -0.375   8.590
   
 Raw file had 398 H/Q atoms
  Start of MODEL   18
    1    OH   TYR   1           OH       TYR   1  28.609   6.953  -9.839
    2   1H    TYR   1           HT1      TYR   1  23.662   7.051  -3.619
    3   2H    TYR   1           HT3      TYR   1  22.749   6.359  -4.872
    4   3H    TYR   1           HT2      TYR   1  24.392   5.968  -4.705
    5    HA   TYR   1           HA       TYR   1  25.100   8.070  -5.399
    6   1HB   TYR   1           HB2      TYR   1  23.180   6.601  -7.007
    7   2HB   TYR   1           HB1      TYR   1  23.148   8.318  -7.397
    8    HD1  TYR   1           HD1      TYR   1  25.871   5.947  -6.378
    9    HD2  TYR   1           HD2      TYR   1  24.503   8.766  -9.255
   10    HE1  TYR   1           HE1      TYR   1  27.970   5.699  -7.619
   11    HE2  TYR   1           HE2      TYR   1  26.602   8.519 -10.495
   12    HH   TYR   1           HH       TYR   1  28.427   6.438 -10.630
   13    H    ALA   2           HN       ALA   2  24.772  10.284  -5.593
   14    HA   ALA   2           HA       ALA   2  22.093  11.378  -4.989
   15   1HB   ALA   2           HB2      ALA   2  24.440  11.490  -3.139
   16   2HB   ALA   2           HB1      ALA   2  23.384  12.895  -3.232
   17   3HB   ALA   2           HB3      ALA   2  22.728  11.330  -2.761
   18    H    SER   3           HN       SER   3  21.982  12.555  -6.843
   19    HA   SER   3           HA       SER   3  24.302  14.184  -7.682
   20   1HB   SER   3           HB2      SER   3  23.245  14.367  -9.762
   21   2HB   SER   3           HB1      SER   3  22.554  12.835  -9.196
   22    HG   SER   3           HG1      SER   3  21.439  15.398  -9.255
   23    H    LEU   4           HN       LEU   4  23.611  16.466  -8.530
   24    HA   LEU   4           HA       LEU   4  22.968  18.072  -6.281
   25   1HB   LEU   4           HB2      LEU   4  23.822  18.522  -8.893
   26   2HB   LEU   4           HB1      LEU   4  22.264  19.335  -8.814
   27    HG   LEU   4           HG       LEU   4  24.560  19.710  -6.859
   28   1HD1  LEU   4          HD12      LEU   4  24.811  20.743  -9.159
   29   2HD1  LEU   4          HD11      LEU   4  23.344  21.663  -8.840
   30   3HD1  LEU   4          HD13      LEU   4  24.776  21.915  -7.847
   31   1HD2  LEU   4          HD21      LEU   4  21.687  20.418  -6.814
   32   2HD2  LEU   4          HD23      LEU   4  22.827  20.277  -5.479
   33   3HD2  LEU   4          HD22      LEU   4  22.777  21.750  -6.442
   34    H    GLU   5           HN       GLU   5  20.940  16.968  -8.966
   35    HA   GLU   5           HA       GLU   5  18.566  18.221  -7.724
   36   1HB   GLU   5           HB2      GLU   5  19.188  16.966 -10.361
   37   2HB   GLU   5           HB1      GLU   5  17.513  16.959  -9.822
   38   1HG   GLU   5           HG2      GLU   5  19.097  19.506  -9.628
   39   2HG   GLU   5           HG1      GLU   5  18.435  19.023 -11.188
   40    H    GLU   6           HN       GLU   6  18.883  16.754  -5.816
   41    HA   GLU   6           HA       GLU   6  17.808  14.009  -6.314
   42   1HB   GLU   6           HB2      GLU   6  20.025  14.459  -5.027
   43   2HB   GLU   6           HB1      GLU   6  18.973  14.949  -3.705
   44   1HG   GLU   6           HG2      GLU   6  17.770  12.738  -3.943
   45   2HG   GLU   6           HG1      GLU   6  19.004  12.256  -5.104
   46    H    GLN   7           HN       GLN   7  15.769  15.518  -6.591
   47    HA   GLN   7           HA       GLN   7  14.542  16.408  -4.098
   48   1HB   GLN   7           HB2      GLN   7  12.568  16.855  -5.505
   49   2HB   GLN   7           HB1      GLN   7  14.027  17.505  -6.245
   50   1HG   GLN   7           HG2      GLN   7  13.426  16.332  -8.097
   51   2HG   GLN   7           HG1      GLN   7  13.934  14.896  -7.210
   52   1HE2  GLN   7          HE22      GLN   7   9.916  15.786  -7.371
   53   2HE2  GLN   7          HE21      GLN   7  11.050  17.041  -7.522
   54    H    ASN   8           HN       ASN   8  15.349  13.647  -4.101
   55    HA   ASN   8           HA       ASN   8  12.787  12.158  -4.237
   56   1HB   ASN   8           HB2      ASN   8  14.084  10.174  -4.113
   57   2HB   ASN   8           HB1      ASN   8  15.032  11.259  -5.126
   58   1HD2  ASN   8          HD22      ASN   8  17.216   9.812  -2.417
   59   2HD2  ASN   8          HD21      ASN   8  16.219   9.120  -3.604
   60    H    ASN   9           HN       ASN   9  12.195  10.765  -2.396
   61    HA   ASN   9           HA       ASN   9  13.264  11.586   0.234
   62   1HB   ASN   9           HB2      ASN   9  11.316  13.139  -0.545
   63   2HB   ASN   9           HB1      ASN   9  10.289  11.754  -0.180
   64   1HD2  ASN   9          HD22      ASN   9  11.002  11.876   3.359
   65   2HD2  ASN   9          HD21      ASN   9  10.688  10.779   2.102
   66    H    ASP  10           HN       ASP  10  10.299   9.996  -0.929
   67    HA   ASP  10           HA       ASP  10  11.282   7.392   0.036
   68   1HB   ASP  10           HB2      ASP  10   9.814   7.102   1.805
   69   2HB   ASP  10           HB1      ASP  10  10.101   8.836   1.934
   70    H    ALA  11           HN       ALA  11  10.485   5.787  -1.194
   71    HA   ALA  11           HA       ALA  11   8.385   6.490  -3.170
   72   1HB   ALA  11           HB3      ALA  11  10.594   5.412  -3.839
   73   2HB   ALA  11           HB2      ALA  11  10.017   3.948  -3.050
   74   3HB   ALA  11           HB1      ALA  11   9.147   4.604  -4.433
   75    H    LEU  12           HN       LEU  12   6.762   4.771  -3.676
   76    HA   LEU  12           HA       LEU  12   5.656   3.721  -1.129
   77   1HB   LEU  12           HB2      LEU  12   4.346   3.789  -3.855
   78   2HB   LEU  12           HB1      LEU  12   3.556   3.537  -2.303
   79    HG   LEU  12           HG       LEU  12   5.015   6.065  -3.150
   80   1HD1  LEU  12          HD11      LEU  12   2.061   5.479  -2.735
   81   2HD1  LEU  12          HD13      LEU  12   2.743   7.056  -3.119
   82   3HD1  LEU  12          HD12      LEU  12   2.841   5.747  -4.291
   83   1HD2  LEU  12          HD22      LEU  12   3.753   5.125  -0.585
   84   2HD2  LEU  12          HD21      LEU  12   5.254   6.015  -0.820
   85   3HD2  LEU  12          HD23      LEU  12   3.707   6.839  -0.989
   86    H    SER  13           HN       SER  13   4.116   1.649  -1.995
   87    HA   SER  13           HA       SER  13   6.123  -0.432  -2.374
   88   1HB   SER  13           HB2      SER  13   4.268  -0.773  -0.790
   89   2HB   SER  13           HB1      SER  13   3.114  -0.656  -2.132
   90    HG   SER  13           HG1      SER  13   5.040  -2.286  -2.891
   91    HA   PRO  14           HA       PRO  14   5.436  -0.150  -6.874
   92   1HB   PRO  14           HB2      PRO  14   6.974  -2.542  -7.302
   93   2HB   PRO  14           HB1      PRO  14   7.424  -0.876  -7.669
   94   1HG   PRO  14           HG2      PRO  14   8.448  -2.542  -5.545
   95   2HG   PRO  14           HG1      PRO  14   8.867  -0.861  -5.884
   96   1HD   PRO  14           HD1      PRO  14   7.248  -1.895  -3.718
   97   2HD   PRO  14           HD2      PRO  14   7.708  -0.208  -4.030
   98    H    ALA  15           HN       ALA  15   4.471  -2.427  -4.646
   99    HA   ALA  15           HA       ALA  15   3.160  -4.192  -6.642
  100   1HB   ALA  15           HB3      ALA  15   4.376  -4.866  -4.352
  101   2HB   ALA  15           HB2      ALA  15   2.761  -4.576  -3.713
  102   3HB   ALA  15           HB1      ALA  15   3.005  -5.777  -4.978
  103    H    ILE  16           HN       ILE  16   2.513  -1.504  -4.652
  104    HA   ILE  16           HA       ILE  16  -0.178  -1.787  -3.933
  105    HB   ILE  16           HB       ILE  16   1.419   0.206  -3.543
  106   1HG1  ILE  16          HG12      ILE  16  -1.476   0.670  -4.343
  107   2HG1  ILE  16          HG11      ILE  16  -0.917   0.164  -2.754
  108   1HG2  ILE  16          HG21      ILE  16   1.602   0.436  -6.153
  109   2HG2  ILE  16          HG23      ILE  16   0.095   1.333  -5.996
  110   3HG2  ILE  16          HG22      ILE  16   1.542   1.892  -5.164
  111   1HD1  ILE  16           HD3      ILE  16   0.613   2.363  -3.045
  112   2HD1  ILE  16           HD2      ILE  16  -0.744   2.843  -4.058
  113   3HD1  ILE  16           HD1      ILE  16  -1.010   2.438  -2.366
  114    NH1  ARG  17           NH2      ARG  17   0.271   4.171 -11.535
  115    NH2  ARG  17           NH1      ARG  17  -1.980   4.009 -11.177
  116    H    ARG  17           HN       ARG  17   1.209  -1.372  -7.086
  117    HA   ARG  17           HA       ARG  17  -1.338  -0.676  -8.356
  118   1HB   ARG  17           HB2      ARG  17   1.416  -1.334  -9.394
  119   2HB   ARG  17           HB1      ARG  17   0.047  -1.119 -10.479
  120   1HG   ARG  17           HG2      ARG  17   0.377   0.980  -8.406
  121   2HG   ARG  17           HG1      ARG  17   1.628   0.934  -9.643
  122   1HD   ARG  17           HD2      ARG  17   0.074   1.294 -11.395
  123   2HD   ARG  17           HD1      ARG  17  -1.297   0.819 -10.394
  124    HE   ARG  17           HE       ARG  17  -0.513   3.002  -9.049
  125   1HH1  ARG  17          HH21      ARG  17   1.198   3.874 -11.307
  126   2HH1  ARG  17          HH22      ARG  17   0.128   4.864 -12.241
  127   1HH2  ARG  17          HH11      ARG  17  -2.740   3.591 -10.679
  128   2HH2  ARG  17          HH12      ARG  17  -2.161   4.700 -11.876
  129    NH1  ARG  18           NH1      ARG  18   2.670  -5.821 -13.986
  130    NH2  ARG  18           NH2      ARG  18   0.457  -5.273 -14.146
  131    H    ARG  18           HN       ARG  18   0.762  -3.522  -8.174
  132    HA   ARG  18           HA       ARG  18  -1.193  -5.141  -9.668
  133   1HB   ARG  18           HB2      ARG  18   1.262  -6.154  -8.234
  134   2HB   ARG  18           HB1      ARG  18   0.435  -6.876  -9.610
  135   1HG   ARG  18           HG2      ARG  18   1.976  -4.259  -9.596
  136   2HG   ARG  18           HG1      ARG  18   2.447  -5.747 -10.408
  137   1HD   ARG  18           HD2      ARG  18   0.104  -5.526 -11.588
  138   2HD   ARG  18           HD1      ARG  18   0.228  -3.835 -11.105
  139    HE   ARG  18           HE       ARG  18   2.389  -3.769 -12.399
  140   1HH1  ARG  18          HH11      ARG  18   3.539  -5.740 -13.498
  141   2HH1  ARG  18          HH12      ARG  18   2.612  -6.379 -14.814
  142   1HH2  ARG  18          HH21      ARG  18  -0.333  -4.782 -13.778
  143   2HH2  ARG  18          HH22      ARG  18   0.362  -5.823 -14.976
  144    H    LEU  19           HN       LEU  19  -1.555  -3.934  -6.839
  145    HA   LEU  19           HA       LEU  19  -2.071  -6.422  -5.309
  146   1HB   LEU  19           HB2      LEU  19  -0.988  -4.346  -4.287
  147   2HB   LEU  19           HB1      LEU  19  -2.572  -3.584  -4.400
  148    HG   LEU  19           HG       LEU  19  -3.302  -5.906  -3.235
  149   1HD1  LEU  19          HD12      LEU  19  -0.931  -6.711  -3.210
  150   2HD1  LEU  19          HD11      LEU  19  -0.507  -5.343  -2.184
  151   3HD1  LEU  19          HD13      LEU  19  -1.612  -6.579  -1.592
  152   1HD2  LEU  19          HD21      LEU  19  -2.114  -3.497  -1.812
  153   2HD2  LEU  19          HD23      LEU  19  -3.775  -3.642  -2.378
  154   3HD2  LEU  19          HD22      LEU  19  -3.197  -4.675  -1.076
  155    H    LEU  20           HN       LEU  20  -3.852  -3.469  -6.204
  156    HA   LEU  20           HA       LEU  20  -6.424  -4.473  -5.461
  157   1HB   LEU  20           HB2      LEU  20  -5.844  -2.438  -7.623
  158   2HB   LEU  20           HB1      LEU  20  -7.325  -2.599  -6.688
  159    HG   LEU  20           HG       LEU  20  -4.594  -1.908  -5.551
  160   1HD1  LEU  20          HD11      LEU  20  -7.103  -0.234  -5.927
  161   2HD1  LEU  20          HD13      LEU  20  -5.625   0.307  -5.140
  162   3HD1  LEU  20          HD12      LEU  20  -5.618  -0.070  -6.860
  163   1HD2  LEU  20          HD23      LEU  20  -7.291  -2.484  -4.347
  164   2HD2  LEU  20          HD22      LEU  20  -5.699  -2.991  -3.792
  165   3HD2  LEU  20          HD21      LEU  20  -6.224  -1.328  -3.556
  166    H    ALA  21           HN       ALA  21  -4.391  -5.572  -7.807
  167    HA   ALA  21           HA       ALA  21  -6.585  -6.350  -9.672
  168   1HB   ALA  21           HB2      ALA  21  -3.766  -5.730  -9.981
  169   2HB   ALA  21           HB1      ALA  21  -4.151  -7.298 -10.683
  170   3HB   ALA  21           HB3      ALA  21  -5.018  -5.860 -11.214
  171    H    GLU  22           HN       GLU  22  -3.955  -7.707  -7.735
  172    HA   GLU  22           HA       GLU  22  -4.378 -10.444  -8.402
  173   1HB   GLU  22           HB2      GLU  22  -2.377  -9.682  -7.213
  174   2HB   GLU  22           HB1      GLU  22  -3.356  -9.227  -5.823
  175   1HG   GLU  22           HG2      GLU  22  -3.830 -11.463  -5.265
  176   2HG   GLU  22           HG1      GLU  22  -3.477 -12.044  -6.890
  177    H    HIS  23           HN       HIS  23  -5.727  -8.459  -5.793
  178    HA   HIS  23           HA       HIS  23  -7.559 -10.689  -5.073
  179   1HB   HIS  23           HB2      HIS  23  -7.384  -8.031  -3.664
  180   2HB   HIS  23           HB1      HIS  23  -7.920  -9.580  -3.019
  181    HD1  HIS  23           HD1      HIS  23  -5.715 -11.357  -3.503
  182    HD2  HIS  23           HD2      HIS  23  -4.935  -7.475  -2.615
  183    HE1  HIS  23           HE1      HIS  23  -3.430 -11.352  -2.685
  184    H    ASN  24           HN       ASN  24  -7.507  -8.049  -7.085
  185    HA   ASN  24           HA       ASN  24  -9.197  -6.727  -8.071
  186   1HB   ASN  24           HB2      ASN  24 -10.080  -9.521  -7.936
  187   2HB   ASN  24           HB1      ASN  24 -11.411  -8.376  -8.095
  188   1HD2  ASN  24          HD22      ASN  24  -9.139  -9.180 -11.296
  189   2HD2  ASN  24          HD21      ASN  24  -9.089 -10.089  -9.864
  190    H    LEU  25           HN       LEU  25  -9.507  -5.149  -6.489
  191    HA   LEU  25           HA       LEU  25 -11.892  -5.576  -4.722
  192   1HB   LEU  25           HB2      LEU  25  -9.391  -3.967  -4.150
  193   2HB   LEU  25           HB1      LEU  25 -10.816  -4.005  -3.118
  194    HG   LEU  25           HG       LEU  25  -9.614  -6.626  -3.919
  195   1HD1  LEU  25          HD12      LEU  25  -8.433  -4.696  -1.897
  196   2HD1  LEU  25          HD11      LEU  25  -8.080  -6.421  -1.905
  197   3HD1  LEU  25          HD13      LEU  25  -7.617  -5.421  -3.278
  198   1HD2  LEU  25          HD22      LEU  25 -11.695  -6.421  -2.541
  199   2HD2  LEU  25          HD21      LEU  25 -10.398  -7.242  -1.679
  200   3HD2  LEU  25          HD23      LEU  25 -10.767  -5.560  -1.318
  201    H    ASP  26           HN       ASP  26 -13.290  -3.810  -4.467
  202    HA   ASP  26           HA       ASP  26 -13.211  -1.904  -6.721
  203   1HB   ASP  26           HB2      ASP  26 -15.449  -1.276  -5.232
  204   2HB   ASP  26           HB1      ASP  26 -15.417  -2.414  -6.577
  205    H    ALA  27           HN       ALA  27 -11.503  -0.535  -6.087
  206    HA   ALA  27           HA       ALA  27 -11.179   0.687  -3.558
  207   1HB   ALA  27           HB1      ALA  27 -10.200   1.119  -6.270
  208   2HB   ALA  27           HB3      ALA  27 -10.389   2.632  -5.389
  209   3HB   ALA  27           HB2      ALA  27  -9.370   1.353  -4.735
  210    H    SER  28           HN       SER  28 -13.703   1.038  -5.751
  211    HA   SER  28           HA       SER  28 -14.358   3.819  -5.113
  212   1HB   SER  28           HB2      SER  28 -15.071   2.108  -7.163
  213   2HB   SER  28           HB1      SER  28 -16.546   2.176  -6.180
  214    HG   SER  28           HG1      SER  28 -16.300   4.459  -6.144
  215    H    ALA  29           HN       ALA  29 -15.186   0.646  -3.931
  216    HA   ALA  29           HA       ALA  29 -17.486   1.491  -2.380
  217   1HB   ALA  29           HB3      ALA  29 -16.797  -0.903  -3.155
  218   2HB   ALA  29           HB2      ALA  29 -15.807  -0.908  -1.700
  219   3HB   ALA  29           HB1      ALA  29 -17.552  -0.711  -1.575
  220    H    ILE  30           HN       ILE  30 -14.050   1.395  -1.853
  221    HA   ILE  30           HA       ILE  30 -14.358   1.927   1.034
  222    HB   ILE  30           HB       ILE  30 -11.698   2.129  -0.312
  223   1HG1  ILE  30          HG12      ILE  30 -12.798   0.150  -1.407
  224   2HG1  ILE  30          HG11      ILE  30 -11.409  -0.286  -0.433
  225   1HG2  ILE  30          HG21      ILE  30 -12.706   0.902   2.275
  226   2HG2  ILE  30          HG23      ILE  30 -11.026   0.874   1.753
  227   3HG2  ILE  30          HG22      ILE  30 -11.817   2.409   2.095
  228   1HD1  ILE  30           HD2      ILE  30 -14.179  -0.341   0.766
  229   2HD1  ILE  30           HD1      ILE  30 -13.581  -1.699  -0.172
  230   3HD1  ILE  30           HD3      ILE  30 -12.738  -1.200   1.289
  231    H    LYS  31           HN       LYS  31 -13.918   3.866   2.019
  232    HA   LYS  31           HA       LYS  31 -13.875   6.211   0.203
  233   1HB   LYS  31           HB2      LYS  31 -14.591   5.779   3.087
  234   2HB   LYS  31           HB1      LYS  31 -14.200   7.399   2.520
  235   1HG   LYS  31           HG2      LYS  31 -15.927   7.218   0.769
  236   2HG   LYS  31           HG1      LYS  31 -16.302   5.581   1.295
  237   1HD   LYS  31           HD2      LYS  31 -16.368   7.293   3.593
  238   2HD   LYS  31           HD1      LYS  31 -17.337   8.039   2.327
  239   1HE   LYS  31           HE2      LYS  31 -18.563   5.909   2.014
  240   2HE   LYS  31           HE1      LYS  31 -17.600   5.170   3.287
  241   1HZ   LYS  31           HZ1      LYS  31 -19.027   7.653   3.888
  242   2HZ   LYS  31           HZ3      LYS  31 -19.922   6.213   3.785
  243   3HZ   LYS  31           HZ2      LYS  31 -18.650   6.345   4.904
  244    H    GLY  32           HN       GLY  32 -12.288   7.788   0.269
  245   1HA   GLY  32           HA2      GLY  32  -9.727   6.913   1.484
  246   2HA   GLY  32           HA1      GLY  32  -9.902   8.159   0.251
  247    H    THR  33           HN       THR  33  -9.178   7.687   3.413
  248    HA   THR  33           HA       THR  33 -10.445  10.186   4.387
  249    HB   THR  33           HB       THR  33  -9.133   9.399   6.561
  250    HG1  THR  33           HG1      THR  33  -8.599   7.597   4.600
  251   1HG2  THR  33          HG22      THR  33 -11.612   8.353   5.293
  252   2HG2  THR  33          HG21      THR  33 -10.913   7.310   6.528
  253   3HG2  THR  33          HG23      THR  33 -11.376   8.961   6.929
  254    H    GLY  34           HN       GLY  34  -7.609   9.199   2.890
  255   1HA   GLY  34           HA2      GLY  34  -5.578  10.693   4.142
  256   2HA   GLY  34           HA1      GLY  34  -5.627  10.365   2.412
  257    H    VAL  35           HN       VAL  35  -4.556  12.646   2.749
  258    HA   VAL  35           HA       VAL  35  -6.301  14.887   3.248
  259    HB   VAL  35           HB       VAL  35  -3.639  14.637   1.838
  260   1HG1  VAL  35          HG12      VAL  35  -5.418  17.035   2.315
  261   2HG1  VAL  35          HG11      VAL  35  -3.672  17.208   2.167
  262   3HG1  VAL  35          HG13      VAL  35  -4.609  16.557   0.826
  263   1HG2  VAL  35          HG22      VAL  35  -4.281  14.531   4.505
  264   2HG2  VAL  35          HG21      VAL  35  -2.732  15.094   3.887
  265   3HG2  VAL  35          HG23      VAL  35  -3.993  16.255   4.290
  266    H    GLY  36           HN       GLY  36  -7.697  15.896   1.926
  267   1HA   GLY  36           HA2      GLY  36  -8.701  16.600  -0.103
  268   2HA   GLY  36           HA1      GLY  36  -7.421  15.768  -0.983
  269    H    GLY  37           HN       GLY  37  -8.181  13.399   0.904
  270   1HA   GLY  37           HA2      GLY  37  -9.958  11.762   0.962
  271   2HA   GLY  37           HA1      GLY  37 -10.730  12.594  -0.385
  272    NH1  ARG  38           NH2      ARG  38  -5.733  14.373  -4.513
  273    NH2  ARG  38           NH1      ARG  38  -4.552  14.158  -6.457
  274    H    ARG  38           HN       ARG  38  -7.340  11.662  -0.197
  275    HA   ARG  38           HA       ARG  38  -7.653  10.169  -2.725
  276   1HB   ARG  38           HB2      ARG  38  -5.387  11.300  -1.164
  277   2HB   ARG  38           HB1      ARG  38  -5.041   9.884  -2.151
  278   1HG   ARG  38           HG2      ARG  38  -5.750  10.976  -4.151
  279   2HG   ARG  38           HG1      ARG  38  -6.536  12.271  -3.255
  280   1HD   ARG  38           HD2      ARG  38  -4.492  13.283  -2.676
  281   2HD   ARG  38           HD1      ARG  38  -3.576  11.801  -2.936
  282    HE   ARG  38           HE       ARG  38  -3.414  12.377  -5.220
  283   1HH1  ARG  38          HH21      ARG  38  -5.901  14.069  -3.575
  284   2HH1  ARG  38          HH22      ARG  38  -6.275  15.118  -4.902
  285   1HH2  ARG  38          HH11      ARG  38  -3.834  13.694  -6.976
  286   2HH2  ARG  38          HH12      ARG  38  -5.074  14.900  -6.878
  287    H    LEU  39           HN       LEU  39  -7.447   7.986  -2.941
  288    HA   LEU  39           HA       LEU  39  -7.800   6.362  -0.558
  289   1HB   LEU  39           HB2      LEU  39  -8.814   5.876  -2.832
  290   2HB   LEU  39           HB1      LEU  39  -7.206   5.416  -3.371
  291    HG   LEU  39           HG       LEU  39  -7.108   3.732  -1.505
  292   1HD1  LEU  39          HD13      LEU  39  -9.796   4.933  -0.967
  293   2HD1  LEU  39          HD12      LEU  39  -9.640   3.194  -0.757
  294   3HD1  LEU  39          HD11      LEU  39  -8.613   4.287   0.163
  295   1HD2  LEU  39          HD22      LEU  39  -7.884   3.207  -3.864
  296   2HD2  LEU  39          HD21      LEU  39  -8.498   2.108  -2.632
  297   3HD2  LEU  39          HD23      LEU  39  -9.537   3.370  -3.283
  298    H    THR  40           HN       THR  40  -6.376   4.789   0.266
  299    HA   THR  40           HA       THR  40  -3.581   4.838  -0.757
  300    HB   THR  40           HB       THR  40  -2.631   5.437   1.353
  301    HG1  THR  40           HG1      THR  40  -3.735   4.991   3.181
  302   1HG2  THR  40          HG23      THR  40  -4.014   7.357   0.337
  303   2HG2  THR  40          HG22      THR  40  -5.299   6.887   1.446
  304   3HG2  THR  40          HG21      THR  40  -3.755   7.455   2.076
  305    NH1  ARG  41           NH2      ARG  41   0.620  -3.141   0.384
  306    NH2  ARG  41           NH1      ARG  41   2.011  -1.410   0.925
  307    H    ARG  41           HN       ARG  41  -2.574   3.378   1.506
  308    HA   ARG  41           HA       ARG  41  -3.662   0.718   0.793
  309   1HB   ARG  41           HB2      ARG  41  -1.169   1.260   0.823
  310   2HB   ARG  41           HB1      ARG  41  -1.297   1.309   2.578
  311   1HG   ARG  41           HG2      ARG  41  -0.812  -0.932   2.356
  312   2HG   ARG  41           HG1      ARG  41  -2.554  -1.037   2.126
  313   1HD   ARG  41           HD2      ARG  41  -1.687  -2.213   0.262
  314   2HD   ARG  41           HD1      ARG  41  -2.019  -0.611  -0.393
  315    HE   ARG  41           HE       ARG  41   0.314  -0.288  -0.636
  316   1HH1  ARG  41          HH21      ARG  41  -0.246  -3.453  -0.007
  317   2HH1  ARG  41          HH22      ARG  41   1.275  -3.804   0.744
  318   1HH2  ARG  41          HH11      ARG  41   2.187  -0.426   0.938
  319   2HH2  ARG  41          HH12      ARG  41   2.689  -2.045   1.293
  320    H    GLU  42           HN       GLU  42  -2.921   2.599   3.716
  321    HA   GLU  42           HA       GLU  42  -3.880   0.808   5.653
  322   1HB   GLU  42           HB2      GLU  42  -4.186   3.822   5.644
  323   2HB   GLU  42           HB1      GLU  42  -4.291   2.786   7.064
  324   1HG   GLU  42           HG2      GLU  42  -2.040   2.783   7.266
  325   2HG   GLU  42           HG1      GLU  42  -1.867   2.179   5.620
  326    H    ASP  43           HN       ASP  43  -5.608   2.224   3.143
  327    HA   ASP  43           HA       ASP  43  -8.202   2.118   4.575
  328   1HB   ASP  43           HB2      ASP  43  -7.509   2.951   1.746
  329   2HB   ASP  43           HB1      ASP  43  -9.121   3.036   2.452
  330    H    VAL  44           HN       VAL  44  -6.671   0.706   1.695
  331    HA   VAL  44           HA       VAL  44  -8.837  -1.210   1.320
  332    HB   VAL  44           HB       VAL  44  -6.074  -1.006   0.101
  333   1HG1  VAL  44          HG12      VAL  44  -8.353  -2.942  -0.322
  334   2HG1  VAL  44          HG11      VAL  44  -7.224  -2.581  -1.624
  335   3HG1  VAL  44          HG13      VAL  44  -6.639  -3.295  -0.125
  336   1HG2  VAL  44          HG22      VAL  44  -7.884   0.767  -0.363
  337   2HG2  VAL  44          HG21      VAL  44  -7.192  -0.032  -1.771
  338   3HG2  VAL  44          HG23      VAL  44  -8.775  -0.517  -1.173
  339    H    GLU  45           HN       GLU  45  -6.036  -1.056   3.256
  340    HA   GLU  45           HA       GLU  45  -5.406  -3.849   3.438
  341   1HB   GLU  45           HB2      GLU  45  -3.992  -1.897   4.256
  342   2HB   GLU  45           HB1      GLU  45  -5.068  -1.815   5.646
  343   1HG   GLU  45           HG2      GLU  45  -4.464  -4.519   5.499
  344   2HG   GLU  45           HG1      GLU  45  -2.943  -3.753   5.048
  345    H    LYS  46           HN       LYS  46  -7.879  -1.878   4.857
  346    HA   LYS  46           HA       LYS  46  -8.611  -4.014   6.779
  347   1HB   LYS  46           HB2      LYS  46  -9.043  -1.133   6.578
  348   2HB   LYS  46           HB1      LYS  46 -10.524  -1.996   6.966
  349   1HG   LYS  46           HG2      LYS  46  -7.913  -2.497   8.422
  350   2HG   LYS  46           HG1      LYS  46  -9.093  -1.312   8.969
  351   1HD   LYS  46           HD2      LYS  46 -10.445  -2.919   9.819
  352   2HD   LYS  46           HD1      LYS  46 -10.346  -3.878   8.347
  353   1HE   LYS  46           HE2      LYS  46  -9.379  -5.086  10.293
  354   2HE   LYS  46           HE1      LYS  46  -8.169  -4.780   9.053
  355   1HZ   LYS  46           HZ1      LYS  46  -7.495  -2.796  10.321
  356   2HZ   LYS  46           HZ3      LYS  46  -8.577  -3.239  11.552
  357   3HZ   LYS  46           HZ2      LYS  46  -7.263  -4.246  11.176
  358    H    HIS  47           HN       HIS  47  -8.942  -4.018   3.726
  359    HA   HIS  47           HA       HIS  47 -11.802  -4.893   3.758
  360   1HB   HIS  47           HB2      HIS  47 -11.192  -2.597   2.579
  361   2HB   HIS  47           HB1      HIS  47 -10.668  -3.663   1.279
  362    HD1  HIS  47           HD1      HIS  47 -13.712  -2.885   3.210
  363    HD2  HIS  47           HD2      HIS  47 -12.699  -4.864  -0.185
  364    HE1  HIS  47           HE1      HIS  47 -15.826  -3.417   2.143
  365    H    LEU  48           HN       LEU  48  -8.822  -5.980   3.585
  366    HA   LEU  48           HA       LEU  48  -8.770  -7.487   1.123
  367   1HB   LEU  48           HB2      LEU  48  -7.234  -7.501   3.682
  368   2HB   LEU  48           HB1      LEU  48  -7.131  -8.930   2.659
  369    HG   LEU  48           HG       LEU  48  -6.816  -6.213   1.410
  370   1HD1  LEU  48          HD12      LEU  48  -4.649  -7.762   2.873
  371   2HD1  LEU  48          HD11      LEU  48  -4.373  -6.351   1.856
  372   3HD1  LEU  48          HD13      LEU  48  -5.291  -6.195   3.350
  373   1HD2  LEU  48          HD21      LEU  48  -6.901  -8.654   0.318
  374   2HD2  LEU  48          HD23      LEU  48  -5.825  -7.412  -0.313
  375   3HD2  LEU  48          HD22      LEU  48  -5.200  -8.652   0.769
  376    H    ALA  49           HN       ALA  49 -11.058  -8.227   1.284
  377    HA   ALA  49           HA       ALA  49 -11.557 -10.394   3.227
  378   1HB   ALA  49           HB1      ALA  49 -13.183  -8.553   1.870
  379   2HB   ALA  49           HB3      ALA  49 -13.576 -10.117   1.164
  380   3HB   ALA  49           HB2      ALA  49 -13.723  -9.873   2.902
  381    H    LYS  50           HN       LYS  50 -12.968 -12.240   1.942
  382    HA   LYS  50           HA       LYS  50 -10.951 -13.462   0.139
  383   1HB   LYS  50           HB2      LYS  50 -12.771 -15.419   0.475
  384   2HB   LYS  50           HB1      LYS  50 -11.482 -15.114   1.635
  385   1HG   LYS  50           HG2      LYS  50 -12.918 -13.917   3.092
  386   2HG   LYS  50           HG1      LYS  50 -14.128 -13.672   1.838
  387   1HD   LYS  50           HD2      LYS  50 -14.782 -15.978   1.887
  388   2HD   LYS  50           HD1      LYS  50 -13.379 -16.427   2.848
  389   1HE   LYS  50           HE2      LYS  50 -14.237 -15.419   4.800
  390   2HE   LYS  50           HE1      LYS  50 -15.359 -14.410   3.897
  391   1HZ   LYS  50           HZ2      LYS  50 -16.476 -16.547   3.230
  392   2HZ   LYS  50           HZ1      LYS  50 -15.537 -17.315   4.419
  393   3HZ   LYS  50           HZ3      LYS  50 -16.636 -16.098   4.860
  394    H    ALA  51           HN       ALA  51 -14.437 -12.803   0.257
  395    HA   ALA  51           HA       ALA  51 -15.274 -13.795  -2.192
  396   1HB   ALA  51           HB3      ALA  51 -16.453 -12.249  -0.341
  397   2HB   ALA  51           HB2      ALA  51 -16.157 -11.021  -1.567
  398   3HB   ALA  51           HB1      ALA  51 -17.119 -12.442  -1.959
   
 Raw file had 398 H/Q atoms
  Start of MODEL   19
    1    OH   TYR   1           OH       TYR   1  21.359  -3.040  -8.350
    2   1H    TYR   1           HT2      TYR   1  27.573  -4.117  -2.785
    3   2H    TYR   1           HT1      TYR   1  27.353  -5.646  -3.492
    4   3H    TYR   1           HT3      TYR   1  28.142  -4.416  -4.358
    5    HA   TYR   1           HA       TYR   1  26.234  -3.300  -4.842
    6   1HB   TYR   1           HB2      TYR   1  26.207  -5.724  -5.721
    7   2HB   TYR   1           HB1      TYR   1  25.025  -6.038  -4.452
    8    HD1  TYR   1           HD1      TYR   1  22.909  -4.609  -4.397
    9    HD2  TYR   1           HD2      TYR   1  25.557  -4.614  -7.725
   10    HE1  TYR   1           HE1      TYR   1  21.146  -3.644  -5.801
   11    HE2  TYR   1           HE2      TYR   1  23.794  -3.649  -9.129
   12    HH   TYR   1           HH       TYR   1  21.776  -2.636  -9.114
   13    H    ALA   2           HN       ALA   2  25.509  -1.889  -3.317
   14    HA   ALA   2           HA       ALA   2  23.206  -2.739  -1.719
   15   1HB   ALA   2           HB3      ALA   2  25.779  -2.776  -0.531
   16   2HB   ALA   2           HB2      ALA   2  24.942  -1.370   0.119
   17   3HB   ALA   2           HB1      ALA   2  24.224  -2.971   0.272
   18    H    SER   3           HN       SER   3  22.250  -0.860  -0.534
   19    HA   SER   3           HA       SER   3  23.135   1.817  -1.322
   20   1HB   SER   3           HB2      SER   3  21.963   1.104  -3.380
   21   2HB   SER   3           HB1      SER   3  20.515   0.738  -2.422
   22    HG   SER   3           HG1      SER   3  20.112   2.793  -2.332
   23    H    LEU   4           HN       LEU   4  19.830   1.813  -1.110
   24    HA   LEU   4           HA       LEU   4  19.811   1.965   1.870
   25   1HB   LEU   4           HB2      LEU   4  19.643   4.183   0.074
   26   2HB   LEU   4           HB1      LEU   4  18.074   3.986   0.845
   27    HG   LEU   4           HG       LEU   4  20.734   4.098   2.320
   28   1HD1  LEU   4          HD12      LEU   4  20.091   6.267   1.285
   29   2HD1  LEU   4          HD11      LEU   4  18.523   6.169   2.080
   30   3HD1  LEU   4          HD13      LEU   4  19.989   6.334   3.042
   31   1HD2  LEU   4          HD23      LEU   4  17.981   3.398   3.092
   32   2HD2  LEU   4          HD22      LEU   4  19.488   3.113   3.952
   33   3HD2  LEU   4          HD21      LEU   4  18.677   4.669   4.090
   34    H    GLU   5           HN       GLU   5  18.560   0.597  -0.805
   35    HA   GLU   5           HA       GLU   5  15.760   0.508   0.200
   36   1HB   GLU   5           HB2      GLU   5  17.025  -0.381  -2.399
   37   2HB   GLU   5           HB1      GLU   5  15.341  -0.686  -1.989
   38   1HG   GLU   5           HG2      GLU   5  14.745   1.465  -2.415
   39   2HG   GLU   5           HG1      GLU   5  16.129   2.105  -1.533
   40    H    GLU   6           HN       GLU   6  18.050  -1.841  -1.192
   41    HA   GLU   6           HA       GLU   6  16.754  -4.059   0.171
   42   1HB   GLU   6           HB2      GLU   6  18.154  -4.034  -2.050
   43   2HB   GLU   6           HB1      GLU   6  19.528  -4.225  -0.966
   44   1HG   GLU   6           HG2      GLU   6  18.424  -6.214   0.050
   45   2HG   GLU   6           HG1      GLU   6  17.089  -6.036  -1.084
   46    H    GLN   7           HN       GLN   7  17.602  -2.003   1.957
   47    HA   GLN   7           HA       GLN   7  20.049  -2.890   3.281
   48   1HB   GLN   7           HB2      GLN   7  19.030  -0.510   3.251
   49   2HB   GLN   7           HB1      GLN   7  17.956  -1.100   4.513
   50   1HG   GLN   7           HG2      GLN   7  20.123  -1.925   5.690
   51   2HG   GLN   7           HG1      GLN   7  20.971  -0.859   4.573
   52   1HE2  GLN   7          HE22      GLN   7  19.645   0.818   7.836
   53   2HE2  GLN   7          HE21      GLN   7  20.191  -0.777   7.643
   54    H    ASN   8           HN       ASN   8  18.242  -2.276   5.847
   55    HA   ASN   8           HA       ASN   8  18.238  -4.902   6.884
   56   1HB   ASN   8           HB2      ASN   8  16.430  -2.587   7.628
   57   2HB   ASN   8           HB1      ASN   8  16.696  -4.023   8.612
   58   1HD2  ASN   8          HD22      ASN   8  20.362  -2.919   8.680
   59   2HD2  ASN   8          HD21      ASN   8  19.598  -4.159   7.811
   60    H    ASN   9           HN       ASN   9  15.083  -3.717   7.211
   61    HA   ASN   9           HA       ASN   9  14.058  -6.027   5.658
   62   1HB   ASN   9           HB2      ASN   9  13.329  -4.856   8.106
   63   2HB   ASN   9           HB1      ASN   9  12.018  -4.467   6.995
   64   1HD2  ASN   9          HD22      ASN   9  10.706  -7.707   7.235
   65   2HD2  ASN   9          HD21      ASN   9  10.436  -6.044   7.018
   66    H    ASP  10           HN       ASP  10  11.650  -5.363   4.823
   67    HA   ASP  10           HA       ASP  10  12.200  -3.356   2.723
   68   1HB   ASP  10           HB2      ASP  10  11.094  -5.703   2.406
   69   2HB   ASP  10           HB1      ASP  10   9.631  -4.897   2.971
   70    H    ALA  11           HN       ALA  11   9.248  -2.921   2.439
   71    HA   ALA  11           HA       ALA  11   8.223  -1.613   4.762
   72   1HB   ALA  11           HB3      ALA  11   9.939   0.029   2.926
   73   2HB   ALA  11           HB2      ALA  11   8.568   0.780   3.738
   74   3HB   ALA  11           HB1      ALA  11   9.861   0.050   4.686
   75    H    LEU  12           HN       LEU  12   8.300  -0.074   1.601
   76    HA   LEU  12           HA       LEU  12   5.402  -0.153   1.417
   77   1HB   LEU  12           HB2      LEU  12   7.555   0.707  -0.525
   78   2HB   LEU  12           HB1      LEU  12   5.834   0.845  -0.870
   79    HG   LEU  12           HG       LEU  12   6.770   1.927   1.748
   80   1HD1  LEU  12          HD11      LEU  12   7.412   3.140  -0.954
   81   2HD1  LEU  12          HD13      LEU  12   7.315   4.109   0.514
   82   3HD1  LEU  12          HD12      LEU  12   8.520   2.833   0.380
   83   1HD2  LEU  12          HD21      LEU  12   4.390   1.982   0.994
   84   2HD2  LEU  12          HD23      LEU  12   5.044   3.600   1.232
   85   3HD2  LEU  12          HD22      LEU  12   4.874   2.950  -0.396
   86    H    SER  13           HN       SER  13   4.903  -0.657  -1.238
   87    HA   SER  13           HA       SER  13   5.817  -3.437  -1.714
   88   1HB   SER  13           HB2      SER  13   3.253  -2.739  -0.696
   89   2HB   SER  13           HB1      SER  13   3.044  -3.344  -2.351
   90    HG   SER  13           HG1      SER  13   4.671  -4.549  -0.359
   91    HA   PRO  14           HA       PRO  14   6.056  -1.264  -5.725
   92   1HB   PRO  14           HB2      PRO  14   6.899  -3.691  -7.020
   93   2HB   PRO  14           HB1      PRO  14   7.861  -2.257  -6.658
   94   1HG   PRO  14           HG2      PRO  14   7.993  -4.825  -5.352
   95   2HG   PRO  14           HG1      PRO  14   8.914  -3.374  -4.953
   96   1HD   PRO  14           HD1      PRO  14   6.711  -4.556  -3.486
   97   2HD   PRO  14           HD2      PRO  14   7.678  -3.133  -3.046
   98    H    ALA  15           HN       ALA  15   4.207  -3.925  -4.753
   99    HA   ALA  15           HA       ALA  15   2.742  -4.087  -7.336
  100   1HB   ALA  15           HB2      ALA  15   2.799  -5.772  -4.845
  101   2HB   ALA  15           HB1      ALA  15   1.472  -5.918  -5.992
  102   3HB   ALA  15           HB3      ALA  15   3.121  -6.253  -6.508
  103    H    ILE  16           HN       ILE  16   2.645  -2.348  -4.508
  104    HA   ILE  16           HA       ILE  16   0.014  -2.242  -3.633
  105    HB   ILE  16           HB       ILE  16   1.897  -0.837  -2.765
  106   1HG1  ILE  16          HG12      ILE  16  -0.591   0.711  -3.570
  107   2HG1  ILE  16          HG11      ILE  16  -0.487  -0.371  -2.185
  108   1HG2  ILE  16          HG23      ILE  16   2.527  -0.116  -5.165
  109   2HG2  ILE  16          HG22      ILE  16   1.225   1.060  -5.017
  110   3HG2  ILE  16          HG21      ILE  16   2.594   1.121  -3.914
  111   1HD1  ILE  16           HD3      ILE  16   1.523   1.066  -1.434
  112   2HD1  ILE  16           HD2      ILE  16   0.976   2.239  -2.628
  113   3HD1  ILE  16           HD1      ILE  16  -0.073   1.795  -1.285
  114    NH1  ARG  17           NH2      ARG  17   0.709   1.630 -12.223
  115    NH2  ARG  17           NH1      ARG  17   2.983   1.803 -12.073
  116    H    ARG  17           HN       ARG  17   1.237  -1.332  -6.723
  117    HA   ARG  17           HA       ARG  17  -1.108   0.279  -7.442
  118   1HB   ARG  17           HB2      ARG  17   1.032  -0.848  -9.262
  119   2HB   ARG  17           HB1      ARG  17  -0.062   0.485  -9.612
  120   1HG   ARG  17           HG2      ARG  17   0.934   1.794  -7.766
  121   2HG   ARG  17           HG1      ARG  17   2.024   0.459  -7.405
  122   1HD   ARG  17           HD2      ARG  17   3.181   2.118  -8.802
  123   2HD   ARG  17           HD1      ARG  17   2.950   0.631  -9.720
  124    HE   ARG  17           HE       ARG  17   1.107   2.970 -10.025
  125   1HH1  ARG  17          HH21      ARG  17  -0.186   1.700 -11.782
  126   2HH1  ARG  17          HH22      ARG  17   0.773   1.367 -13.185
  127   1HH2  ARG  17          HH11      ARG  17   3.792   2.003 -11.521
  128   2HH2  ARG  17          HH12      ARG  17   3.084   1.542 -13.034
  129    NH1  ARG  18           NH2      ARG  18   3.088  -6.181 -11.488
  130    NH2  ARG  18           NH1      ARG  18   1.679  -7.854 -10.831
  131    H    ARG  18           HN       ARG  18   0.185  -2.916  -8.284
  132    HA   ARG  18           HA       ARG  18  -2.321  -3.554  -9.726
  133   1HB   ARG  18           HB2      ARG  18   0.380  -4.829  -9.490
  134   2HB   ARG  18           HB1      ARG  18  -0.990  -5.813  -9.991
  135   1HG   ARG  18           HG2      ARG  18  -1.319  -4.598 -11.956
  136   2HG   ARG  18           HG1      ARG  18  -0.572  -3.145 -11.302
  137   1HD   ARG  18           HD2      ARG  18   0.902  -4.231 -12.978
  138   2HD   ARG  18           HD1      ARG  18   1.645  -4.246 -11.379
  139    HE   ARG  18           HE       ARG  18   0.218  -6.630 -12.495
  140   1HH1  ARG  18          HH21      ARG  18   3.224  -5.313 -11.966
  141   2HH1  ARG  18          HH22      ARG  18   3.863  -6.634 -11.046
  142   1HH2  ARG  18          HH11      ARG  18   0.756  -8.241 -10.816
  143   2HH2  ARG  18          HH12      ARG  18   2.428  -8.336 -10.377
  144    H    LEU  19           HN       LEU  19  -1.411  -3.541  -6.603
  145    HA   LEU  19           HA       LEU  19  -2.169  -6.144  -5.666
  146   1HB   LEU  19           HB2      LEU  19  -0.961  -4.237  -4.399
  147   2HB   LEU  19           HB1      LEU  19  -2.576  -3.613  -4.082
  148    HG   LEU  19           HG       LEU  19  -2.974  -6.199  -3.413
  149   1HD1  LEU  19          HD11      LEU  19  -0.590  -6.760  -3.928
  150   2HD1  LEU  19          HD13      LEU  19  -0.083  -5.624  -2.683
  151   3HD1  LEU  19          HD12      LEU  19  -1.000  -7.060  -2.241
  152   1HD2  LEU  19          HD23      LEU  19  -1.735  -4.039  -1.674
  153   2HD2  LEU  19          HD22      LEU  19  -3.454  -4.280  -1.967
  154   3HD2  LEU  19          HD21      LEU  19  -2.540  -5.477  -1.054
  155    H    LEU  20           HN       LEU  20  -3.987  -3.190  -6.277
  156    HA   LEU  20           HA       LEU  20  -6.475  -4.173  -5.178
  157   1HB   LEU  20           HB2      LEU  20  -5.757  -1.912  -7.039
  158   2HB   LEU  20           HB1      LEU  20  -7.433  -2.275  -6.643
  159    HG   LEU  20           HG       LEU  20  -5.540  -2.122  -4.349
  160   1HD1  LEU  20          HD11      LEU  20  -6.451   0.303  -5.934
  161   2HD1  LEU  20          HD13      LEU  20  -5.750   0.377  -4.320
  162   3HD1  LEU  20          HD12      LEU  20  -4.785  -0.207  -5.673
  163   1HD2  LEU  20          HD22      LEU  20  -8.118  -2.505  -4.374
  164   2HD2  LEU  20          HD21      LEU  20  -7.468  -1.352  -3.213
  165   3HD2  LEU  20          HD23      LEU  20  -8.221  -0.777  -4.698
  166    H    ALA  21           HN       ALA  21  -4.885  -4.433  -8.261
  167    HA   ALA  21           HA       ALA  21  -7.314  -5.575  -9.519
  168   1HB   ALA  21           HB2      ALA  21  -5.074  -4.134 -10.478
  169   2HB   ALA  21           HB1      ALA  21  -4.970  -5.746 -11.179
  170   3HB   ALA  21           HB3      ALA  21  -6.418  -4.773 -11.420
  171    H    GLU  22           HN       GLU  22  -4.489  -6.571  -7.899
  172    HA   GLU  22           HA       GLU  22  -4.196  -9.162  -9.176
  173   1HB   GLU  22           HB2      GLU  22  -2.340  -8.083  -7.957
  174   2HB   GLU  22           HB1      GLU  22  -3.253  -8.212  -6.458
  175   1HG   GLU  22           HG2      GLU  22  -2.646 -10.378  -6.193
  176   2HG   GLU  22           HG1      GLU  22  -3.142 -10.775  -7.836
  177    H    HIS  23           HN       HIS  23  -5.725  -8.012  -6.193
  178    HA   HIS  23           HA       HIS  23  -6.881 -10.716  -5.762
  179   1HB   HIS  23           HB2      HIS  23  -7.004  -8.249  -4.006
  180   2HB   HIS  23           HB1      HIS  23  -7.533  -9.868  -3.558
  181    HD1  HIS  23           HD1      HIS  23  -5.307 -11.556  -4.247
  182    HD2  HIS  23           HD2      HIS  23  -4.576  -7.816  -2.856
  183    HE1  HIS  23           HE1      HIS  23  -3.032 -11.638  -3.407
  184    H    ASN  24           HN       ASN  24  -7.680  -8.412  -7.730
  185    HA   ASN  24           HA       ASN  24  -9.695  -7.485  -8.538
  186   1HB   ASN  24           HB2      ASN  24 -10.987  -9.961  -7.397
  187   2HB   ASN  24           HB1      ASN  24 -11.396  -9.098  -8.877
  188   1HD2  ASN  24          HD22      ASN  24  -7.950 -10.334 -10.081
  189   2HD2  ASN  24          HD21      ASN  24  -8.402  -8.812  -9.480
  190    H    LEU  25           HN       LEU  25  -9.709  -5.780  -6.954
  191    HA   LEU  25           HA       LEU  25 -11.800  -6.154  -4.836
  192   1HB   LEU  25           HB2      LEU  25  -9.270  -4.502  -4.814
  193   2HB   LEU  25           HB1      LEU  25 -10.564  -4.278  -3.641
  194    HG   LEU  25           HG       LEU  25  -9.635  -7.077  -4.072
  195   1HD1  LEU  25          HD11      LEU  25  -7.994  -4.941  -2.672
  196   2HD1  LEU  25          HD13      LEU  25  -7.750  -6.668  -2.436
  197   3HD1  LEU  25          HD12      LEU  25  -7.484  -5.951  -4.022
  198   1HD2  LEU  25          HD22      LEU  25 -11.412  -6.083  -2.406
  199   2HD2  LEU  25          HD21      LEU  25 -10.298  -7.319  -1.832
  200   3HD2  LEU  25          HD23      LEU  25 -10.000  -5.625  -1.458
  201    H    ASP  26           HN       ASP  26 -13.159  -4.343  -4.418
  202    HA   ASP  26           HA       ASP  26 -13.536  -2.634  -6.821
  203   1HB   ASP  26           HB2      ASP  26 -15.363  -3.042  -4.437
  204   2HB   ASP  26           HB1      ASP  26 -15.773  -2.211  -5.937
  205    H    ALA  27           HN       ALA  27 -11.765  -1.209  -6.324
  206    HA   ALA  27           HA       ALA  27 -11.364   0.200  -3.924
  207   1HB   ALA  27           HB3      ALA  27 -10.385   0.339  -6.562
  208   2HB   ALA  27           HB2      ALA  27 -10.965   1.958  -6.182
  209   3HB   ALA  27           HB1      ALA  27  -9.760   1.189  -5.153
  210    H    SER  28           HN       SER  28 -13.594   0.890  -6.571
  211    HA   SER  28           HA       SER  28 -14.506   3.432  -5.864
  212   1HB   SER  28           HB2      SER  28 -16.812   2.494  -6.709
  213   2HB   SER  28           HB1      SER  28 -15.444   2.514  -7.840
  214    HG   SER  28           HG1      SER  28 -16.425   0.432  -7.686
  215    H    ALA  29           HN       ALA  29 -14.690   0.592  -4.026
  216    HA   ALA  29           HA       ALA  29 -16.981   1.565  -2.415
  217   1HB   ALA  29           HB2      ALA  29 -16.518  -0.915  -3.133
  218   2HB   ALA  29           HB1      ALA  29 -15.400  -0.905  -1.773
  219   3HB   ALA  29           HB3      ALA  29 -17.111  -0.585  -1.509
  220    H    ILE  30           HN       ILE  30 -13.516   1.027  -2.201
  221    HA   ILE  30           HA       ILE  30 -13.342   1.639   0.629
  222    HB   ILE  30           HB       ILE  30 -11.149   1.833  -1.455
  223   1HG1  ILE  30          HG12      ILE  30 -12.161  -0.360  -1.662
  224   2HG1  ILE  30          HG11      ILE  30 -10.651  -0.552  -0.785
  225   1HG2  ILE  30          HG22      ILE  30 -11.248   2.145   1.444
  226   2HG2  ILE  30          HG21      ILE  30 -10.146   0.854   0.982
  227   3HG2  ILE  30          HG23      ILE  30  -9.924   2.474   0.334
  228   1HD1  ILE  30           HD1      ILE  30 -12.161  -0.255   1.352
  229   2HD1  ILE  30           HD3      ILE  30 -13.476  -0.677   0.261
  230   3HD1  ILE  30           HD2      ILE  30 -12.151  -1.806   0.523
  231    H    LYS  31           HN       LYS  31 -13.513   3.585   1.532
  232    HA   LYS  31           HA       LYS  31 -13.675   5.988  -0.102
  233   1HB   LYS  31           HB2      LYS  31 -13.583   6.971   2.399
  234   2HB   LYS  31           HB1      LYS  31 -15.043   6.260   1.719
  235   1HG   LYS  31           HG2      LYS  31 -14.688   4.192   2.823
  236   2HG   LYS  31           HG1      LYS  31 -12.997   4.555   3.145
  237   1HD   LYS  31           HD2      LYS  31 -13.519   6.069   4.869
  238   2HD   LYS  31           HD1      LYS  31 -15.160   6.316   4.285
  239   1HE   LYS  31           HE2      LYS  31 -14.406   3.542   5.089
  240   2HE   LYS  31           HE1      LYS  31 -14.622   4.718   6.379
  241   1HZ   LYS  31           HZ1      LYS  31 -16.654   4.557   4.277
  242   2HZ   LYS  31           HZ3      LYS  31 -16.621   3.346   5.468
  243   3HZ   LYS  31           HZ2      LYS  31 -16.819   4.973   5.916
  244    H    GLY  32           HN       GLY  32 -12.078   7.367  -0.596
  245   1HA   GLY  32           HA2      GLY  32  -9.369   6.791   0.425
  246   2HA   GLY  32           HA1      GLY  32  -9.760   7.894  -0.892
  247    H    THR  33           HN       THR  33  -8.863   7.680   2.329
  248    HA   THR  33           HA       THR  33  -9.985  10.331   3.046
  249    HB   THR  33           HB       THR  33  -9.048   9.812   5.325
  250    HG1  THR  33           HG1      THR  33  -8.463   7.253   4.401
  251   1HG2  THR  33          HG23      THR  33 -10.543   7.495   4.030
  252   2HG2  THR  33          HG22      THR  33 -10.360   7.729   5.765
  253   3HG2  THR  33          HG21      THR  33 -11.299   8.877   4.816
  254    H    GLY  34           HN       GLY  34  -7.344   9.185   1.456
  255   1HA   GLY  34           HA2      GLY  34  -5.164  10.619   2.595
  256   2HA   GLY  34           HA1      GLY  34  -5.271  10.138   0.904
  257    H    VAL  35           HN       VAL  35  -4.144  12.278   0.679
  258    HA   VAL  35           HA       VAL  35  -5.731  14.690   1.118
  259    HB   VAL  35           HB       VAL  35  -3.267  14.418  -0.613
  260   1HG1  VAL  35          HG11      VAL  35  -4.709  16.552  -0.560
  261   2HG1  VAL  35          HG13      VAL  35  -4.183  16.732   1.110
  262   3HG1  VAL  35          HG12      VAL  35  -2.999  16.754  -0.192
  263   1HG2  VAL  35          HG23      VAL  35  -3.526  14.730   2.395
  264   2HG2  VAL  35          HG22      VAL  35  -2.735  13.413   1.536
  265   3HG2  VAL  35          HG21      VAL  35  -2.036  15.029   1.507
  266    H    GLY  36           HN       GLY  36  -7.540  14.865  -0.089
  267   1HA   GLY  36           HA2      GLY  36  -8.732  15.395  -2.068
  268   2HA   GLY  36           HA1      GLY  36  -7.245  15.162  -2.983
  269    H    GLY  37           HN       GLY  37  -9.203  13.054  -0.882
  270   1HA   GLY  37           HA2      GLY  37  -9.921  10.841  -1.237
  271   2HA   GLY  37           HA1      GLY  37 -10.354  11.424  -2.842
  272    NH1  ARG  38           NH1      ARG  38  -0.086  10.992  -4.646
  273    NH2  ARG  38           NH2      ARG  38  -1.216  12.622  -5.780
  274    H    ARG  38           HN       ARG  38  -7.119  11.217  -1.439
  275    HA   ARG  38           HA       ARG  38  -6.226   9.692  -3.795
  276   1HB   ARG  38           HB2      ARG  38  -4.825  11.519  -2.945
  277   2HB   ARG  38           HB1      ARG  38  -4.697  10.712  -1.386
  278   1HG   ARG  38           HG2      ARG  38  -3.407   8.936  -2.280
  279   2HG   ARG  38           HG1      ARG  38  -3.886   9.306  -3.934
  280   1HD   ARG  38           HD2      ARG  38  -2.497  11.491  -2.465
  281   2HD   ARG  38           HD1      ARG  38  -1.510  10.091  -2.883
  282    HE   ARG  38           HE       ARG  38  -3.119  11.081  -5.115
  283   1HH1  ARG  38          HH11      ARG  38  -0.111  10.197  -4.040
  284   2HH1  ARG  38          HH12      ARG  38   0.789  11.335  -4.985
  285   1HH2  ARG  38          HH21      ARG  38  -2.087  13.049  -6.025
  286   2HH2  ARG  38          HH22      ARG  38  -0.360  12.992  -6.139
  287    H    LEU  39           HN       LEU  39  -6.933   7.605  -3.649
  288    HA   LEU  39           HA       LEU  39  -7.104   6.066  -1.261
  289   1HB   LEU  39           HB2      LEU  39  -8.251   5.378  -3.305
  290   2HB   LEU  39           HB1      LEU  39  -6.716   5.186  -4.139
  291    HG   LEU  39           HG       LEU  39  -6.084   3.348  -2.638
  292   1HD1  LEU  39          HD12      LEU  39  -8.586   4.226  -1.211
  293   2HD1  LEU  39          HD11      LEU  39  -8.068   2.547  -1.099
  294   3HD1  LEU  39          HD13      LEU  39  -7.008   3.834  -0.535
  295   1HD2  LEU  39          HD21      LEU  39  -7.618   2.970  -4.649
  296   2HD2  LEU  39          HD23      LEU  39  -7.654   1.713  -3.417
  297   3HD2  LEU  39          HD22      LEU  39  -8.952   2.901  -3.502
  298    H    THR  40           HN       THR  40  -5.633   4.933  -0.117
  299    HA   THR  40           HA       THR  40  -2.866   4.684  -1.238
  300    HB   THR  40           HB       THR  40  -1.987   5.152   1.049
  301    HG1  THR  40           HG1      THR  40  -4.225   4.320   1.770
  302   1HG2  THR  40          HG23      THR  40  -2.921   7.079  -0.614
  303   2HG2  THR  40          HG22      THR  40  -4.042   7.302   0.726
  304   3HG2  THR  40          HG21      THR  40  -2.308   7.459   0.993
  305    NH1  ARG  41           NH1      ARG  41   1.274   1.924   2.232
  306    NH2  ARG  41           NH2      ARG  41   2.268   0.103   3.189
  307    H    ARG  41           HN       ARG  41  -2.588   3.550   1.723
  308    HA   ARG  41           HA       ARG  41  -3.549   0.794   1.036
  309   1HB   ARG  41           HB2      ARG  41  -0.962   1.412   0.986
  310   2HB   ARG  41           HB1      ARG  41  -1.115   1.173   2.723
  311   1HG   ARG  41           HG2      ARG  41  -2.253  -1.049   2.196
  312   2HG   ARG  41           HG1      ARG  41  -1.752  -0.815   0.525
  313   1HD   ARG  41           HD2      ARG  41  -0.034  -1.245   2.965
  314   2HD   ARG  41           HD1      ARG  41   0.035  -2.066   1.407
  315    HE   ARG  41           HE       ARG  41   1.122  -0.081   0.474
  316   1HH1  ARG  41          HH11      ARG  41   0.668   2.300   1.530
  317   2HH1  ARG  41          HH12      ARG  41   1.718   2.535   2.887
  318   1HH2  ARG  41          HH21      ARG  41   2.407  -0.887   3.205
  319   2HH2  ARG  41          HH22      ARG  41   2.729   0.683   3.861
  320    H    GLU  42           HN       GLU  42  -3.336   3.317   3.342
  321    HA   GLU  42           HA       GLU  42  -3.945   1.634   5.660
  322   1HB   GLU  42           HB2      GLU  42  -3.819   4.615   5.206
  323   2HB   GLU  42           HB1      GLU  42  -4.366   3.931   6.733
  324   1HG   GLU  42           HG2      GLU  42  -1.831   2.828   5.618
  325   2HG   GLU  42           HG1      GLU  42  -1.766   4.474   6.242
  326    H    ASP  43           HN       ASP  43  -5.735   1.738   3.225
  327    HA   ASP  43           HA       ASP  43  -8.275   2.312   4.703
  328   1HB   ASP  43           HB2      ASP  43  -7.639   2.935   1.807
  329   2HB   ASP  43           HB1      ASP  43  -9.248   3.045   2.514
  330    H    VAL  44           HN       VAL  44  -6.589   0.416   2.284
  331    HA   VAL  44           HA       VAL  44  -8.901  -1.371   1.902
  332    HB   VAL  44           HB       VAL  44  -6.063  -1.550   0.854
  333   1HG1  VAL  44          HG12      VAL  44  -8.588  -3.138   0.336
  334   2HG1  VAL  44          HG11      VAL  44  -7.272  -3.082  -0.835
  335   3HG1  VAL  44          HG13      VAL  44  -6.994  -3.746   0.772
  336   1HG2  VAL  44          HG21      VAL  44  -7.996   0.301   0.206
  337   2HG2  VAL  44          HG23      VAL  44  -6.722  -0.230  -0.887
  338   3HG2  VAL  44          HG22      VAL  44  -8.315  -0.975  -0.966
  339    H    GLU  45           HN       GLU  45  -6.333  -1.070   4.066
  340    HA   GLU  45           HA       GLU  45  -5.594  -3.756   4.585
  341   1HB   GLU  45           HB2      GLU  45  -5.130  -1.245   5.760
  342   2HB   GLU  45           HB1      GLU  45  -5.820  -2.238   7.039
  343   1HG   GLU  45           HG2      GLU  45  -4.155  -4.009   6.564
  344   2HG   GLU  45           HG1      GLU  45  -3.466  -3.017   5.282
  345    H    LYS  46           HN       LYS  46  -7.999  -1.827   6.374
  346    HA   LYS  46           HA       LYS  46  -9.062  -4.019   7.851
  347   1HB   LYS  46           HB2      LYS  46 -10.455  -1.468   6.996
  348   2HB   LYS  46           HB1      LYS  46 -10.985  -2.543   8.285
  349   1HG   LYS  46           HG2      LYS  46  -8.565  -2.184   9.230
  350   2HG   LYS  46           HG1      LYS  46  -8.555  -0.765   8.190
  351   1HD   LYS  46           HD2      LYS  46  -9.507   0.219  10.037
  352   2HD   LYS  46           HD1      LYS  46 -10.981  -0.446   9.341
  353   1HE   LYS  46           HE2      LYS  46  -9.307  -1.548  11.601
  354   2HE   LYS  46           HE1      LYS  46 -11.030  -1.193  11.589
  355   1HZ   LYS  46           HZ2      LYS  46 -10.037  -3.180   9.693
  356   2HZ   LYS  46           HZ1      LYS  46 -10.121  -3.624  11.330
  357   3HZ   LYS  46           HZ3      LYS  46 -11.520  -3.109  10.516
  358    H    HIS  47           HN       HIS  47  -9.110  -3.591   4.591
  359    HA   HIS  47           HA       HIS  47 -11.803  -4.798   4.211
  360   1HB   HIS  47           HB2      HIS  47 -10.705  -2.814   2.818
  361   2HB   HIS  47           HB1      HIS  47 -10.007  -4.156   1.913
  362    HD1  HIS  47           HD1      HIS  47 -13.360  -2.995   2.984
  363    HD2  HIS  47           HD2      HIS  47 -11.716  -5.353   0.122
  364    HE1  HIS  47           HE1      HIS  47 -15.210  -3.594   1.531
  365    H    LEU  48           HN       LEU  48  -8.437  -5.341   3.186
  366    HA   LEU  48           HA       LEU  48  -8.768  -7.832   1.937
  367   1HB   LEU  48           HB2      LEU  48  -6.521  -6.509   3.384
  368   2HB   LEU  48           HB1      LEU  48  -6.360  -8.223   3.021
  369    HG   LEU  48           HG       LEU  48  -7.292  -6.347   0.864
  370   1HD1  LEU  48          HD13      LEU  48  -4.418  -6.804   1.739
  371   2HD1  LEU  48          HD12      LEU  48  -4.887  -6.053   0.217
  372   3HD1  LEU  48          HD11      LEU  48  -5.278  -5.268   1.744
  373   1HD2  LEU  48          HD22      LEU  48  -7.023  -9.023   0.914
  374   2HD2  LEU  48          HD21      LEU  48  -6.696  -8.086  -0.541
  375   3HD2  LEU  48          HD23      LEU  48  -5.366  -8.602   0.491
  376    H    ALA  49           HN       ALA  49  -7.128  -7.841   5.046
  377    HA   ALA  49           HA       ALA  49  -7.933 -10.444   5.773
  378   1HB   ALA  49           HB3      ALA  49  -7.179  -8.086   7.515
  379   2HB   ALA  49           HB2      ALA  49  -7.362  -9.729   8.123
  380   3HB   ALA  49           HB1      ALA  49  -6.112  -9.363   6.937
  381    H    LYS  50           HN       LYS  50  -9.278 -10.907   7.814
  382    HA   LYS  50           HA       LYS  50 -11.631  -9.141   8.097
  383   1HB   LYS  50           HB2      LYS  50 -12.058 -10.735   6.165
  384   2HB   LYS  50           HB1      LYS  50 -11.997 -12.045   7.338
  385   1HG   LYS  50           HG2      LYS  50 -13.815 -10.953   8.632
  386   2HG   LYS  50           HG1      LYS  50 -13.887  -9.668   7.431
  387   1HD   LYS  50           HD2      LYS  50 -14.605 -11.190   5.716
  388   2HD   LYS  50           HD1      LYS  50 -14.236 -12.592   6.715
  389   1HE   LYS  50           HE2      LYS  50 -16.150 -12.371   7.971
  390   2HE   LYS  50           HE1      LYS  50 -16.137 -10.615   7.872
  391   1HZ   LYS  50           HZ1      LYS  50 -16.637 -12.114   5.415
  392   2HZ   LYS  50           HZ3      LYS  50 -17.879 -12.057   6.573
  393   3HZ   LYS  50           HZ2      LYS  50 -17.259 -10.617   5.921
  394    H    ALA  51           HN       ALA  51  -9.807 -11.959   9.071
  395    HA   ALA  51           HA       ALA  51 -10.636 -11.504  11.862
  396   1HB   ALA  51           HB2      ALA  51 -12.181 -13.235  10.525
  397   2HB   ALA  51           HB1      ALA  51 -10.874 -14.333  10.955
  398   3HB   ALA  51           HB3      ALA  51 -11.760 -13.483  12.217
   
 Raw file had 398 H/Q atoms
  Start of MODEL   20
    1    OH   TYR   1           OH       TYR   1  17.807   0.080  10.223
    2   1H    TYR   1           HT1      TYR   1  20.292   2.793   4.945
    3   2H    TYR   1           HT3      TYR   1  19.781   1.584   6.022
    4   3H    TYR   1           HT2      TYR   1  20.786   2.839   6.569
    5    HA   TYR   1           HA       TYR   1  22.650   1.899   5.797
    6   1HB   TYR   1           HB2      TYR   1  21.374  -0.706   5.291
    7   2HB   TYR   1           HB1      TYR   1  22.630  -0.278   6.450
    8    HD1  TYR   1           HD2      TYR   1  21.576   1.611   8.238
    9    HD2  TYR   1           HD1      TYR   1  19.461  -1.555   6.339
   10    HE1  TYR   1           HE2      TYR   1  19.912   1.643  10.038
   11    HE2  TYR   1           HE1      TYR   1  17.798  -1.523   8.139
   12    HH   TYR   1           HH       TYR   1  17.585   0.996  10.405
   13    H    ALA   2           HN       ALA   2  20.244   2.379   3.657
   14    HA   ALA   2           HA       ALA   2  21.989   1.572   1.389
   15   1HB   ALA   2           HB1      ALA   2  19.110   0.755   1.784
   16   2HB   ALA   2           HB3      ALA   2  19.862   0.780   0.192
   17   3HB   ALA   2           HB2      ALA   2  20.496  -0.277   1.449
   18    H    SER   3           HN       SER   3  20.477   3.979   2.897
   19    HA   SER   3           HA       SER   3  20.541   5.725   0.589
   20   1HB   SER   3           HB2      SER   3  17.893   4.673   1.556
   21   2HB   SER   3           HB1      SER   3  18.002   6.313   0.888
   22    HG   SER   3           HG1      SER   3  18.393   3.855  -0.332
   23    H    LEU   4           HN       LEU   4  19.360   7.904   1.259
   24    HA   LEU   4           HA       LEU   4  20.559   8.638   3.842
   25   1HB   LEU   4           HB2      LEU   4  19.033  10.335   1.848
   26   2HB   LEU   4           HB1      LEU   4  19.984  10.935   3.202
   27    HG   LEU   4           HG       LEU   4  21.787   9.277   1.937
   28   1HD1  LEU   4          HD11      LEU   4  20.199   8.961   0.050
   29   2HD1  LEU   4          HD13      LEU   4  20.145  10.705  -0.186
   30   3HD1  LEU   4          HD12      LEU   4  21.644   9.825  -0.467
   31   1HD2  LEU   4          HD21      LEU   4  21.270  12.231   1.438
   32   2HD2  LEU   4          HD23      LEU   4  22.211  11.563   2.767
   33   3HD2  LEU   4          HD22      LEU   4  22.787  11.399   1.112
   34    H    GLU   5           HN       GLU   5  17.346   9.114   2.373
   35    HA   GLU   5           HA       GLU   5  16.169   9.496   5.044
   36   1HB   GLU   5           HB2      GLU   5  15.077   9.606   2.234
   37   2HB   GLU   5           HB1      GLU   5  14.024   9.696   3.641
   38   1HG   GLU   5           HG2      GLU   5  15.044  11.709   4.409
   39   2HG   GLU   5           HG1      GLU   5  16.432  11.504   3.345
   40    H    GLU   6           HN       GLU   6  16.814   7.257   5.680
   41    HA   GLU   6           HA       GLU   6  15.928   4.866   4.592
   42   1HB   GLU   6           HB2      GLU   6  17.235   5.228   6.757
   43   2HB   GLU   6           HB1      GLU   6  15.678   5.461   7.543
   44   1HG   GLU   6           HG2      GLU   6  15.080   3.189   6.301
   45   2HG   GLU   6           HG1      GLU   6  16.828   2.976   6.319
   46    H    GLN   7           HN       GLN   7  14.032   3.699   4.552
   47    HA   GLN   7           HA       GLN   7  11.576   5.025   4.318
   48   1HB   GLN   7           HB2      GLN   7  12.012   2.161   5.203
   49   2HB   GLN   7           HB1      GLN   7  10.521   2.810   4.532
   50   1HG   GLN   7           HG2      GLN   7  12.065   3.569   2.541
   51   2HG   GLN   7           HG1      GLN   7  13.161   2.337   3.162
   52   1HE2  GLN   7          HE22      GLN   7  11.238  -0.354   1.949
   53   2HE2  GLN   7          HE21      GLN   7  12.637   0.146   2.770
   54    H    ASN   8           HN       ASN   8  10.372   6.065   5.767
   55    HA   ASN   8           HA       ASN   8  10.736   5.446   8.652
   56   1HB   ASN   8           HB2      ASN   8   9.407   7.590   8.945
   57   2HB   ASN   8           HB1      ASN   8  10.963   7.783   8.142
   58   1HD2  ASN   8          HD22      ASN   8   9.466   9.211   5.316
   59   2HD2  ASN   8          HD21      ASN   8  10.814   9.093   6.340
   60    H    ASN   9           HN       ASN   9   8.338   6.318   9.665
   61    HA   ASN   9           HA       ASN   9   6.690   4.030   9.515
   62   1HB   ASN   9           HB2      ASN   9   5.164   5.203  10.863
   63   2HB   ASN   9           HB1      ASN   9   6.692   6.004  11.218
   64   1HD2  ASN   9          HD22      ASN   9   3.699   8.083   9.478
   65   2HD2  ASN   9          HD21      ASN   9   3.504   6.476   9.986
   66    H    ASP  10           HN       ASP  10   6.498   7.077   7.738
   67    HA   ASP  10           HA       ASP  10   4.155   6.103   6.221
   68   1HB   ASP  10           HB2      ASP  10   4.157   8.449   6.885
   69   2HB   ASP  10           HB1      ASP  10   5.707   8.702   6.089
   70    H    ALA  11           HN       ALA  11   4.326   5.088   4.318
   71    HA   ALA  11           HA       ALA  11   6.165   5.729   2.253
   72   1HB   ALA  11           HB2      ALA  11   7.145   3.815   4.302
   73   2HB   ALA  11           HB1      ALA  11   7.434   3.376   2.622
   74   3HB   ALA  11           HB3      ALA  11   8.053   4.899   3.252
   75    H    LEU  12           HN       LEU  12   5.776   4.546   0.392
   76    HA   LEU  12           HA       LEU  12   3.724   2.372   0.623
   77   1HB   LEU  12           HB2      LEU  12   4.017   4.450  -1.562
   78   2HB   LEU  12           HB1      LEU  12   2.823   3.160  -1.540
   79    HG   LEU  12           HG       LEU  12   3.000   4.995   0.833
   80   1HD1  LEU  12          HD13      LEU  12   1.771   5.640  -1.862
   81   2HD1  LEU  12          HD12      LEU  12   1.275   6.442  -0.375
   82   3HD1  LEU  12          HD11      LEU  12   2.930   6.604  -0.952
   83   1HD2  LEU  12          HD23      LEU  12   1.456   2.847   0.334
   84   2HD2  LEU  12          HD22      LEU  12   0.860   4.223   1.256
   85   3HD2  LEU  12          HD21      LEU  12   0.465   4.071  -0.454
   86    H    SER  13           HN       SER  13   3.657   1.279  -1.755
   87    HA   SER  13           HA       SER  13   6.419   0.862  -2.718
   88   1HB   SER  13           HB2      SER  13   5.058  -0.974  -0.976
   89   2HB   SER  13           HB1      SER  13   5.299  -1.741  -2.558
   90    HG   SER  13           HG1      SER  13   7.192  -1.939  -1.356
   91    HA   PRO  14           HA       PRO  14   4.619   0.477  -6.710
   92   1HB   PRO  14           HB2      PRO  14   5.840  -1.971  -7.532
   93   2HB   PRO  14           HB1      PRO  14   6.354  -0.328  -7.918
   94   1HG   PRO  14           HG2      PRO  14   7.576  -2.217  -6.048
   95   2HG   PRO  14           HG1      PRO  14   8.187  -0.645  -6.567
   96   1HD   PRO  14           HD1      PRO  14   7.082  -1.287  -4.014
   97   2HD   PRO  14           HD2      PRO  14   7.517   0.322  -4.615
   98    H    ALA  15           HN       ALA  15   4.811  -2.604  -4.968
   99    HA   ALA  15           HA       ALA  15   2.851  -4.079  -6.317
  100   1HB   ALA  15           HB2      ALA  15   4.342  -4.641  -4.213
  101   2HB   ALA  15           HB1      ALA  15   2.904  -4.151  -3.322
  102   3HB   ALA  15           HB3      ALA  15   2.817  -5.485  -4.467
  103    H    ILE  16           HN       ILE  16   2.433  -1.495  -3.978
  104    HA   ILE  16           HA       ILE  16  -0.253  -1.763  -3.279
  105    HB   ILE  16           HB       ILE  16   1.448   0.096  -2.659
  106   1HG1  ILE  16          HG12      ILE  16  -1.473   0.731  -3.217
  107   2HG1  ILE  16          HG11      ILE  16  -0.847  -0.034  -1.760
  108   1HG2  ILE  16          HG23      ILE  16   1.501   0.733  -5.208
  109   2HG2  ILE  16          HG22      ILE  16   0.027   1.618  -4.830
  110   3HG2  ILE  16          HG21      ILE  16   1.528   2.016  -4.003
  111   1HD1  ILE  16           HD3      ILE  16   0.720   2.158  -1.788
  112   2HD1  ILE  16           HD2      ILE  16  -0.681   2.815  -2.626
  113   3HD1  ILE  16           HD1      ILE  16  -0.857   2.145  -1.007
  114    NH1  ARG  17           NH1      ARG  17   2.561   4.817  -9.802
  115    NH2  ARG  17           NH2      ARG  17   2.326   3.664 -11.760
  116    H    ARG  17           HN       ARG  17   1.040  -1.235  -6.395
  117    HA   ARG  17           HA       ARG  17  -1.492  -0.147  -7.468
  118   1HB   ARG  17           HB2      ARG  17   1.261  -0.601  -8.552
  119   2HB   ARG  17           HB1      ARG  17  -0.083  -0.471  -9.680
  120   1HG   ARG  17           HG2      ARG  17  -0.630   1.723  -8.948
  121   2HG   ARG  17           HG1      ARG  17   0.324   1.560  -7.479
  122   1HD   ARG  17           HD2      ARG  17   2.269   2.112  -8.541
  123   2HD   ARG  17           HD1      ARG  17   1.862   1.167  -9.972
  124    HE   ARG  17           HE       ARG  17   0.141   3.384 -10.014
  125   1HH1  ARG  17          HH11      ARG  17   2.287   4.953  -8.850
  126   2HH1  ARG  17          HH12      ARG  17   3.265   5.402 -10.207
  127   1HH2  ARG  17          HH21      ARG  17   1.876   2.935 -12.275
  128   2HH2  ARG  17          HH22      ARG  17   3.025   4.228 -12.198
  129    NH1  ARG  18           NH1      ARG  18   3.565  -2.899 -11.016
  130    NH2  ARG  18           NH2      ARG  18   5.413  -4.187 -10.637
  131    H    ARG  18           HN       ARG  18   0.463  -3.083  -7.649
  132    HA   ARG  18           HA       ARG  18  -1.546  -4.391  -9.370
  133   1HB   ARG  18           HB2      ARG  18   1.045  -5.382  -8.157
  134   2HB   ARG  18           HB1      ARG  18   0.017  -6.347  -9.210
  135   1HG   ARG  18           HG2      ARG  18   0.270  -4.706 -11.014
  136   2HG   ARG  18           HG1      ARG  18   1.214  -3.659  -9.961
  137   1HD   ARG  18           HD2      ARG  18   2.146  -6.483 -10.256
  138   2HD   ARG  18           HD1      ARG  18   2.386  -5.408 -11.633
  139    HE   ARG  18           HE       ARG  18   3.610  -5.066  -8.948
  140   1HH1  ARG  18          HH11      ARG  18   2.581  -2.759 -10.905
  141   2HH1  ARG  18          HH12      ARG  18   4.113  -2.225 -11.511
  142   1HH2  ARG  18          HH21      ARG  18   5.815  -5.013 -10.240
  143   2HH2  ARG  18          HH22      ARG  18   5.993  -3.534 -11.125
  144    H    LEU  19           HN       LEU  19  -1.796  -3.577  -6.367
  145    HA   LEU  19           HA       LEU  19  -2.390  -6.196  -5.150
  146   1HB   LEU  19           HB2      LEU  19  -1.381  -4.182  -3.918
  147   2HB   LEU  19           HB1      LEU  19  -2.996  -3.487  -3.966
  148    HG   LEU  19           HG       LEU  19  -3.607  -5.967  -3.066
  149   1HD1  LEU  19          HD13      LEU  19  -1.131  -6.535  -3.087
  150   2HD1  LEU  19          HD12      LEU  19  -0.916  -5.341  -1.811
  151   3HD1  LEU  19          HD11      LEU  19  -1.918  -6.760  -1.528
  152   1HD2  LEU  19          HD21      LEU  19  -2.727  -3.492  -1.563
  153   2HD2  LEU  19          HD23      LEU  19  -4.368  -4.039  -1.892
  154   3HD2  LEU  19          HD22      LEU  19  -3.372  -4.898  -0.722
  155    H    LEU  20           HN       LEU  20  -4.059  -3.523  -6.628
  156    HA   LEU  20           HA       LEU  20  -6.702  -4.234  -5.683
  157   1HB   LEU  20           HB2      LEU  20  -5.709  -2.519  -7.961
  158   2HB   LEU  20           HB1      LEU  20  -7.424  -2.762  -7.647
  159    HG   LEU  20           HG       LEU  20  -5.681  -1.980  -5.341
  160   1HD1  LEU  20          HD13      LEU  20  -6.632  -0.088  -7.520
  161   2HD1  LEU  20          HD12      LEU  20  -5.998   0.423  -5.960
  162   3HD1  LEU  20          HD11      LEU  20  -4.957  -0.428  -7.097
  163   1HD2  LEU  20          HD23      LEU  20  -8.274  -2.496  -5.457
  164   2HD2  LEU  20          HD22      LEU  20  -7.692  -1.154  -4.475
  165   3HD2  LEU  20          HD21      LEU  20  -8.370  -0.849  -6.072
  166    H    ALA  21           HN       ALA  21  -4.720  -5.151  -8.412
  167    HA   ALA  21           HA       ALA  21  -6.885  -6.483  -9.842
  168   1HB   ALA  21           HB1      ALA  21  -4.480  -5.579 -10.634
  169   2HB   ALA  21           HB3      ALA  21  -4.060  -7.263 -10.341
  170   3HB   ALA  21           HB2      ALA  21  -5.332  -6.860 -11.490
  171    H    GLU  22           HN       GLU  22  -4.105  -7.585  -7.922
  172    HA   GLU  22           HA       GLU  22  -4.416 -10.338  -8.064
  173   1HB   GLU  22           HB2      GLU  22  -2.619  -9.397  -6.765
  174   2HB   GLU  22           HB1      GLU  22  -3.750  -8.633  -5.655
  175   1HG   GLU  22           HG2      GLU  22  -4.394 -10.703  -4.701
  176   2HG   GLU  22           HG1      GLU  22  -3.759 -11.627  -6.061
  177    H    HIS  23           HN       HIS  23  -6.187  -8.124  -5.933
  178    HA   HIS  23           HA       HIS  23  -7.953 -10.350  -5.091
  179   1HB   HIS  23           HB2      HIS  23  -8.033  -7.451  -4.226
  180   2HB   HIS  23           HB1      HIS  23  -8.810  -8.816  -3.431
  181    HD1  HIS  23           HD1      HIS  23  -6.699 -10.734  -3.081
  182    HD2  HIS  23           HD2      HIS  23  -5.818  -6.783  -2.790
  183    HE1  HIS  23           HE1      HIS  23  -4.639 -10.646  -1.801
  184    H    ASN  24           HN       ASN  24  -7.826  -7.917  -7.428
  185    HA   ASN  24           HA       ASN  24  -9.436  -7.040  -8.903
  186   1HB   ASN  24           HB2      ASN  24 -10.605  -9.744  -8.220
  187   2HB   ASN  24           HB1      ASN  24 -11.283  -8.692  -9.460
  188   1HD2  ASN  24          HD22      ASN  24  -8.475  -9.096 -11.677
  189   2HD2  ASN  24          HD21      ASN  24  -9.672  -7.984 -11.213
  190    H    LEU  25           HN       LEU  25  -9.661  -6.007  -6.350
  191    HA   LEU  25           HA       LEU  25 -12.546  -6.100  -5.669
  192   1HB   LEU  25           HB2      LEU  25 -10.062  -5.187  -4.293
  193   2HB   LEU  25           HB1      LEU  25 -11.569  -4.388  -3.861
  194    HG   LEU  25           HG       LEU  25 -11.480  -7.393  -4.009
  195   1HD1  LEU  25          HD13      LEU  25 -10.598  -5.685  -1.654
  196   2HD1  LEU  25          HD12      LEU  25 -10.857  -7.426  -1.601
  197   3HD1  LEU  25          HD11      LEU  25  -9.563  -6.758  -2.591
  198   1HD2  LEU  25          HD23      LEU  25 -13.512  -5.670  -3.576
  199   2HD2  LEU  25          HD22      LEU  25 -13.446  -7.253  -2.808
  200   3HD2  LEU  25          HD21      LEU  25 -12.926  -5.824  -1.923
  201    H    ASP  26           HN       ASP  26 -13.810  -4.181  -5.544
  202    HA   ASP  26           HA       ASP  26 -13.025  -2.181  -7.581
  203   1HB   ASP  26           HB2      ASP  26 -15.628  -2.681  -6.114
  204   2HB   ASP  26           HB1      ASP  26 -15.399  -1.400  -7.302
  205    H    ALA  27           HN       ALA  27 -11.429  -1.062  -6.364
  206    HA   ALA  27           HA       ALA  27 -11.590  -0.024  -3.792
  207   1HB   ALA  27           HB3      ALA  27 -10.171   0.676  -6.243
  208   2HB   ALA  27           HB2      ALA  27 -10.499   2.087  -5.242
  209   3HB   ALA  27           HB1      ALA  27  -9.607   0.723  -4.575
  210    H    SER  28           HN       SER  28 -13.519   0.805  -6.507
  211    HA   SER  28           HA       SER  28 -14.310   3.438  -6.007
  212   1HB   SER  28           HB2      SER  28 -15.244   1.353  -7.615
  213   2HB   SER  28           HB1      SER  28 -16.632   1.777  -6.595
  214    HG   SER  28           HG1      SER  28 -15.011   3.499  -8.162
  215    H    ALA  29           HN       ALA  29 -15.229   0.511  -4.305
  216    HA   ALA  29           HA       ALA  29 -17.275   1.801  -2.692
  217   1HB   ALA  29           HB1      ALA  29 -16.863  -0.753  -3.242
  218   2HB   ALA  29           HB3      ALA  29 -15.865  -0.682  -1.792
  219   3HB   ALA  29           HB2      ALA  29 -17.577  -0.278  -1.704
  220    H    ILE  30           HN       ILE  30 -13.869   0.989  -2.262
  221    HA   ILE  30           HA       ILE  30 -13.752   1.847   0.499
  222    HB   ILE  30           HB       ILE  30 -11.488   1.669  -1.510
  223   1HG1  ILE  30          HG12      ILE  30 -12.667  -0.455  -1.496
  224   2HG1  ILE  30          HG11      ILE  30 -11.183  -0.652  -0.577
  225   1HG2  ILE  30          HG21      ILE  30 -11.644   2.294   1.341
  226   2HG2  ILE  30          HG23      ILE  30 -10.604   0.909   1.036
  227   3HG2  ILE  30          HG22      ILE  30 -10.281   2.443   0.240
  228   1HD1  ILE  30           HD1      ILE  30 -12.704  -0.009   1.484
  229   2HD1  ILE  30           HD3      ILE  30 -14.021  -0.483   0.421
  230   3HD1  ILE  30           HD2      ILE  30 -12.769  -1.645   0.843
  231    H    LYS  31           HN       LYS  31 -13.538   3.850   1.306
  232    HA   LYS  31           HA       LYS  31 -13.438   6.110  -0.594
  233   1HB   LYS  31           HB2      LYS  31 -13.674   7.386   1.696
  234   2HB   LYS  31           HB1      LYS  31 -15.058   6.531   1.023
  235   1HG   LYS  31           HG2      LYS  31 -14.706   4.643   2.460
  236   2HG   LYS  31           HG1      LYS  31 -13.118   5.224   2.946
  237   1HD   LYS  31           HD2      LYS  31 -14.170   7.186   4.031
  238   2HD   LYS  31           HD1      LYS  31 -15.757   6.601   3.548
  239   1HE   LYS  31           HE2      LYS  31 -13.819   5.027   5.272
  240   2HE   LYS  31           HE1      LYS  31 -15.143   5.992   5.912
  241   1HZ   LYS  31           HZ1      LYS  31 -16.677   4.636   4.587
  242   2HZ   LYS  31           HZ3      LYS  31 -15.376   3.664   4.088
  243   3HZ   LYS  31           HZ2      LYS  31 -15.817   3.719   5.728
  244    H    GLY  32           HN       GLY  32 -11.558   7.016  -1.126
  245   1HA   GLY  32           HA2      GLY  32  -9.137   6.444   0.424
  246   2HA   GLY  32           HA1      GLY  32  -9.213   7.380  -1.067
  247    H    THR  33           HN       THR  33  -9.781   7.504   2.408
  248    HA   THR  33           HA       THR  33 -10.298  10.352   2.482
  249    HB   THR  33           HB       THR  33 -10.140  10.097   4.922
  250    HG1  THR  33           HG1      THR  33  -8.684   8.717   5.595
  251   1HG2  THR  33          HG23      THR  33 -11.794   8.450   3.341
  252   2HG2  THR  33          HG22      THR  33 -11.046   7.351   4.495
  253   3HG2  THR  33          HG21      THR  33 -11.973   8.734   5.070
  254    H    GLY  34           HN       GLY  34  -7.613   8.828   1.542
  255   1HA   GLY  34           HA2      GLY  34  -5.526  10.093   3.053
  256   2HA   GLY  34           HA1      GLY  34  -5.341   9.418   1.437
  257    H    VAL  35           HN       VAL  35  -4.006  11.718   2.097
  258    HA   VAL  35           HA       VAL  35  -5.283  14.182   1.625
  259    HB   VAL  35           HB       VAL  35  -2.512  13.325   0.748
  260   1HG1  VAL  35          HG11      VAL  35  -3.819  16.042   1.097
  261   2HG1  VAL  35          HG13      VAL  35  -2.077  15.816   0.969
  262   3HG1  VAL  35          HG12      VAL  35  -3.124  15.379  -0.379
  263   1HG2  VAL  35          HG22      VAL  35  -3.636  13.547   3.319
  264   2HG2  VAL  35          HG21      VAL  35  -1.921  13.478   2.928
  265   3HG2  VAL  35          HG23      VAL  35  -2.724  15.036   3.091
  266    H    GLY  36           HN       GLY  36  -5.735  15.381  -0.224
  267   1HA   GLY  36           HA2      GLY  36  -6.320  15.730  -2.471
  268   2HA   GLY  36           HA1      GLY  36  -5.079  14.551  -2.888
  269    H    GLY  37           HN       GLY  37  -7.013  13.040  -0.733
  270   1HA   GLY  37           HA2      GLY  37  -8.918  11.640  -0.921
  271   2HA   GLY  37           HA1      GLY  37  -9.225  12.330  -2.513
  272    NH1  ARG  38           NH1      ARG  38  -0.107   7.600  -3.609
  273    NH2  ARG  38           NH2      ARG  38  -1.086   5.914  -4.800
  274    H    ARG  38           HN       ARG  38  -6.025  11.390  -2.244
  275    HA   ARG  38           HA       ARG  38  -6.258   9.336  -4.221
  276   1HB   ARG  38           HB2      ARG  38  -4.193  10.777  -3.385
  277   2HB   ARG  38           HB1      ARG  38  -3.926   9.380  -2.349
  278   1HG   ARG  38           HG2      ARG  38  -3.981   7.903  -4.345
  279   2HG   ARG  38           HG1      ARG  38  -4.221   9.311  -5.374
  280   1HD   ARG  38           HD2      ARG  38  -2.049  10.115  -5.003
  281   2HD   ARG  38           HD1      ARG  38  -1.880   9.243  -3.480
  282    HE   ARG  38           HE       ARG  38  -1.710   7.974  -6.180
  283   1HH1  ARG  38          HH11      ARG  38  -0.013   8.579  -3.429
  284   2HH1  ARG  38          HH12      ARG  38   0.429   6.942  -3.081
  285   1HH2  ARG  38          HH21      ARG  38  -1.726   5.629  -5.515
  286   2HH2  ARG  38          HH22      ARG  38  -0.566   5.227  -4.292
  287    H    LEU  39           HN       LEU  39  -5.518   7.059  -3.893
  288    HA   LEU  39           HA       LEU  39  -6.949   5.920  -1.570
  289   1HB   LEU  39           HB2      LEU  39  -7.214   5.086  -3.973
  290   2HB   LEU  39           HB1      LEU  39  -5.603   4.397  -3.805
  291    HG   LEU  39           HG       LEU  39  -6.653   3.434  -1.540
  292   1HD1  LEU  39          HD13      LEU  39  -8.839   4.710  -2.254
  293   2HD1  LEU  39          HD12      LEU  39  -9.066   3.345  -3.342
  294   3HD1  LEU  39          HD11      LEU  39  -8.976   3.078  -1.603
  295   1HD2  LEU  39          HD23      LEU  39  -6.766   2.439  -4.371
  296   2HD2  LEU  39          HD22      LEU  39  -5.804   1.843  -3.022
  297   3HD2  LEU  39          HD21      LEU  39  -7.525   1.478  -3.107
  298    H    THR  40           HN       THR  40  -5.905   5.327   0.220
  299    HA   THR  40           HA       THR  40  -2.948   5.105   0.141
  300    HB   THR  40           HB       THR  40  -3.439   4.904   2.762
  301    HG1  THR  40           HG1      THR  40  -5.803   4.991   1.635
  302   1HG2  THR  40          HG21      THR  40  -3.806   7.380   1.043
  303   2HG2  THR  40          HG23      THR  40  -3.836   7.453   2.802
  304   3HG2  THR  40          HG22      THR  40  -2.377   6.927   1.967
  305    NH1  ARG  41           NH2      ARG  41   1.401  -1.715   4.681
  306    NH2  ARG  41           NH1      ARG  41   1.853  -3.705   3.652
  307    H    ARG  41           HN       ARG  41  -2.379   3.415   2.160
  308    HA   ARG  41           HA       ARG  41  -3.299   0.806   1.059
  309   1HB   ARG  41           HB2      ARG  41  -0.847   1.306   1.194
  310   2HB   ARG  41           HB1      ARG  41  -1.001   1.364   2.946
  311   1HG   ARG  41           HG2      ARG  41  -1.851  -0.961   2.949
  312   2HG   ARG  41           HG1      ARG  41  -1.701  -1.018   1.197
  313   1HD   ARG  41           HD2      ARG  41   0.648  -0.994   1.269
  314   2HD   ARG  41           HD1      ARG  41   0.686  -0.273   2.878
  315    HE   ARG  41           HE       ARG  41  -0.373  -3.039   2.582
  316   1HH1  ARG  41          HH21      ARG  41   0.866  -0.871   4.715
  317   2HH1  ARG  41          HH22      ARG  41   2.103  -1.891   5.371
  318   1HH2  ARG  41          HH11      ARG  41   1.657  -4.351   2.914
  319   2HH2  ARG  41          HH12      ARG  41   2.563  -3.913   4.324
  320    H    GLU  42           HN       GLU  42  -3.305   2.728   3.966
  321    HA   GLU  42           HA       GLU  42  -4.112   0.578   5.732
  322   1HB   GLU  42           HB2      GLU  42  -4.991   2.878   6.950
  323   2HB   GLU  42           HB1      GLU  42  -3.381   2.206   7.131
  324   1HG   GLU  42           HG2      GLU  42  -4.077   4.095   4.869
  325   2HG   GLU  42           HG1      GLU  42  -3.535   4.685   6.437
  326    H    ASP  43           HN       ASP  43  -5.670   2.083   3.240
  327    HA   ASP  43           HA       ASP  43  -8.355   1.953   4.512
  328   1HB   ASP  43           HB2      ASP  43  -7.298   3.147   1.959
  329   2HB   ASP  43           HB1      ASP  43  -9.025   2.872   2.175
  330    H    VAL  44           HN       VAL  44  -6.350   0.367   2.140
  331    HA   VAL  44           HA       VAL  44  -8.605  -1.362   1.286
  332    HB   VAL  44           HB       VAL  44  -5.728  -1.206   0.347
  333   1HG1  VAL  44          HG12      VAL  44  -8.082  -2.904  -0.528
  334   2HG1  VAL  44          HG11      VAL  44  -6.677  -2.629  -1.552
  335   3HG1  VAL  44          HG13      VAL  44  -6.494  -3.458  -0.009
  336   1HG2  VAL  44          HG21      VAL  44  -7.138   0.746  -0.251
  337   2HG2  VAL  44          HG23      VAL  44  -6.757  -0.217  -1.675
  338   3HG2  VAL  44          HG22      VAL  44  -8.348  -0.340  -0.929
  339    H    GLU  45           HN       GLU  45  -5.260  -1.833   2.430
  340    HA   GLU  45           HA       GLU  45  -5.343  -4.572   2.943
  341   1HB   GLU  45           HB2      GLU  45  -3.423  -2.847   3.293
  342   2HB   GLU  45           HB1      GLU  45  -4.064  -2.706   4.926
  343   1HG   GLU  45           HG2      GLU  45  -3.918  -5.234   5.101
  344   2HG   GLU  45           HG1      GLU  45  -3.052  -5.224   3.567
  345    H    LYS  46           HN       LYS  46  -6.261  -1.976   5.196
  346    HA   LYS  46           HA       LYS  46  -7.084  -3.611   7.349
  347   1HB   LYS  46           HB2      LYS  46  -6.944  -0.979   7.060
  348   2HB   LYS  46           HB1      LYS  46  -8.657  -1.152   6.695
  349   1HG   LYS  46           HG2      LYS  46  -8.753  -0.936   9.008
  350   2HG   LYS  46           HG1      LYS  46  -8.623  -2.685   8.867
  351   1HD   LYS  46           HD2      LYS  46  -6.026  -2.197   8.900
  352   2HD   LYS  46           HD1      LYS  46  -6.521  -0.688   9.661
  353   1HE   LYS  46           HE2      LYS  46  -6.783  -3.497  10.670
  354   2HE   LYS  46           HE1      LYS  46  -6.317  -2.040  11.539
  355   1HZ   LYS  46           HZ2      LYS  46  -8.816  -1.439  10.863
  356   2HZ   LYS  46           HZ1      LYS  46  -8.951  -3.125  11.019
  357   3HZ   LYS  46           HZ3      LYS  46  -8.391  -2.194  12.325
  358    H    HIS  47           HN       HIS  47  -8.610  -2.971   4.309
  359    HA   HIS  47           HA       HIS  47 -11.287  -3.747   5.052
  360   1HB   HIS  47           HB2      HIS  47 -10.467  -2.500   2.925
  361   2HB   HIS  47           HB1      HIS  47 -10.143  -4.112   2.290
  362    HD1  HIS  47           HD1      HIS  47 -13.034  -2.465   3.964
  363    HD2  HIS  47           HD2      HIS  47 -12.312  -5.166   1.024
  364    HE1  HIS  47           HE1      HIS  47 -15.226  -3.043   3.097
  365    H    LEU  48           HN       LEU  48  -8.435  -5.497   4.034
  366    HA   LEU  48           HA       LEU  48  -9.933  -8.025   3.767
  367   1HB   LEU  48           HB2      LEU  48  -7.027  -7.268   3.446
  368   2HB   LEU  48           HB1      LEU  48  -7.566  -8.944   3.398
  369    HG   LEU  48           HG       LEU  48  -9.057  -6.974   1.712
  370   1HD1  LEU  48          HD11      LEU  48  -6.268  -8.015   1.113
  371   2HD1  LEU  48          HD13      LEU  48  -7.341  -7.341  -0.110
  372   3HD1  LEU  48          HD12      LEU  48  -6.770  -6.330   1.214
  373   1HD2  LEU  48          HD22      LEU  48  -9.592  -9.446   1.926
  374   2HD2  LEU  48          HD21      LEU  48  -9.297  -8.907   0.276
  375   3HD2  LEU  48          HD23      LEU  48  -8.045  -9.781   1.154
  376    H    ALA  49           HN       ALA  49 -10.660  -7.838   6.067
  377    HA   ALA  49           HA       ALA  49  -8.837  -8.051   8.256
  378   1HB   ALA  49           HB3      ALA  49 -11.703  -8.265   7.832
  379   2HB   ALA  49           HB2      ALA  49 -11.142  -9.455   9.003
  380   3HB   ALA  49           HB1      ALA  49 -10.828  -7.743   9.269
  381    H    LYS  50           HN       LYS  50  -7.308  -9.598   8.288
  382    HA   LYS  50           HA       LYS  50  -8.199 -12.413   8.313
  383   1HB   LYS  50           HB2      LYS  50  -6.399 -13.054   6.677
  384   2HB   LYS  50           HB1      LYS  50  -7.711 -12.123   5.965
  385   1HG   LYS  50           HG2      LYS  50  -6.288 -10.472   5.374
  386   2HG   LYS  50           HG1      LYS  50  -5.697 -10.336   7.027
  387   1HD   LYS  50           HD2      LYS  50  -4.160 -12.230   6.644
  388   2HD   LYS  50           HD1      LYS  50  -4.765 -12.399   5.000
  389   1HE   LYS  50           HE2      LYS  50  -3.660  -9.762   5.961
  390   2HE   LYS  50           HE1      LYS  50  -2.579 -11.023   5.381
  391   1HZ   LYS  50           HZ3      LYS  50  -4.907 -10.200   3.777
  392   2HZ   LYS  50           HZ2      LYS  50  -3.466  -9.302   3.730
  393   3HZ   LYS  50           HZ1      LYS  50  -3.463 -10.936   3.270
  394    H    ALA  51           HN       ALA  51  -7.328 -10.948  10.454
  395    HA   ALA  51           HA       ALA  51  -4.937 -12.457  11.225
  396   1HB   ALA  51           HB3      ALA  51  -4.248 -10.231  10.018
  397   2HB   ALA  51           HB2      ALA  51  -4.721  -9.479  11.538
  398   3HB   ALA  51           HB1      ALA  51  -3.440 -10.687  11.515
   
 Raw file had 398 H/Q atoms
  Start of MODEL   21
    1    OH   TYR   1           OH       TYR   1  21.954  13.813  -1.420
    2   1H    TYR   1           HT1      TYR   1  18.181  11.893   1.552
    3   2H    TYR   1           HT3      TYR   1  17.468  12.193   0.040
    4   3H    TYR   1           HT2      TYR   1  16.504  12.129   1.437
    5    HA   TYR   1           HA       TYR   1  16.254  10.104   0.181
    6   1HB   TYR   1           HB2      TYR   1  18.849   8.957   0.676
    7   2HB   TYR   1           HB1      TYR   1  18.008   9.151  -0.860
    8    HD1  TYR   1           HD2      TYR   1  19.960  11.140   1.641
    9    HD2  TYR   1           HD1      TYR   1  18.877  10.654  -2.443
   10    HE1  TYR   1           HE2      TYR   1  21.515  12.928   1.016
   11    HE2  TYR   1           HE1      TYR   1  20.432  12.444  -3.069
   12    HH   TYR   1           HH       TYR   1  22.171  14.309  -0.627
   13    H    ALA   2           HN       ALA   2  16.518   7.863   1.244
   14    HA   ALA   2           HA       ALA   2  16.171   8.273   4.153
   15   1HB   ALA   2           HB1      ALA   2  14.761   6.778   2.377
   16   2HB   ALA   2           HB3      ALA   2  15.866   5.560   3.008
   17   3HB   ALA   2           HB2      ALA   2  14.809   6.443   4.106
   18    H    SER   3           HN       SER   3  17.782   7.902   5.525
   19    HA   SER   3           HA       SER   3  19.667   5.681   5.003
   20   1HB   SER   3           HB2      SER   3  20.705   8.468   5.606
   21   2HB   SER   3           HB1      SER   3  21.648   7.037   5.148
   22    HG   SER   3           HG1      SER   3  21.271   8.170   3.280
   23    H    LEU   4           HN       LEU   4  21.174   7.595   7.142
   24    HA   LEU   4           HA       LEU   4  20.575   5.977   9.411
   25   1HB   LEU   4           HB2      LEU   4  21.911   8.644   9.039
   26   2HB   LEU   4           HB1      LEU   4  21.609   8.038  10.661
   27    HG   LEU   4           HG       LEU   4  23.887   7.435   9.724
   28   1HD1  LEU   4          HD11      LEU   4  22.067   5.837  11.186
   29   2HD1  LEU   4          HD13      LEU   4  22.809   4.752  10.019
   30   3HD1  LEU   4          HD12      LEU   4  23.816   5.668  11.131
   31   1HD2  LEU   4          HD22      LEU   4  23.007   7.081   7.373
   32   2HD2  LEU   4          HD21      LEU   4  24.057   5.795   7.957
   33   3HD2  LEU   4          HD23      LEU   4  22.314   5.561   7.920
   34    H    GLU   5           HN       GLU   5  19.443   9.215   8.513
   35    HA   GLU   5           HA       GLU   5  17.495   9.135  10.751
   36   1HB   GLU   5           HB2      GLU   5  17.000  11.513   9.739
   37   2HB   GLU   5           HB1      GLU   5  18.451  11.255  10.699
   38   1HG   GLU   5           HG2      GLU   5  19.852  11.326   8.852
   39   2HG   GLU   5           HG1      GLU   5  18.615  10.708   7.761
   40    H    GLU   6           HN       GLU   6  15.242   9.595  10.350
   41    HA   GLU   6           HA       GLU   6  14.283   9.274   7.575
   42   1HB   GLU   6           HB2      GLU   6  14.310   7.114   9.528
   43   2HB   GLU   6           HB1      GLU   6  12.680   7.464   8.962
   44   1HG   GLU   6           HG2      GLU   6  13.400   7.245   6.632
   45   2HG   GLU   6           HG1      GLU   6  15.071   7.020   7.141
   46    H    GLN   7           HN       GLN   7  13.276  11.263   7.709
   47    HA   GLN   7           HA       GLN   7  11.394  11.754   9.943
   48   1HB   GLN   7           HB2      GLN   7  12.111  13.530   7.594
   49   2HB   GLN   7           HB1      GLN   7  11.209  14.011   9.027
   50   1HG   GLN   7           HG2      GLN   7  13.184  13.442  10.437
   51   2HG   GLN   7           HG1      GLN   7  14.084  13.028   8.980
   52   1HE2  GLN   7          HE22      GLN   7  14.740  16.622   9.925
   53   2HE2  GLN   7          HE21      GLN   7  14.868  15.157  10.773
   54    H    ASN   8           HN       ASN   8   9.956  13.512   7.816
   55    HA   ASN   8           HA       ASN   8   7.769  11.671   7.377
   56   1HB   ASN   8           HB2      ASN   8   6.991  13.621   5.829
   57   2HB   ASN   8           HB1      ASN   8   7.103  13.919   7.562
   58   1HD2  ASN   8          HD22      ASN   8  10.449  15.221   5.610
   59   2HD2  ASN   8          HD21      ASN   8   9.957  13.601   5.479
   60    H    ASN   9           HN       ASN   9   9.210  10.030   6.297
   61    HA   ASN   9           HA       ASN   9   9.771  10.659   3.448
   62   1HB   ASN   9           HB2      ASN   9  10.679   8.548   5.366
   63   2HB   ASN   9           HB1      ASN   9  10.727   8.201   3.639
   64   1HD2  ASN   9          HD22      ASN   9  13.570  10.190   3.087
   65   2HD2  ASN   9          HD21      ASN   9  12.477   9.040   2.483
   66    H    ASP  10           HN       ASP  10   7.291  10.725   3.286
   67    HA   ASP  10           HA       ASP  10   5.829   8.237   3.380
   68   1HB   ASP  10           HB2      ASP  10   4.129   9.504   2.028
   69   2HB   ASP  10           HB1      ASP  10   4.628  10.345   3.494
   70    H    ALA  11           HN       ALA  11   6.229   6.562   2.071
   71    HA   ALA  11           HA       ALA  11   6.446   7.033  -0.831
   72   1HB   ALA  11           HB3      ALA  11   8.780   6.855   0.634
   73   2HB   ALA  11           HB2      ALA  11   8.547   5.202   0.073
   74   3HB   ALA  11           HB1      ALA  11   8.635   6.522  -1.088
   75    H    LEU  12           HN       LEU  12   5.235   5.545  -1.815
   76    HA   LEU  12           HA       LEU  12   4.422   3.128  -0.322
   77   1HB   LEU  12           HB2      LEU  12   3.558   3.960  -3.096
   78   2HB   LEU  12           HB1      LEU  12   2.737   2.859  -2.000
   79    HG   LEU  12           HG       LEU  12   3.172   5.825  -1.518
   80   1HD1  LEU  12          HD11      LEU  12   1.367   4.789  -3.218
   81   2HD1  LEU  12          HD13      LEU  12   0.478   4.548  -1.718
   82   3HD1  LEU  12          HD12      LEU  12   0.985   6.167  -2.191
   83   1HD2  LEU  12          HD21      LEU  12   2.048   3.574   0.141
   84   2HD2  LEU  12          HD23      LEU  12   3.138   4.868   0.629
   85   3HD2  LEU  12          HD22      LEU  12   1.434   5.211   0.354
   86    H    SER  13           HN       SER  13   3.945   1.457  -2.564
   87    HA   SER  13           HA       SER  13   6.673   0.962  -3.628
   88   1HB   SER  13           HB2      SER  13   5.522  -1.584  -3.137
   89   2HB   SER  13           HB1      SER  13   6.893  -0.853  -2.280
   90    HG   SER  13           HG1      SER  13   4.212  -0.962  -1.596
   91    HA   PRO  14           HA       PRO  14   4.779   0.123  -7.508
   92   1HB   PRO  14           HB2      PRO  14   6.024  -2.364  -8.113
   93   2HB   PRO  14           HB1      PRO  14   6.533  -0.759  -8.639
   94   1HG   PRO  14           HG2      PRO  14   7.752  -2.479  -6.599
   95   2HG   PRO  14           HG1      PRO  14   8.381  -0.981  -7.288
   96   1HD   PRO  14           HD1      PRO  14   7.302  -1.323  -4.672
   97   2HD   PRO  14           HD2      PRO  14   7.734   0.206  -5.457
   98    H    ALA  15           HN       ALA  15   5.127  -2.809  -5.542
   99    HA   ALA  15           HA       ALA  15   3.098  -4.377  -6.702
  100   1HB   ALA  15           HB3      ALA  15   4.797  -4.641  -4.555
  101   2HB   ALA  15           HB2      ALA  15   3.218  -4.580  -3.778
  102   3HB   ALA  15           HB1      ALA  15   3.550  -5.801  -5.003
  103    H    ILE  16           HN       ILE  16   2.690  -1.389  -5.299
  104    HA   ILE  16           HA       ILE  16   0.199  -1.798  -3.898
  105    HB   ILE  16           HB       ILE  16   1.652   0.218  -3.605
  106   1HG1  ILE  16          HG12      ILE  16  -1.182   0.811  -4.556
  107   2HG1  ILE  16          HG11      ILE  16  -0.780   0.171  -2.970
  108   1HG2  ILE  16          HG21      ILE  16   1.887   0.328  -6.244
  109   2HG2  ILE  16          HG23      ILE  16   0.447   1.331  -6.126
  110   3HG2  ILE  16          HG22      ILE  16   1.924   1.807  -5.295
  111   1HD1  ILE  16           HD2      ILE  16   0.206   2.816  -4.088
  112   2HD1  ILE  16           HD1      ILE  16  -1.071   2.627  -2.893
  113   3HD1  ILE  16           HD3      ILE  16   0.578   2.171  -2.494
  114    NH1  ARG  17           NH1      ARG  17  -4.110   1.819 -11.301
  115    NH2  ARG  17           NH2      ARG  17  -3.067   3.365 -12.621
  116    H    ARG  17           HN       ARG  17   0.991  -0.889  -7.226
  117    HA   ARG  17           HA       ARG  17  -1.767  -0.477  -8.003
  118   1HB   ARG  17           HB2      ARG  17   0.858  -0.666  -9.403
  119   2HB   ARG  17           HB1      ARG  17  -0.585  -0.930 -10.370
  120   1HG   ARG  17           HG2      ARG  17  -0.203   1.475  -8.547
  121   2HG   ARG  17           HG1      ARG  17   0.200   1.492 -10.257
  122   1HD   ARG  17           HD2      ARG  17  -2.411   0.448 -10.180
  123   2HD   ARG  17           HD1      ARG  17  -2.417   1.739  -8.983
  124    HE   ARG  17           HE       ARG  17  -1.165   2.902 -11.148
  125   1HH1  ARG  17          HH11      ARG  17  -4.067   1.178 -10.535
  126   2HH1  ARG  17          HH12      ARG  17  -4.961   1.927 -11.815
  127   1HH2  ARG  17          HH21      ARG  17  -2.242   3.882 -12.845
  128   2HH2  ARG  17          HH22      ARG  17  -3.901   3.498 -13.157
  129    NH1  ARG  18           NH1      ARG  18   3.901  -5.821 -13.168
  130    NH2  ARG  18           NH2      ARG  18   2.352  -7.392 -13.760
  131    H    ARG  18           HN       ARG  18   0.474  -3.188  -8.155
  132    HA   ARG  18           HA       ARG  18  -1.381  -4.891  -9.620
  133   1HB   ARG  18           HB2      ARG  18   1.136  -5.538  -8.068
  134   2HB   ARG  18           HB1      ARG  18   0.259  -6.689  -9.069
  135   1HG   ARG  18           HG2      ARG  18   0.737  -4.215 -10.520
  136   2HG   ARG  18           HG1      ARG  18   2.250  -4.894  -9.928
  137   1HD   ARG  18           HD2      ARG  18   1.744  -7.046 -10.971
  138   2HD   ARG  18           HD1      ARG  18   0.150  -6.471 -11.458
  139    HE   ARG  18           HE       ARG  18   1.454  -4.746 -12.861
  140   1HH1  ARG  18          HH11      ARG  18   4.117  -4.968 -12.694
  141   2HH1  ARG  18          HH12      ARG  18   4.621  -6.322 -13.650
  142   1HH2  ARG  18          HH21      ARG  18   1.406  -7.716 -13.730
  143   2HH2  ARG  18          HH22      ARG  18   3.045  -7.918 -14.253
  144    H    LEU  19           HN       LEU  19  -1.138  -3.877  -6.411
  145    HA   LEU  19           HA       LEU  19  -1.995  -6.228  -5.017
  146   1HB   LEU  19           HB2      LEU  19  -1.093  -4.076  -3.998
  147   2HB   LEU  19           HB1      LEU  19  -2.688  -3.383  -4.261
  148    HG   LEU  19           HG       LEU  19  -3.404  -5.700  -3.055
  149   1HD1  LEU  19          HD11      LEU  19  -0.994  -6.349  -2.795
  150   2HD1  LEU  19          HD13      LEU  19  -0.753  -4.920  -1.794
  151   3HD1  LEU  19          HD12      LEU  19  -1.830  -6.204  -1.252
  152   1HD2  LEU  19          HD23      LEU  19  -2.543  -3.076  -1.804
  153   2HD2  LEU  19          HD22      LEU  19  -4.170  -3.552  -2.282
  154   3HD2  LEU  19          HD21      LEU  19  -3.395  -4.327  -0.904
  155    H    LEU  20           HN       LEU  20  -3.720  -3.730  -6.768
  156    HA   LEU  20           HA       LEU  20  -6.354  -4.613  -5.892
  157   1HB   LEU  20           HB2      LEU  20  -5.306  -2.672  -7.919
  158   2HB   LEU  20           HB1      LEU  20  -6.987  -3.182  -8.021
  159    HG   LEU  20           HG       LEU  20  -5.933  -2.372  -5.337
  160   1HD1  LEU  20          HD11      LEU  20  -6.453  -0.531  -7.675
  161   2HD1  LEU  20          HD13      LEU  20  -6.713   0.016  -6.021
  162   3HD1  LEU  20          HD12      LEU  20  -5.110  -0.502  -6.536
  163   1HD2  LEU  20          HD21      LEU  20  -8.243  -3.240  -5.665
  164   2HD2  LEU  20          HD23      LEU  20  -8.253  -1.571  -5.103
  165   3HD2  LEU  20          HD22      LEU  20  -8.561  -1.931  -6.799
  166    H    ALA  21           HN       ALA  21  -4.183  -5.359  -8.512
  167    HA   ALA  21           HA       ALA  21  -6.214  -6.824 -10.039
  168   1HB   ALA  21           HB3      ALA  21  -3.321  -6.190 -10.350
  169   2HB   ALA  21           HB2      ALA  21  -3.921  -7.627 -11.173
  170   3HB   ALA  21           HB1      ALA  21  -4.630  -6.053 -11.520
  171    H    GLU  22           HN       GLU  22  -4.483  -7.448  -7.277
  172    HA   GLU  22           HA       GLU  22  -4.145 -10.343  -7.810
  173   1HB   GLU  22           HB2      GLU  22  -2.499  -8.792  -6.492
  174   2HB   GLU  22           HB1      GLU  22  -3.623  -9.030  -5.159
  175   1HG   GLU  22           HG2      GLU  22  -3.403 -11.500  -5.449
  176   2HG   GLU  22           HG1      GLU  22  -2.217 -11.223  -6.722
  177    H    HIS  23           HN       HIS  23  -5.920  -8.186  -5.630
  178    HA   HIS  23           HA       HIS  23  -7.566 -10.494  -4.723
  179   1HB   HIS  23           HB2      HIS  23  -7.659  -7.649  -3.700
  180   2HB   HIS  23           HB1      HIS  23  -8.278  -9.097  -2.909
  181    HD1  HIS  23           HD1      HIS  23  -6.049 -10.901  -2.858
  182    HD2  HIS  23           HD2      HIS  23  -5.342  -6.924  -2.467
  183    HE1  HIS  23           HE1      HIS  23  -3.878 -10.757  -1.781
  184    H    ASN  24           HN       ASN  24  -7.645  -7.762  -6.786
  185    HA   ASN  24           HA       ASN  24  -9.341  -6.899  -8.162
  186   1HB   ASN  24           HB2      ASN  24  -9.519  -9.452  -8.570
  187   2HB   ASN  24           HB1      ASN  24 -10.943  -9.374  -7.537
  188   1HD2  ASN  24          HD22      ASN  24 -11.103  -7.918 -11.329
  189   2HD2  ASN  24          HD21      ASN  24  -9.661  -8.542 -10.689
  190    H    LEU  25           HN       LEU  25  -9.756  -5.264  -6.546
  191    HA   LEU  25           HA       LEU  25 -12.485  -5.540  -5.390
  192   1HB   LEU  25           HB2      LEU  25  -9.944  -4.988  -3.917
  193   2HB   LEU  25           HB1      LEU  25 -11.397  -4.139  -3.402
  194    HG   LEU  25           HG       LEU  25 -11.580  -7.093  -3.890
  195   1HD1  LEU  25          HD13      LEU  25 -10.198  -5.733  -1.571
  196   2HD1  LEU  25          HD12      LEU  25 -10.969  -7.304  -1.380
  197   3HD1  LEU  25          HD11      LEU  25  -9.640  -7.108  -2.518
  198   1HD2  LEU  25          HD23      LEU  25 -13.579  -5.717  -3.326
  199   2HD2  LEU  25          HD22      LEU  25 -13.231  -6.897  -2.068
  200   3HD2  LEU  25          HD21      LEU  25 -12.791  -5.208  -1.836
  201    H    ASP  26           HN       ASP  26 -13.688  -3.878  -6.037
  202    HA   ASP  26           HA       ASP  26 -12.568  -1.617  -7.430
  203   1HB   ASP  26           HB2      ASP  26 -15.072  -0.776  -6.852
  204   2HB   ASP  26           HB1      ASP  26 -14.725  -1.920  -8.145
  205    H    ALA  27           HN       ALA  27 -11.389  -0.117  -6.404
  206    HA   ALA  27           HA       ALA  27 -11.523   0.450  -3.610
  207   1HB   ALA  27           HB2      ALA  27 -10.128   1.505  -5.948
  208   2HB   ALA  27           HB1      ALA  27 -10.532   2.765  -4.785
  209   3HB   ALA  27           HB3      ALA  27  -9.575   1.377  -4.281
  210    H    SER  28           HN       SER  28 -13.317   1.661  -6.329
  211    HA   SER  28           HA       SER  28 -14.301   4.103  -5.390
  212   1HB   SER  28           HB2      SER  28 -16.146   2.100  -6.697
  213   2HB   SER  28           HB1      SER  28 -16.057   3.855  -6.945
  214    HG   SER  28           HG1      SER  28 -13.986   3.566  -7.819
  215    H    ALA  29           HN       ALA  29 -15.135   0.864  -4.368
  216    HA   ALA  29           HA       ALA  29 -17.447   1.668  -2.801
  217   1HB   ALA  29           HB3      ALA  29 -17.172  -0.641  -3.631
  218   2HB   ALA  29           HB2      ALA  29 -15.744  -0.832  -2.620
  219   3HB   ALA  29           HB1      ALA  29 -17.325  -0.613  -1.877
  220    H    ILE  30           HN       ILE  30 -14.020   1.452  -2.257
  221    HA   ILE  30           HA       ILE  30 -14.296   1.713   0.660
  222    HB   ILE  30           HB       ILE  30 -11.795   1.974  -1.032
  223   1HG1  ILE  30          HG12      ILE  30 -12.800  -0.169  -1.553
  224   2HG1  ILE  30          HG11      ILE  30 -11.461  -0.466  -0.458
  225   1HG2  ILE  30          HG22      ILE  30 -12.354   2.096   1.829
  226   2HG2  ILE  30          HG21      ILE  30 -11.221   0.802   1.461
  227   3HG2  ILE  30          HG23      ILE  30 -10.861   2.452   0.973
  228   1HD1  ILE  30           HD3      ILE  30 -13.292  -0.268   1.422
  229   2HD1  ILE  30           HD2      ILE  30 -14.421  -0.564   0.106
  230   3HD1  ILE  30           HD1      ILE  30 -13.186  -1.757   0.491
  231    H    LYS  31           HN       LYS  31 -14.448   3.593   1.706
  232    HA   LYS  31           HA       LYS  31 -14.469   6.101   0.252
  233   1HB   LYS  31           HB2      LYS  31 -14.453   5.619   3.242
  234   2HB   LYS  31           HB1      LYS  31 -14.904   7.118   2.438
  235   1HG   LYS  31           HG2      LYS  31 -16.725   5.883   1.245
  236   2HG   LYS  31           HG1      LYS  31 -16.308   4.439   2.160
  237   1HD   LYS  31           HD2      LYS  31 -16.931   5.454   4.234
  238   2HD   LYS  31           HD1      LYS  31 -16.992   7.059   3.514
  239   1HE   LYS  31           HE2      LYS  31 -19.011   6.632   2.409
  240   2HE   LYS  31           HE1      LYS  31 -18.764   4.890   2.421
  241   1HZ   LYS  31           HZ3      LYS  31 -18.889   5.950   5.059
  242   2HZ   LYS  31           HZ2      LYS  31 -20.286   6.334   4.172
  243   3HZ   LYS  31           HZ1      LYS  31 -19.808   4.713   4.346
  244    H    GLY  32           HN       GLY  32 -12.686   7.127  -0.384
  245   1HA   GLY  32           HA2      GLY  32 -10.156   6.701   1.107
  246   2HA   GLY  32           HA1      GLY  32 -10.290   7.420  -0.494
  247    H    THR  33           HN       THR  33  -9.767   8.076   2.722
  248    HA   THR  33           HA       THR  33 -10.975  10.757   2.734
  249    HB   THR  33           HB       THR  33  -9.736  10.886   5.001
  250    HG1  THR  33           HG1      THR  33  -9.369   8.149   4.314
  251   1HG2  THR  33          HG22      THR  33 -12.144   9.840   4.551
  252   2HG2  THR  33          HG21      THR  33 -11.308   8.320   4.847
  253   3HG2  THR  33          HG23      THR  33 -11.350   9.560   6.097
  254    H    GLY  34           HN       GLY  34  -7.664   9.851   3.612
  255   1HA   GLY  34           HA2      GLY  34  -5.661  11.037   3.233
  256   2HA   GLY  34           HA1      GLY  34  -6.206  11.016   1.559
  257    H    VAL  35           HN       VAL  35  -4.992  13.117   1.594
  258    HA   VAL  35           HA       VAL  35  -6.355  15.351   2.949
  259    HB   VAL  35           HB       VAL  35  -4.093  15.510   0.948
  260   1HG1  VAL  35          HG11      VAL  35  -5.255  17.625   1.545
  261   2HG1  VAL  35          HG13      VAL  35  -4.962  17.295   3.249
  262   3HG1  VAL  35          HG12      VAL  35  -3.607  17.601   2.167
  263   1HG2  VAL  35          HG21      VAL  35  -4.029  15.031   3.946
  264   2HG2  VAL  35          HG23      VAL  35  -3.415  13.954   2.696
  265   3HG2  VAL  35          HG22      VAL  35  -2.624  15.498   2.994
  266    H    GLY  36           HN       GLY  36  -8.315  15.730   2.016
  267   1HA   GLY  36           HA2      GLY  36  -9.553  16.990   0.375
  268   2HA   GLY  36           HA1      GLY  36  -8.260  16.698  -0.785
  269    H    GLY  37           HN       GLY  37  -8.078  13.871  -0.319
  270   1HA   GLY  37           HA2      GLY  37 -10.208  12.221  -0.374
  271   2HA   GLY  37           HA1      GLY  37 -10.420  13.043  -1.918
  272    NH1  ARG  38           NH1      ARG  38  -0.458  12.203  -3.517
  273    NH2  ARG  38           NH2      ARG  38  -0.920  14.418  -3.832
  274    H    ARG  38           HN       ARG  38  -7.440  12.012  -0.292
  275    HA   ARG  38           HA       ARG  38  -6.670  10.593  -2.784
  276   1HB   ARG  38           HB2      ARG  38  -5.258  12.085  -0.781
  277   2HB   ARG  38           HB1      ARG  38  -4.597  10.455  -0.851
  278   1HG   ARG  38           HG2      ARG  38  -4.393  10.672  -3.326
  279   2HG   ARG  38           HG1      ARG  38  -4.988  12.325  -3.213
  280   1HD   ARG  38           HD2      ARG  38  -3.029  12.568  -1.438
  281   2HD   ARG  38           HD1      ARG  38  -2.358  11.193  -2.313
  282    HE   ARG  38           HE       ARG  38  -3.230  13.359  -4.068
  283   1HH1  ARG  38          HH11      ARG  38  -0.788  11.276  -3.342
  284   2HH1  ARG  38          HH12      ARG  38   0.523  12.373  -3.623
  285   1HH2  ARG  38          HH21      ARG  38  -1.597  15.151  -3.895
  286   2HH2  ARG  38          HH22      ARG  38   0.052  14.626  -3.944
  287    H    LEU  39           HN       LEU  39  -6.335   8.418  -2.879
  288    HA   LEU  39           HA       LEU  39  -7.303   6.850  -0.558
  289   1HB   LEU  39           HB2      LEU  39  -8.252   6.413  -2.819
  290   2HB   LEU  39           HB1      LEU  39  -6.650   5.964  -3.385
  291    HG   LEU  39           HG       LEU  39  -6.577   4.136  -1.686
  292   1HD1  LEU  39          HD13      LEU  39  -9.198   5.389  -0.947
  293   2HD1  LEU  39          HD12      LEU  39  -9.052   3.642  -0.804
  294   3HD1  LEU  39          HD11      LEU  39  -7.962   4.693   0.095
  295   1HD2  LEU  39          HD23      LEU  39  -7.612   3.939  -4.066
  296   2HD2  LEU  39          HD22      LEU  39  -7.947   2.652  -2.911
  297   3HD2  LEU  39          HD21      LEU  39  -9.159   3.890  -3.227
  298    H    THR  40           HN       THR  40  -6.099   5.124   0.326
  299    HA   THR  40           HA       THR  40  -3.237   4.943  -0.471
  300    HB   THR  40           HB       THR  40  -2.407   5.467   1.684
  301    HG1  THR  40           HG1      THR  40  -5.017   4.608   2.357
  302   1HG2  THR  40          HG23      THR  40  -3.729   7.470   0.736
  303   2HG2  THR  40          HG22      THR  40  -5.052   6.957   1.780
  304   3HG2  THR  40          HG21      THR  40  -3.518   7.460   2.484
  305    NH1  ARG  41           NH2      ARG  41   1.162  -1.040   2.626
  306    NH2  ARG  41           NH1      ARG  41   2.004  -3.137   2.288
  307    H    ARG  41           HN       ARG  41  -2.162   3.076   0.712
  308    HA   ARG  41           HA       ARG  41  -3.847   0.718   0.388
  309   1HB   ARG  41           HB2      ARG  41  -1.469   0.700  -0.266
  310   2HB   ARG  41           HB1      ARG  41  -1.005   0.976   1.410
  311   1HG   ARG  41           HG2      ARG  41  -1.891  -1.150   2.098
  312   2HG   ARG  41           HG1      ARG  41  -2.708  -1.382   0.556
  313   1HD   ARG  41           HD2      ARG  41  -0.831  -2.214  -0.415
  314   2HD   ARG  41           HD1      ARG  41   0.166  -0.910   0.227
  315    HE   ARG  41           HE       ARG  41  -0.475  -3.432   1.691
  316   1HH1  ARG  41          HH21      ARG  41   0.417  -0.386   2.497
  317   2HH1  ARG  41          HH22      ARG  41   1.987  -0.768   3.123
  318   1HH2  ARG  41          HH11      ARG  41   1.890  -4.055   1.907
  319   2HH2  ARG  41          HH12      ARG  41   2.842  -2.901   2.780
  320    H    GLU  42           HN       GLU  42  -3.078   2.801   2.967
  321    HA   GLU  42           HA       GLU  42  -3.464   0.800   5.080
  322   1HB   GLU  42           HB2      GLU  42  -2.065   3.035   5.130
  323   2HB   GLU  42           HB1      GLU  42  -3.611   3.754   5.568
  324   1HG   GLU  42           HG2      GLU  42  -3.768   1.846   7.326
  325   2HG   GLU  42           HG1      GLU  42  -2.042   1.634   7.044
  326    H    ASP  43           HN       ASP  43  -5.591   1.319   3.060
  327    HA   ASP  43           HA       ASP  43  -7.797   1.937   4.986
  328   1HB   ASP  43           HB2      ASP  43  -7.412   2.911   2.159
  329   2HB   ASP  43           HB1      ASP  43  -9.013   2.841   2.893
  330    H    VAL  44           HN       VAL  44  -7.012   0.452   1.856
  331    HA   VAL  44           HA       VAL  44  -9.384  -1.253   1.944
  332    HB   VAL  44           HB       VAL  44  -6.981  -1.590   0.141
  333   1HG1  VAL  44          HG11      VAL  44  -9.942  -2.222  -0.115
  334   2HG1  VAL  44          HG13      VAL  44  -8.769  -2.419  -1.412
  335   3HG1  VAL  44          HG12      VAL  44  -8.637  -3.390   0.051
  336   1HG2  VAL  44          HG21      VAL  44  -9.302   0.354  -0.025
  337   2HG2  VAL  44          HG23      VAL  44  -7.583   0.730  -0.064
  338   3HG2  VAL  44          HG22      VAL  44  -8.334  -0.093  -1.427
  339    H    GLU  45           HN       GLU  45  -6.301  -1.355   3.314
  340    HA   GLU  45           HA       GLU  45  -5.733  -4.156   3.242
  341   1HB   GLU  45           HB2      GLU  45  -4.089  -2.457   3.957
  342   2HB   GLU  45           HB1      GLU  45  -5.052  -2.135   5.394
  343   1HG   GLU  45           HG2      GLU  45  -4.186  -3.937   6.458
  344   2HG   GLU  45           HG1      GLU  45  -4.554  -4.988   5.094
  345    H    LYS  46           HN       LYS  46  -7.758  -2.206   5.347
  346    HA   LYS  46           HA       LYS  46  -8.320  -4.469   7.134
  347   1HB   LYS  46           HB2      LYS  46  -9.839  -1.866   7.048
  348   2HB   LYS  46           HB1      LYS  46  -9.585  -2.937   8.421
  349   1HG   LYS  46           HG2      LYS  46  -7.040  -2.441   7.995
  350   2HG   LYS  46           HG1      LYS  46  -7.643  -1.037   7.122
  351   1HD   LYS  46           HD2      LYS  46  -9.134  -0.753   9.314
  352   2HD   LYS  46           HD1      LYS  46  -7.828  -1.679  10.044
  353   1HE   LYS  46           HE2      LYS  46  -7.735   1.039   8.762
  354   2HE   LYS  46           HE1      LYS  46  -7.038   0.510  10.288
  355   1HZ   LYS  46           HZ3      LYS  46  -5.902  -0.988   8.210
  356   2HZ   LYS  46           HZ2      LYS  46  -5.807   0.657   7.797
  357   3HZ   LYS  46           HZ1      LYS  46  -5.145   0.109   9.262
  358    H    HIS  47           HN       HIS  47  -9.321  -3.629   4.106
  359    HA   HIS  47           HA       HIS  47 -12.125  -4.524   4.489
  360   1HB   HIS  47           HB2      HIS  47 -11.374  -2.534   2.994
  361   2HB   HIS  47           HB1      HIS  47 -10.895  -3.781   1.846
  362    HD1  HIS  47           HD1      HIS  47 -13.908  -2.493   3.512
  363    HD2  HIS  47           HD2      HIS  47 -12.983  -5.102   0.545
  364    HE1  HIS  47           HE1      HIS  47 -16.033  -3.030   2.468
  365    H    LEU  48           HN       LEU  48  -9.105  -5.520   3.007
  366    HA   LEU  48           HA       LEU  48  -9.858  -7.618   1.361
  367   1HB   LEU  48           HB2      LEU  48  -7.545  -7.194   3.199
  368   2HB   LEU  48           HB1      LEU  48  -7.755  -8.799   2.507
  369    HG   LEU  48           HG       LEU  48  -7.953  -6.391   0.715
  370   1HD1  LEU  48          HD12      LEU  48  -5.474  -7.560   1.961
  371   2HD1  LEU  48          HD11      LEU  48  -5.406  -6.936   0.316
  372   3HD1  LEU  48          HD13      LEU  48  -5.861  -5.872   1.644
  373   1HD2  LEU  48          HD23      LEU  48  -8.337  -9.010   0.241
  374   2HD2  LEU  48          HD22      LEU  48  -7.627  -7.945  -0.968
  375   3HD2  LEU  48          HD21      LEU  48  -6.590  -8.960   0.029
  376    H    ALA  49           HN       ALA  49  -8.819  -8.348   4.668
  377    HA   ALA  49           HA       ALA  49 -11.254  -9.951   5.126
  378   1HB   ALA  49           HB2      ALA  49  -8.482 -11.167   5.029
  379   2HB   ALA  49           HB1      ALA  49  -9.901 -11.986   5.674
  380   3HB   ALA  49           HB3      ALA  49  -9.834 -11.550   3.969
  381    H    LYS  50           HN       LYS  50  -8.130 -10.399   6.656
  382    HA   LYS  50           HA       LYS  50  -9.301  -9.364   9.194
  383   1HB   LYS  50           HB2      LYS  50  -6.757 -10.958   8.840
  384   2HB   LYS  50           HB1      LYS  50  -7.641 -10.677  10.336
  385   1HG   LYS  50           HG2      LYS  50  -9.613 -11.870   9.304
  386   2HG   LYS  50           HG1      LYS  50  -8.583 -12.281   7.937
  387   1HD   LYS  50           HD2      LYS  50  -6.956 -13.162   9.836
  388   2HD   LYS  50           HD1      LYS  50  -8.443 -13.253  10.773
  389   1HE   LYS  50           HE2      LYS  50  -7.848 -14.621   8.135
  390   2HE   LYS  50           HE1      LYS  50  -8.167 -15.389   9.685
  391   1HZ   LYS  50           HZ2      LYS  50 -10.158 -13.632   8.395
  392   2HZ   LYS  50           HZ1      LYS  50 -10.052 -15.285   8.017
  393   3HZ   LYS  50           HZ3      LYS  50 -10.398 -14.796   9.607
  394    H    ALA  51           HN       ALA  51  -6.211  -9.415   9.884
  395    HA   ALA  51           HA       ALA  51  -5.780  -6.684  10.158
  396   1HB   ALA  51           HB3      ALA  51  -3.912  -8.997   9.766
  397   2HB   ALA  51           HB2      ALA  51  -3.258  -7.362   9.810
  398   3HB   ALA  51           HB1      ALA  51  -4.151  -7.992  11.192
   
 Raw file had 398 H/Q atoms
  Start of MODEL   22
    1    OH   TYR   1           OH       TYR   1  16.900  12.553  -4.988
    2   1H    TYR   1           HT3      TYR   1  14.760  14.092 -11.557
    3   2H    TYR   1           HT2      TYR   1  13.499  14.325 -10.444
    4   3H    TYR   1           HT1      TYR   1  15.068  13.983  -9.891
    5    HA   TYR   1           HA       TYR   1  14.990  11.784 -10.785
    6   1HB   TYR   1           HB2      TYR   1  12.480  12.498  -9.240
    7   2HB   TYR   1           HB1      TYR   1  13.077  10.856  -9.473
    8    HD1  TYR   1           HD2      TYR   1  14.182  14.201  -8.210
    9    HD2  TYR   1           HD1      TYR   1  14.651   9.981  -7.957
   10    HE1  TYR   1           HE2      TYR   1  15.705  14.484  -6.310
   11    HE2  TYR   1           HE1      TYR   1  16.174  10.264  -6.057
   12    HH   TYR   1           HH       TYR   1  17.533  11.830  -5.005
   13    H    ALA   2           HN       ALA   2  14.237  13.249 -13.031
   14    HA   ALA   2           HA       ALA   2  11.596  12.459 -13.947
   15   1HB   ALA   2           HB2      ALA   2  14.027  13.592 -15.338
   16   2HB   ALA   2           HB1      ALA   2  12.551  13.183 -16.209
   17   3HB   ALA   2           HB3      ALA   2  12.518  14.414 -14.950
   18    H    SER   3           HN       SER   3  14.101  10.582 -13.237
   19    HA   SER   3           HA       SER   3  13.965   8.867 -15.656
   20   1HB   SER   3           HB2      SER   3  15.588   8.068 -13.278
   21   2HB   SER   3           HB1      SER   3  16.002   8.001 -15.002
   22    HG   SER   3           HG1      SER   3  16.974   9.829 -14.613
   23    H    LEU   4           HN       LEU   4  14.121   6.385 -14.885
   24    HA   LEU   4           HA       LEU   4  11.522   5.875 -13.621
   25   1HB   LEU   4           HB2      LEU   4  13.584   4.211 -15.024
   26   2HB   LEU   4           HB1      LEU   4  12.368   3.416 -14.031
   27    HG   LEU   4           HG       LEU   4  11.438   5.519 -15.947
   28   1HD1  LEU   4          HD12      LEU   4  12.458   2.769 -16.694
   29   2HD1  LEU   4          HD11      LEU   4  11.251   3.604 -17.667
   30   3HD1  LEU   4          HD13      LEU   4  12.848   4.313 -17.447
   31   1HD2  LEU   4          HD22      LEU   4   9.910   4.331 -14.365
   32   2HD2  LEU   4          HD21      LEU   4   9.490   4.027 -16.048
   33   3HD2  LEU   4          HD23      LEU   4  10.353   2.803 -15.121
   34    H    GLU   5           HN       GLU   5  14.727   6.164 -12.592
   35    HA   GLU   5           HA       GLU   5  14.620   4.243 -10.406
   36   1HB   GLU   5           HB2      GLU   5  16.712   5.244 -11.561
   37   2HB   GLU   5           HB1      GLU   5  16.450   6.633 -10.511
   38   1HG   GLU   5           HG2      GLU   5  16.208   4.609  -8.703
   39   2HG   GLU   5           HG1      GLU   5  17.363   3.893  -9.823
   40    H    GLU   6           HN       GLU   6  12.337   5.900 -10.424
   41    HA   GLU   6           HA       GLU   6  12.751   7.840  -8.225
   42   1HB   GLU   6           HB2      GLU   6  11.340   8.543 -10.095
   43   2HB   GLU   6           HB1      GLU   6  10.289   7.153  -9.850
   44   1HG   GLU   6           HG2      GLU   6   9.235   8.117  -8.067
   45   2HG   GLU   6           HG1      GLU   6  10.735   8.781  -7.423
   46    H    GLN   7           HN       GLN   7  12.991   6.722  -6.340
   47    HA   GLN   7           HA       GLN   7  10.613   5.396  -5.267
   48   1HB   GLN   7           HB2      GLN   7  12.023   3.673  -6.643
   49   2HB   GLN   7           HB1      GLN   7  13.113   3.729  -5.262
   50   1HG   GLN   7           HG2      GLN   7  10.813   3.444  -3.915
   51   2HG   GLN   7           HG1      GLN   7  10.313   2.690  -5.427
   52   1HE2  GLN   7          HE22      GLN   7  12.841   0.737  -2.942
   53   2HE2  GLN   7          HE21      GLN   7  12.190   2.254  -2.546
   54    H    ASN   8           HN       ASN   8  10.595   5.397  -3.043
   55    HA   ASN   8           HA       ASN   8  13.098   6.097  -1.611
   56   1HB   ASN   8           HB2      ASN   8  10.593   7.664  -1.038
   57   2HB   ASN   8           HB1      ASN   8  12.260   8.066  -0.636
   58   1HD2  ASN   8          HD22      ASN   8  13.004   8.979  -4.111
   59   2HD2  ASN   8          HD21      ASN   8  13.685   8.038  -2.873
   60    H    ASN   9           HN       ASN   9   9.594   5.669  -1.136
   61    HA   ASN   9           HA       ASN   9   9.731   4.747   1.543
   62   1HB   ASN   9           HB2      ASN   9   7.520   3.608   0.975
   63   2HB   ASN   9           HB1      ASN   9   7.590   5.338   0.650
   64   1HD2  ASN   9          HD22      ASN   9   6.920   2.782  -2.383
   65   2HD2  ASN   9          HD21      ASN   9   6.935   2.293  -0.757
   66    H    ASP  10           HN       ASP  10   9.440   2.555   2.351
   67    HA   ASP  10           HA       ASP  10  10.434   0.415   0.530
   68   1HB   ASP  10           HB2      ASP  10  11.619  -0.078   3.041
   69   2HB   ASP  10           HB1      ASP  10  12.438   0.399   1.556
   70    H    ALA  11           HN       ALA  11   8.102   1.412   2.582
   71    HA   ALA  11           HA       ALA  11   7.650  -1.224   3.859
   72   1HB   ALA  11           HB1      ALA  11   7.318   0.805   5.218
   73   2HB   ALA  11           HB3      ALA  11   6.098   1.369   4.081
   74   3HB   ALA  11           HB2      ALA  11   5.807  -0.080   5.038
   75    H    LEU  12           HN       LEU  12   7.197  -0.169   0.896
   76    HA   LEU  12           HA       LEU  12   4.660  -1.699   0.556
   77   1HB   LEU  12           HB2      LEU  12   5.276   1.081  -0.414
   78   2HB   LEU  12           HB1      LEU  12   4.160   0.060  -1.311
   79    HG   LEU  12           HG       LEU  12   3.789   0.256   1.652
   80   1HD1  LEU  12          HD13      LEU  12   3.386   2.472  -0.334
   81   2HD1  LEU  12          HD12      LEU  12   2.215   2.277   0.966
   82   3HD1  LEU  12          HD11      LEU  12   3.910   2.568   1.344
   83   1HD2  LEU  12          HD23      LEU  12   2.388  -1.222   0.219
   84   2HD2  LEU  12          HD22      LEU  12   1.427   0.046   0.973
   85   3HD2  LEU  12          HD21      LEU  12   1.890   0.181  -0.720
   86    H    SER  13           HN       SER  13   4.382  -1.635  -2.122
   87    HA   SER  13           HA       SER  13   7.009  -2.329  -3.298
   88   1HB   SER  13           HB2      SER  13   6.607  -4.564  -3.238
   89   2HB   SER  13           HB1      SER  13   5.046  -4.261  -2.451
   90    HG   SER  13           HG1      SER  13   4.512  -5.083  -4.405
   91    HA   PRO  14           HA       PRO  14   5.537  -0.498  -7.005
   92   1HB   PRO  14           HB2      PRO  14   6.007  -2.692  -8.795
   93   2HB   PRO  14           HB1      PRO  14   6.995  -1.249  -8.565
   94   1HG   PRO  14           HG2      PRO  14   7.545  -3.961  -7.655
   95   2HG   PRO  14           HG1      PRO  14   8.579  -2.539  -7.514
   96   1HD   PRO  14           HD1      PRO  14   7.153  -3.844  -5.405
   97   2HD   PRO  14           HD2      PRO  14   8.069  -2.331  -5.302
   98    H    ALA  15           HN       ALA  15   4.411  -3.648  -6.113
   99    HA   ALA  15           HA       ALA  15   2.212  -3.761  -8.006
  100   1HB   ALA  15           HB1      ALA  15   3.162  -5.795  -6.965
  101   2HB   ALA  15           HB3      ALA  15   2.596  -5.242  -5.392
  102   3HB   ALA  15           HB2      ALA  15   1.435  -5.657  -6.648
  103    H    ILE  16           HN       ILE  16   2.775  -1.831  -5.371
  104    HA   ILE  16           HA       ILE  16   0.450  -1.727  -3.855
  105    HB   ILE  16           HB       ILE  16   2.430  -0.218  -3.582
  106   1HG1  ILE  16          HG12      ILE  16  -0.268   1.170  -3.824
  107   2HG1  ILE  16          HG11      ILE  16   0.286   0.256  -2.426
  108   1HG2  ILE  16          HG22      ILE  16   2.085   0.354  -6.219
  109   2HG2  ILE  16          HG21      ILE  16   1.269   1.736  -5.495
  110   3HG2  ILE  16          HG23      ILE  16   2.956   1.407  -5.110
  111   1HD1  ILE  16           HD1      ILE  16   2.383   2.004  -2.839
  112   2HD1  ILE  16           HD3      ILE  16   0.989   2.988  -3.274
  113   3HD1  ILE  16           HD2      ILE  16   1.083   2.253  -1.677
  114    NH1  ARG  17           NH1      ARG  17  -0.282   4.743 -10.034
  115    NH2  ARG  17           NH2      ARG  17   1.705   5.323 -11.000
  116    H    ARG  17           HN       ARG  17   0.890  -0.792  -7.182
  117    HA   ARG  17           HA       ARG  17  -1.722   0.525  -7.373
  118   1HB   ARG  17           HB2      ARG  17   0.310  -0.317  -9.453
  119   2HB   ARG  17           HB1      ARG  17  -1.192   0.510  -9.844
  120   1HG   ARG  17           HG2      ARG  17  -0.558   2.443  -8.551
  121   2HG   ARG  17           HG1      ARG  17   0.815   1.596  -7.849
  122   1HD   ARG  17           HD2      ARG  17   1.930   1.490 -10.008
  123   2HD   ARG  17           HD1      ARG  17   0.510   2.148 -10.820
  124    HE   ARG  17           HE       ARG  17   2.325   3.688  -9.030
  125   1HH1  ARG  17          HH11      ARG  17  -0.797   4.127  -9.438
  126   2HH1  ARG  17          HH12      ARG  17  -0.744   5.512 -10.477
  127   1HH2  ARG  17          HH21      ARG  17   2.680   5.142 -11.128
  128   2HH2  ARG  17          HH22      ARG  17   1.277   6.101 -11.460
  129    NH1  ARG  18           NH1      ARG  18   3.297  -5.310 -11.062
  130    NH2  ARG  18           NH2      ARG  18   2.439  -7.423 -10.912
  131    H    ARG  18           HN       ARG  18  -0.305  -2.410  -8.812
  132    HA   ARG  18           HA       ARG  18  -2.856  -3.420  -9.712
  133   1HB   ARG  18           HB2      ARG  18  -0.236  -4.865  -9.234
  134   2HB   ARG  18           HB1      ARG  18  -1.613  -5.530 -10.105
  135   1HG   ARG  18           HG2      ARG  18  -1.175  -4.298 -11.973
  136   2HG   ARG  18           HG1      ARG  18  -0.782  -2.859 -11.040
  137   1HD   ARG  18           HD2      ARG  18   1.200  -3.779 -12.270
  138   2HD   ARG  18           HD1      ARG  18   1.441  -3.756 -10.523
  139    HE   ARG  18           HE       ARG  18   0.354  -6.282 -11.527
  140   1HH1  ARG  18          HH11      ARG  18   3.146  -4.334 -11.212
  141   2HH1  ARG  18          HH12      ARG  18   4.219  -5.651 -10.880
  142   1HH2  ARG  18          HH21      ARG  18   1.644  -8.029 -10.950
  143   2HH2  ARG  18          HH22      ARG  18   3.347  -7.799 -10.727
  144    H    LEU  19           HN       LEU  19  -1.592  -3.085  -6.673
  145    HA   LEU  19           HA       LEU  19  -2.201  -5.486  -5.324
  146   1HB   LEU  19           HB2      LEU  19  -1.099  -3.411  -4.363
  147   2HB   LEU  19           HB1      LEU  19  -2.706  -2.714  -4.220
  148    HG   LEU  19           HG       LEU  19  -3.171  -5.096  -3.040
  149   1HD1  LEU  19          HD11      LEU  19  -0.748  -5.736  -3.418
  150   2HD1  LEU  19          HD13      LEU  19  -0.300  -4.445  -2.308
  151   3HD1  LEU  19          HD12      LEU  19  -1.259  -5.807  -1.735
  152   1HD2  LEU  19          HD21      LEU  19  -1.897  -2.661  -1.749
  153   2HD2  LEU  19          HD23      LEU  19  -3.618  -2.901  -2.034
  154   3HD2  LEU  19          HD22      LEU  19  -2.766  -3.917  -0.874
  155    H    LEU  20           HN       LEU  20  -4.293  -2.981  -6.547
  156    HA   LEU  20           HA       LEU  20  -6.664  -3.879  -5.122
  157   1HB   LEU  20           HB2      LEU  20  -6.281  -2.099  -7.540
  158   2HB   LEU  20           HB1      LEU  20  -7.848  -2.410  -6.801
  159    HG   LEU  20           HG       LEU  20  -5.674  -1.591  -4.945
  160   1HD1  LEU  20          HD12      LEU  20  -6.985   0.339  -6.894
  161   2HD1  LEU  20          HD11      LEU  20  -5.979   0.803  -5.526
  162   3HD1  LEU  20          HD13      LEU  20  -5.277  -0.090  -6.870
  163   1HD2  LEU  20          HD22      LEU  20  -8.116  -2.047  -4.368
  164   2HD2  LEU  20          HD21      LEU  20  -7.505  -0.482  -3.840
  165   3HD2  LEU  20          HD23      LEU  20  -8.517  -0.592  -5.276
  166    H    ALA  21           HN       ALA  21  -5.406  -4.288  -8.407
  167    HA   ALA  21           HA       ALA  21  -7.610  -6.074  -9.148
  168   1HB   ALA  21           HB3      ALA  21  -6.153  -4.470 -10.660
  169   2HB   ALA  21           HB2      ALA  21  -5.080  -5.865 -10.738
  170   3HB   ALA  21           HB1      ALA  21  -6.743  -6.000 -11.303
  171    H    GLU  22           HN       GLU  22  -4.859  -6.419  -7.334
  172    HA   GLU  22           HA       GLU  22  -4.130  -9.113  -8.244
  173   1HB   GLU  22           HB2      GLU  22  -2.463  -7.510  -7.280
  174   2HB   GLU  22           HB1      GLU  22  -3.282  -7.655  -5.729
  175   1HG   GLU  22           HG2      GLU  22  -2.073  -9.516  -5.304
  176   2HG   GLU  22           HG1      GLU  22  -2.851 -10.303  -6.675
  177    H    HIS  23           HN       HIS  23  -5.754  -7.665  -5.448
  178    HA   HIS  23           HA       HIS  23  -6.530 -10.381  -4.513
  179   1HB   HIS  23           HB2      HIS  23  -6.875  -7.679  -3.187
  180   2HB   HIS  23           HB1      HIS  23  -7.251  -9.234  -2.453
  181    HD1  HIS  23           HD1      HIS  23  -4.893 -10.820  -2.907
  182    HD2  HIS  23           HD2      HIS  23  -4.481  -6.846  -2.211
  183    HE1  HIS  23           HE1      HIS  23  -2.604 -10.555  -2.146
  184    H    ASN  24           HN       ASN  24  -7.670  -8.375  -6.714
  185    HA   ASN  24           HA       ASN  24  -9.796  -8.017  -7.647
  186   1HB   ASN  24           HB2      ASN  24 -10.873 -10.118  -5.779
  187   2HB   ASN  24           HB1      ASN  24 -11.345  -9.772  -7.441
  188   1HD2  ASN  24          HD22      ASN  24  -8.375 -12.405  -6.719
  189   2HD2  ASN  24          HD21      ASN  24  -9.295 -11.710  -5.472
  190    H    LEU  25           HN       LEU  25  -9.386  -6.038  -6.117
  191    HA   LEU  25           HA       LEU  25 -11.858  -5.739  -4.477
  192   1HB   LEU  25           HB2      LEU  25  -9.025  -5.374  -3.606
  193   2HB   LEU  25           HB1      LEU  25 -10.229  -4.249  -2.984
  194    HG   LEU  25           HG       LEU  25 -10.850  -7.186  -2.934
  195   1HD1  LEU  25          HD13      LEU  25  -8.798  -5.746  -1.286
  196   2HD1  LEU  25          HD12      LEU  25  -9.816  -6.941  -0.489
  197   3HD1  LEU  25          HD11      LEU  25  -8.802  -7.414  -1.848
  198   1HD2  LEU  25          HD21      LEU  25 -12.385  -5.174  -2.267
  199   2HD2  LEU  25          HD23      LEU  25 -12.302  -6.557  -1.181
  200   3HD2  LEU  25          HD22      LEU  25 -11.385  -5.099  -0.820
  201    H    ASP  26           HN       ASP  26 -12.907  -4.325  -5.773
  202    HA   ASP  26           HA       ASP  26 -11.585  -2.226  -7.251
  203   1HB   ASP  26           HB2      ASP  26 -14.365  -3.107  -6.762
  204   2HB   ASP  26           HB1      ASP  26 -14.174  -1.393  -7.121
  205    H    ALA  27           HN       ALA  27 -10.877  -0.326  -6.516
  206    HA   ALA  27           HA       ALA  27 -11.249   0.453  -3.754
  207   1HB   ALA  27           HB3      ALA  27  -9.735   1.402  -6.079
  208   2HB   ALA  27           HB2      ALA  27 -10.307   2.706  -5.044
  209   3HB   ALA  27           HB1      ALA  27  -9.301   1.427  -4.373
  210    H    SER  28           HN       SER  28 -12.961   1.053  -6.677
  211    HA   SER  28           HA       SER  28 -14.173   3.539  -6.222
  212   1HB   SER  28           HB2      SER  28 -14.519   2.074  -8.254
  213   2HB   SER  28           HB1      SER  28 -15.647   1.108  -7.284
  214    HG   SER  28           HG1      SER  28 -17.011   2.629  -7.823
  215    H    ALA  29           HN       ALA  29 -14.638   0.538  -4.561
  216    HA   ALA  29           HA       ALA  29 -17.053   1.566  -3.180
  217   1HB   ALA  29           HB1      ALA  29 -16.294  -0.975  -3.995
  218   2HB   ALA  29           HB3      ALA  29 -16.003  -1.001  -2.258
  219   3HB   ALA  29           HB2      ALA  29 -17.603  -0.606  -2.876
  220    H    ILE  30           HN       ILE  30 -13.698   0.699  -2.559
  221    HA   ILE  30           HA       ILE  30 -13.881   1.075   0.311
  222    HB   ILE  30           HB       ILE  30 -11.389   1.246  -1.404
  223   1HG1  ILE  30          HG12      ILE  30 -12.535  -0.800  -2.019
  224   2HG1  ILE  30          HG11      ILE  30 -11.199  -1.234  -0.967
  225   1HG2  ILE  30          HG21      ILE  30 -11.954   0.985   1.518
  226   2HG2  ILE  30          HG23      ILE  30 -10.637   0.008   0.889
  227   3HG2  ILE  30          HG22      ILE  30 -10.603   1.753   0.698
  228   1HD1  ILE  30           HD2      ILE  30 -12.955  -1.058   0.959
  229   2HD1  ILE  30           HD1      ILE  30 -14.150  -1.154  -0.330
  230   3HD1  ILE  30           HD3      ILE  30 -13.009  -2.470  -0.088
  231    H    LYS  31           HN       LYS  31 -12.661   2.782   1.469
  232    HA   LYS  31           HA       LYS  31 -13.140   5.409   0.160
  233   1HB   LYS  31           HB2      LYS  31 -13.423   4.383   2.843
  234   2HB   LYS  31           HB1      LYS  31 -12.339   5.766   2.855
  235   1HG   LYS  31           HG2      LYS  31 -14.588   6.612   3.128
  236   2HG   LYS  31           HG1      LYS  31 -14.075   7.032   1.501
  237   1HD   LYS  31           HD2      LYS  31 -15.171   4.545   1.090
  238   2HD   LYS  31           HD1      LYS  31 -16.184   5.151   2.394
  239   1HE   LYS  31           HE2      LYS  31 -17.267   5.933   0.444
  240   2HE   LYS  31           HE1      LYS  31 -16.344   7.326   0.988
  241   1HZ   LYS  31           HZ3      LYS  31 -15.004   5.491  -0.829
  242   2HZ   LYS  31           HZ2      LYS  31 -16.255   6.435  -1.482
  243   3HZ   LYS  31           HZ1      LYS  31 -14.925   7.184  -0.737
  244    H    GLY  32           HN       GLY  32 -11.444   6.406  -0.735
  245   1HA   GLY  32           HA2      GLY  32  -8.709   5.627   0.109
  246   2HA   GLY  32           HA1      GLY  32  -9.111   6.542  -1.341
  247    H    THR  33           HN       THR  33  -9.339   6.831   2.203
  248    HA   THR  33           HA       THR  33  -9.607   9.621   2.377
  249    HB   THR  33           HB       THR  33  -8.409   9.346   4.639
  250    HG1  THR  33           HG1      THR  33  -7.249   7.579   4.749
  251   1HG2  THR  33          HG21      THR  33 -10.882   8.171   3.747
  252   2HG2  THR  33          HG23      THR  33 -10.091   7.029   4.829
  253   3HG2  THR  33          HG22      THR  33 -10.453   8.661   5.384
  254    H    GLY  34           HN       GLY  34  -6.518   8.298   3.389
  255   1HA   GLY  34           HA2      GLY  34  -4.328   9.020   2.953
  256   2HA   GLY  34           HA1      GLY  34  -4.890   9.379   1.322
  257    H    VAL  35           HN       VAL  35  -3.022  11.013   2.453
  258    HA   VAL  35           HA       VAL  35  -4.347  13.320   3.697
  259    HB   VAL  35           HB       VAL  35  -1.532  13.250   2.611
  260   1HG1  VAL  35          HG12      VAL  35  -2.708  15.375   3.507
  261   2HG1  VAL  35          HG11      VAL  35  -2.612  14.607   5.089
  262   3HG1  VAL  35          HG13      VAL  35  -1.138  14.976   4.199
  263   1HG2  VAL  35          HG21      VAL  35  -2.646  12.102   5.188
  264   2HG2  VAL  35          HG23      VAL  35  -1.691  11.266   3.966
  265   3HG2  VAL  35          HG22      VAL  35  -0.942  12.497   4.979
  266    H    GLY  36           HN       GLY  36  -5.860  13.653   1.900
  267   1HA   GLY  36           HA2      GLY  36  -5.948  15.750   0.410
  268   2HA   GLY  36           HA1      GLY  36  -4.596  15.017  -0.449
  269    H    GLY  37           HN       GLY  37  -5.607  12.317  -0.242
  270   1HA   GLY  37           HA2      GLY  37  -8.046  11.546  -0.986
  271   2HA   GLY  37           HA1      GLY  37  -7.625  12.493  -2.410
  272    NH1  ARG  38           NH1      ARG  38   0.322  10.416  -4.587
  273    NH2  ARG  38           NH2      ARG  38   1.857   9.667  -3.069
  274    H    ARG  38           HN       ARG  38  -4.738  11.482  -1.615
  275    HA   ARG  38           HA       ARG  38  -4.492   9.535  -3.657
  276   1HB   ARG  38           HB2      ARG  38  -2.767   9.912  -1.194
  277   2HB   ARG  38           HB1      ARG  38  -2.302   9.010  -2.632
  278   1HG   ARG  38           HG2      ARG  38  -2.401  10.994  -4.005
  279   2HG   ARG  38           HG1      ARG  38  -3.147  11.921  -2.707
  280   1HD   ARG  38           HD2      ARG  38  -0.617  12.264  -3.049
  281   2HD   ARG  38           HD1      ARG  38  -1.139  11.902  -1.405
  282    HE   ARG  38           HE       ARG  38  -0.273   9.641  -1.683
  283   1HH1  ARG  38          HH11      ARG  38  -0.595  10.767  -4.776
  284   2HH1  ARG  38          HH12      ARG  38   0.972  10.289  -5.337
  285   1HH2  ARG  38          HH21      ARG  38   2.090   9.455  -2.121
  286   2HH2  ARG  38          HH22      ARG  38   2.533   9.526  -3.794
  287    H    LEU  39           HN       LEU  39  -4.708   7.354  -3.712
  288    HA   LEU  39           HA       LEU  39  -6.117   6.092  -1.477
  289   1HB   LEU  39           HB2      LEU  39  -6.882   5.521  -3.684
  290   2HB   LEU  39           HB1      LEU  39  -5.256   5.112  -4.209
  291    HG   LEU  39           HG       LEU  39  -5.203   3.153  -2.793
  292   1HD1  LEU  39          HD13      LEU  39  -7.706   4.374  -1.614
  293   2HD1  LEU  39          HD12      LEU  39  -7.359   2.657  -1.434
  294   3HD1  LEU  39          HD11      LEU  39  -6.248   3.853  -0.776
  295   1HD2  LEU  39          HD23      LEU  39  -6.510   3.015  -4.939
  296   2HD2  LEU  39          HD22      LEU  39  -7.044   1.862  -3.720
  297   3HD2  LEU  39          HD21      LEU  39  -7.975   3.328  -4.014
  298    H    THR  40           HN       THR  40  -4.967   5.406   0.216
  299    HA   THR  40           HA       THR  40  -2.205   4.388  -0.216
  300    HB   THR  40           HB       THR  40  -2.000   4.604   2.271
  301    HG1  THR  40           HG1      THR  40  -4.733   4.832   1.819
  302   1HG2  THR  40          HG22      THR  40  -2.794   6.838   0.506
  303   2HG2  THR  40          HG21      THR  40  -3.138   7.136   2.208
  304   3HG2  THR  40          HG23      THR  40  -1.494   6.772   1.692
  305    NH1  ARG  41           NH1      ARG  41   0.818  -4.450   2.935
  306    NH2  ARG  41           NH2      ARG  41   0.187  -3.921   5.067
  307    H    ARG  41           HN       ARG  41  -1.756   2.602   1.645
  308    HA   ARG  41           HA       ARG  41  -3.486   0.345   0.861
  309   1HB   ARG  41           HB2      ARG  41  -0.906   0.309   0.988
  310   2HB   ARG  41           HB1      ARG  41  -1.128   0.191   2.730
  311   1HG   ARG  41           HG2      ARG  41  -2.680  -1.778   2.289
  312   2HG   ARG  41           HG1      ARG  41  -2.146  -1.727   0.613
  313   1HD   ARG  41           HD2      ARG  41  -0.396  -3.023   1.244
  314   2HD   ARG  41           HD1      ARG  41   0.227  -1.622   2.111
  315    HE   ARG  41           HE       ARG  41  -1.684  -2.843   3.799
  316   1HH1  ARG  41          HH11      ARG  41   0.694  -4.329   1.951
  317   2HH1  ARG  41          HH12      ARG  41   1.522  -5.073   3.277
  318   1HH2  ARG  41          HH21      ARG  41  -0.411  -3.404   5.679
  319   2HH2  ARG  41          HH22      ARG  41   0.880  -4.534   5.446
  320    H    GLU  42           HN       GLU  42  -3.059   2.476   3.511
  321    HA   GLU  42           HA       GLU  42  -4.174   0.713   5.545
  322   1HB   GLU  42           HB2      GLU  42  -2.706   2.921   5.749
  323   2HB   GLU  42           HB1      GLU  42  -4.289   3.687   5.810
  324   1HG   GLU  42           HG2      GLU  42  -4.919   2.029   7.626
  325   2HG   GLU  42           HG1      GLU  42  -3.233   1.515   7.649
  326    H    ASP  43           HN       ASP  43  -5.698   1.082   3.044
  327    HA   ASP  43           HA       ASP  43  -8.262   2.024   4.267
  328   1HB   ASP  43           HB2      ASP  43  -7.186   2.565   1.494
  329   2HB   ASP  43           HB1      ASP  43  -8.883   2.780   1.917
  330    H    VAL  44           HN       VAL  44  -6.614  -0.137   2.063
  331    HA   VAL  44           HA       VAL  44  -9.131  -1.645   1.588
  332    HB   VAL  44           HB       VAL  44  -6.454  -2.416   0.462
  333   1HG1  VAL  44          HG13      VAL  44  -8.871  -3.566   0.232
  334   2HG1  VAL  44          HG12      VAL  44  -9.038  -2.361  -1.041
  335   3HG1  VAL  44          HG11      VAL  44  -7.731  -3.539  -1.110
  336   1HG2  VAL  44          HG22      VAL  44  -8.149  -0.024  -0.224
  337   2HG2  VAL  44          HG21      VAL  44  -6.394  -0.151  -0.145
  338   3HG2  VAL  44          HG23      VAL  44  -7.267  -0.859  -1.500
  339    H    GLU  45           HN       GLU  45  -6.478  -1.626   3.667
  340    HA   GLU  45           HA       GLU  45  -6.069  -4.442   4.053
  341   1HB   GLU  45           HB2      GLU  45  -4.460  -2.808   4.884
  342   2HB   GLU  45           HB1      GLU  45  -5.674  -2.119   5.956
  343   1HG   GLU  45           HG2      GLU  45  -5.357  -5.035   6.249
  344   2HG   GLU  45           HG1      GLU  45  -3.911  -4.119   6.666
  345    H    LYS  46           HN       LYS  46  -8.095  -2.089   5.785
  346    HA   LYS  46           HA       LYS  46  -9.254  -4.100   7.527
  347   1HB   LYS  46           HB2      LYS  46 -11.025  -2.152   7.780
  348   2HB   LYS  46           HB1      LYS  46  -9.419  -1.991   8.477
  349   1HG   LYS  46           HG2      LYS  46  -9.797  -1.131   5.631
  350   2HG   LYS  46           HG1      LYS  46 -10.452  -0.093   6.890
  351   1HD   LYS  46           HD2      LYS  46  -7.654  -1.107   7.243
  352   2HD   LYS  46           HD1      LYS  46  -7.923   0.161   6.055
  353   1HE   LYS  46           HE2      LYS  46  -7.420   0.835   8.540
  354   2HE   LYS  46           HE1      LYS  46  -8.681   1.691   7.661
  355   1HZ   LYS  46           HZ2      LYS  46 -10.125  -0.253   8.656
  356   2HZ   LYS  46           HZ1      LYS  46  -8.910  -0.232   9.840
  357   3HZ   LYS  46           HZ3      LYS  46  -9.815   1.170   9.527
  358    H    HIS  47           HN       HIS  47  -9.430  -4.081   4.404
  359    HA   HIS  47           HA       HIS  47 -12.326  -4.835   4.312
  360   1HB   HIS  47           HB2      HIS  47 -11.424  -2.665   3.050
  361   2HB   HIS  47           HB1      HIS  47 -10.961  -3.862   1.843
  362    HD1  HIS  47           HD1      HIS  47 -13.855  -2.170   3.124
  363    HD2  HIS  47           HD2      HIS  47 -13.179  -5.462   0.852
  364    HE1  HIS  47           HE1      HIS  47 -16.000  -2.675   2.108
  365    H    LEU  48           HN       LEU  48  -9.085  -5.699   3.742
  366    HA   LEU  48           HA       LEU  48  -9.568  -7.723   1.713
  367   1HB   LEU  48           HB2      LEU  48  -7.281  -6.929   3.466
  368   2HB   LEU  48           HB1      LEU  48  -7.251  -8.538   2.755
  369    HG   LEU  48           HG       LEU  48  -7.939  -6.219   0.980
  370   1HD1  LEU  48          HD12      LEU  48  -5.276  -6.778   2.247
  371   2HD1  LEU  48          HD11      LEU  48  -5.313  -6.263   0.564
  372   3HD1  LEU  48          HD13      LEU  48  -6.001  -5.232   1.814
  373   1HD2  LEU  48          HD22      LEU  48  -8.014  -8.575   0.175
  374   2HD2  LEU  48          HD21      LEU  48  -6.781  -7.645  -0.669
  375   3HD2  LEU  48          HD23      LEU  48  -6.319  -8.765   0.608
  376    H    ALA  49           HN       ALA  49  -9.139 -10.064   2.151
  377    HA   ALA  49           HA       ALA  49  -9.385 -11.149   4.795
  378   1HB   ALA  49           HB3      ALA  49 -11.904 -10.630   3.267
  379   2HB   ALA  49           HB2      ALA  49 -11.796 -12.092   4.243
  380   3HB   ALA  49           HB1      ALA  49 -11.605 -10.513   4.998
  381    H    LYS  50           HN       LYS  50  -9.093 -13.353   4.790
  382    HA   LYS  50           HA       LYS  50  -8.139 -14.546   2.342
  383   1HB   LYS  50           HB2      LYS  50  -8.859 -15.933   4.938
  384   2HB   LYS  50           HB1      LYS  50  -7.810 -16.556   3.672
  385   1HG   LYS  50           HG2      LYS  50  -6.108 -15.614   4.853
  386   2HG   LYS  50           HG1      LYS  50  -6.675 -14.091   4.181
  387   1HD   LYS  50           HD2      LYS  50  -6.656 -13.623   6.478
  388   2HD   LYS  50           HD1      LYS  50  -8.328 -14.105   6.235
  389   1HE   LYS  50           HE2      LYS  50  -7.374 -15.255   8.198
  390   2HE   LYS  50           HE1      LYS  50  -7.749 -16.419   6.934
  391   1HZ   LYS  50           HZ2      LYS  50  -5.087 -15.305   6.807
  392   2HZ   LYS  50           HZ1      LYS  50  -5.395 -16.254   8.182
  393   3HZ   LYS  50           HZ3      LYS  50  -5.607 -16.912   6.631
  394    H    ALA  51           HN       ALA  51  -9.003 -16.793   1.691
  395    HA   ALA  51           HA       ALA  51 -11.914 -16.476   1.218
  396   1HB   ALA  51           HB3      ALA  51  -9.853 -18.316  -0.022
  397   2HB   ALA  51           HB2      ALA  51 -11.557 -18.296  -0.466
  398   3HB   ALA  51           HB1      ALA  51 -10.555 -16.879  -0.756
   
 Raw file had 398 H/Q atoms
  Start of MODEL   23
    1    OH   TYR   1           OH       TYR   1  26.992  11.464   3.042
    2   1H    TYR   1           HT2      TYR   1  25.419   6.899   7.202
    3   2H    TYR   1           HT1      TYR   1  25.435   8.487   6.600
    4   3H    TYR   1           HT3      TYR   1  26.872   7.584   6.652
    5    HA   TYR   1           HA       TYR   1  26.902   7.606   9.020
    6   1HB   TYR   1           HB2      TYR   1  26.360  10.373   9.044
    7   2HB   TYR   1           HB1      TYR   1  27.927   9.602   8.811
    8    HD1  TYR   1           HD2      TYR   1  25.003  11.049   7.088
    9    HD2  TYR   1           HD1      TYR   1  28.871   9.357   6.580
   10    HE1  TYR   1           HE2      TYR   1  25.036  11.822   4.761
   11    HE2  TYR   1           HE1      TYR   1  28.906  10.131   4.254
   12    HH   TYR   1           HH       TYR   1  26.217  11.109   2.600
   13    H    ALA   2           HN       ALA   2  23.912   7.752   7.709
   14    HA   ALA   2           HA       ALA   2  22.638   7.827  10.346
   15   1HB   ALA   2           HB3      ALA   2  22.881  10.257   9.157
   16   2HB   ALA   2           HB2      ALA   2  21.346   9.725   8.476
   17   3HB   ALA   2           HB1      ALA   2  21.546   9.829  10.222
   18    H    SER   3           HN       SER   3  20.007   8.287   9.393
   19    HA   SER   3           HA       SER   3  19.591   5.725   7.958
   20   1HB   SER   3           HB2      SER   3  18.331   6.543  10.136
   21   2HB   SER   3           HB1      SER   3  17.316   7.405   8.963
   22    HG   SER   3           HG1      SER   3  16.442   5.458   8.839
   23    H    LEU   4           HN       LEU   4  17.707   5.739   6.365
   24    HA   LEU   4           HA       LEU   4  18.197   7.937   4.440
   25   1HB   LEU   4           HB2      LEU   4  17.058   5.171   4.265
   26   2HB   LEU   4           HB1      LEU   4  16.643   6.345   3.021
   27    HG   LEU   4           HG       LEU   4  19.522   6.104   3.803
   28   1HD1  LEU   4          HD11      LEU   4  17.901   4.032   2.337
   29   2HD1  LEU   4          HD13      LEU   4  19.582   4.302   1.891
   30   3HD1  LEU   4          HD12      LEU   4  19.177   3.797   3.528
   31   1HD2  LEU   4          HD22      LEU   4  18.683   7.781   2.148
   32   2HD2  LEU   4          HD21      LEU   4  19.822   6.647   1.429
   33   3HD2  LEU   4          HD23      LEU   4  18.095   6.458   1.144
   34    H    GLU   5           HN       GLU   5  15.950   7.068   6.795
   35    HA   GLU   5           HA       GLU   5  14.090   9.154   5.809
   36   1HB   GLU   5           HB2      GLU   5  13.284   6.926   4.953
   37   2HB   GLU   5           HB1      GLU   5  13.103   6.411   6.626
   38   1HG   GLU   5           HG2      GLU   5  11.848   8.931   6.491
   39   2HG   GLU   5           HG1      GLU   5  11.339   8.082   5.033
   40    H    GLU   6           HN       GLU   6  13.548  10.450   7.448
   41    HA   GLU   6           HA       GLU   6  13.214   9.336  10.165
   42   1HB   GLU   6           HB2      GLU   6  14.694  11.369  10.957
   43   2HB   GLU   6           HB1      GLU   6  15.458   9.860  10.471
   44   1HG   GLU   6           HG2      GLU   6  16.148  10.722   8.402
   45   2HG   GLU   6           HG1      GLU   6  14.906  11.971   8.398
   46    H    GLN   7           HN       GLN   7  12.943  11.984   7.907
   47    HA   GLN   7           HA       GLN   7  11.508  13.784   9.637
   48   1HB   GLN   7           HB2      GLN   7  11.857  13.524   6.667
   49   2HB   GLN   7           HB1      GLN   7  10.667  14.653   7.307
   50   1HG   GLN   7           HG2      GLN   7  13.495  14.625   8.369
   51   2HG   GLN   7           HG1      GLN   7  13.085  15.534   6.916
   52   1HE2  GLN   7          HE22      GLN   7  11.205  18.004   8.660
   53   2HE2  GLN   7          HE21      GLN   7  11.506  17.307   7.143
   54    H    ASN   8           HN       ASN   8   9.184  14.473   8.563
   55    HA   ASN   8           HA       ASN   8   7.368  12.449   9.452
   56   1HB   ASN   8           HB2      ASN   8   5.725  14.004   8.034
   57   2HB   ASN   8           HB1      ASN   8   6.396  14.542   9.572
   58   1HD2  ASN   8          HD22      ASN   8   8.424  15.919   6.270
   59   2HD2  ASN   8          HD21      ASN   8   8.008  14.276   6.369
   60    H    ASN   9           HN       ASN   9   9.202  12.473   6.732
   61    HA   ASN   9           HA       ASN   9   7.585  11.777   4.571
   62   1HB   ASN   9           HB2      ASN   9  10.293  11.656   5.118
   63   2HB   ASN   9           HB1      ASN   9   9.872   9.965   4.856
   64   1HD2  ASN   9          HD22      ASN   9  10.294  12.286   1.672
   65   2HD2  ASN   9          HD21      ASN   9  10.945  12.609   3.205
   66    H    ASP  10           HN       ASP  10   7.465   9.426   3.670
   67    HA   ASP  10           HA       ASP  10   6.897   7.422   5.765
   68   1HB   ASP  10           HB2      ASP  10   4.821   8.971   5.148
   69   2HB   ASP  10           HB1      ASP  10   4.711   7.870   3.777
   70    H    ALA  11           HN       ALA  11   5.720   5.474   4.393
   71    HA   ALA  11           HA       ALA  11   7.174   5.139   1.822
   72   1HB   ALA  11           HB3      ALA  11   7.439   3.363   4.249
   73   2HB   ALA  11           HB2      ALA  11   7.815   2.790   2.627
   74   3HB   ALA  11           HB1      ALA  11   8.724   4.129   3.320
   75    H    LEU  12           HN       LEU  12   5.711   4.517   0.371
   76    HA   LEU  12           HA       LEU  12   3.243   3.160   1.293
   77   1HB   LEU  12           HB2      LEU  12   4.033   4.385  -1.359
   78   2HB   LEU  12           HB1      LEU  12   2.498   3.568  -1.081
   79    HG   LEU  12           HG       LEU  12   3.284   5.662   0.894
   80   1HD1  LEU  12          HD11      LEU  12   2.290   6.283  -1.912
   81   2HD1  LEU  12          HD13      LEU  12   2.400   7.447  -0.595
   82   3HD1  LEU  12          HD12      LEU  12   3.863   6.726  -1.257
   83   1HD2  LEU  12          HD21      LEU  12   1.168   4.341   1.033
   84   2HD2  LEU  12          HD23      LEU  12   0.859   6.064   0.847
   85   3HD2  LEU  12          HD22      LEU  12   0.687   4.986  -0.534
   86    H    SER  13           HN       SER  13   2.405   1.541  -0.497
   87    HA   SER  13           HA       SER  13   4.514  -0.522  -0.733
   88   1HB   SER  13           HB2      SER  13   1.508  -0.736  -1.004
   89   2HB   SER  13           HB1      SER  13   2.642  -2.100  -1.038
   90    HG   SER  13           HG1      SER  13   1.698  -1.404   1.090
   91    HA   PRO  14           HA       PRO  14   4.508   0.822  -5.112
   92   1HB   PRO  14           HB2      PRO  14   6.412  -1.260  -5.723
   93   2HB   PRO  14           HB1      PRO  14   6.667   0.486  -5.700
   94   1HG   PRO  14           HG2      PRO  14   7.635  -1.424  -3.785
   95   2HG   PRO  14           HG1      PRO  14   7.780   0.332  -3.697
   96   1HD   PRO  14           HD1      PRO  14   6.054  -1.418  -2.143
   97   2HD   PRO  14           HD2      PRO  14   6.290   0.333  -1.961
   98    H    ALA  15           HN       ALA  15   3.686  -2.095  -3.636
   99    HA   ALA  15           HA       ALA  15   2.765  -3.337  -6.181
  100   1HB   ALA  15           HB3      ALA  15   4.050  -4.627  -4.349
  101   2HB   ALA  15           HB2      ALA  15   2.548  -4.563  -3.435
  102   3HB   ALA  15           HB1      ALA  15   2.594  -5.378  -4.995
  103    H    ILE  16           HN       ILE  16   1.587  -0.997  -4.544
  104    HA   ILE  16           HA       ILE  16  -0.992  -1.973  -3.624
  105    HB   ILE  16           HB       ILE  16   0.202   0.156  -2.857
  106   1HG1  ILE  16          HG12      ILE  16  -2.681   0.296  -3.801
  107   2HG1  ILE  16          HG11      ILE  16  -2.129  -0.335  -2.254
  108   1HG2  ILE  16          HG22      ILE  16   0.452   0.791  -5.415
  109   2HG2  ILE  16          HG21      ILE  16  -1.153   1.477  -5.184
  110   3HG2  ILE  16          HG23      ILE  16   0.199   2.052  -4.212
  111   1HD1  ILE  16           HD2      ILE  16  -0.963   2.086  -2.137
  112   2HD1  ILE  16           HD1      ILE  16  -2.316   2.494  -3.189
  113   3HD1  ILE  16           HD3      ILE  16  -2.616   1.822  -1.588
  114    NH1  ARG  17           NH2      ARG  17  -3.665   3.233 -10.626
  115    NH2  ARG  17           NH1      ARG  17  -2.152   4.852 -11.184
  116    H    ARG  17           HN       ARG  17   0.318  -0.921  -6.647
  117    HA   ARG  17           HA       ARG  17  -2.220  -0.302  -7.909
  118   1HB   ARG  17           HB2      ARG  17   0.586  -0.758  -8.869
  119   2HB   ARG  17           HB1      ARG  17  -0.723  -0.701 -10.037
  120   1HG   ARG  17           HG2      ARG  17  -0.244   1.458  -7.948
  121   2HG   ARG  17           HG1      ARG  17   0.405   1.539  -9.580
  122   1HD   ARG  17           HD2      ARG  17  -2.291   0.966 -10.014
  123   2HD   ARG  17           HD1      ARG  17  -2.328   2.068  -8.640
  124    HE   ARG  17           HE       ARG  17  -0.554   3.023 -10.725
  125   1HH1  ARG  17          HH21      ARG  17  -3.847   2.313 -10.280
  126   2HH1  ARG  17          HH22      ARG  17  -4.426   3.826 -10.888
  127   1HH2  ARG  17          HH11      ARG  17  -1.199   5.145 -11.255
  128   2HH2  ARG  17          HH12      ARG  17  -2.887   5.474 -11.455
  129    NH1  ARG  18           NH2      ARG  18   2.908  -6.742 -12.253
  130    NH2  ARG  18           NH1      ARG  18   2.230  -8.099 -10.546
  131    H    ARG  18           HN       ARG  18   0.061  -2.954  -8.573
  132    HA   ARG  18           HA       ARG  18  -1.815  -4.555  -9.998
  133   1HB   ARG  18           HB2      ARG  18   0.647  -5.376  -8.437
  134   2HB   ARG  18           HB1      ARG  18  -0.218  -6.422  -9.558
  135   1HG   ARG  18           HG2      ARG  18   0.587  -3.722 -10.552
  136   2HG   ARG  18           HG1      ARG  18   1.864  -4.914 -10.344
  137   1HD   ARG  18           HD2      ARG  18  -0.689  -5.361 -11.931
  138   2HD   ARG  18           HD1      ARG  18   0.889  -5.010 -12.632
  139    HE   ARG  18           HE       ARG  18   0.039  -7.592 -11.836
  140   1HH1  ARG  18          HH21      ARG  18   2.673  -6.096 -12.979
  141   2HH1  ARG  18          HH22      ARG  18   3.864  -6.995 -12.100
  142   1HH2  ARG  18          HH11      ARG  18   1.485  -8.471  -9.992
  143   2HH2  ARG  18          HH12      ARG  18   3.174  -8.375 -10.365
  144    H    LEU  19           HN       LEU  19  -1.853  -3.703  -6.802
  145    HA   LEU  19           HA       LEU  19  -2.603  -6.123  -5.488
  146   1HB   LEU  19           HB2      LEU  19  -2.012  -3.951  -4.355
  147   2HB   LEU  19           HB1      LEU  19  -3.579  -3.328  -4.849
  148    HG   LEU  19           HG       LEU  19  -4.680  -5.232  -3.640
  149   1HD1  LEU  19          HD11      LEU  19  -1.806  -5.926  -3.166
  150   2HD1  LEU  19          HD13      LEU  19  -2.929  -6.197  -1.839
  151   3HD1  LEU  19          HD12      LEU  19  -3.193  -6.987  -3.389
  152   1HD2  LEU  19          HD22      LEU  19  -4.345  -3.011  -2.564
  153   2HD2  LEU  19          HD21      LEU  19  -4.286  -4.321  -1.389
  154   3HD2  LEU  19          HD23      LEU  19  -2.794  -3.564  -1.939
  155    H    LEU  20           HN       LEU  20  -4.375  -3.897  -7.503
  156    HA   LEU  20           HA       LEU  20  -7.014  -4.838  -6.804
  157   1HB   LEU  20           HB2      LEU  20  -6.015  -3.473  -9.317
  158   2HB   LEU  20           HB1      LEU  20  -7.710  -3.702  -8.904
  159    HG   LEU  20           HG       LEU  20  -5.959  -2.434  -6.840
  160   1HD1  LEU  20          HD13      LEU  20  -6.900  -1.082  -9.390
  161   2HD1  LEU  20          HD12      LEU  20  -6.400  -0.198  -7.950
  162   3HD1  LEU  20          HD11      LEU  20  -5.243  -1.212  -8.806
  163   1HD2  LEU  20          HD21      LEU  20  -8.381  -2.919  -6.477
  164   2HD2  LEU  20          HD23      LEU  20  -8.038  -1.193  -6.401
  165   3HD2  LEU  20          HD22      LEU  20  -8.774  -1.882  -7.845
  166    H    ALA  21           HN       ALA  21  -4.811  -5.581  -9.490
  167    HA   ALA  21           HA       ALA  21  -6.568  -7.586 -10.629
  168   1HB   ALA  21           HB3      ALA  21  -4.511  -6.239 -11.654
  169   2HB   ALA  21           HB2      ALA  21  -3.623  -7.663 -11.118
  170   3HB   ALA  21           HB1      ALA  21  -4.952  -7.833 -12.262
  171    H    GLU  22           HN       GLU  22  -4.941  -7.581  -7.792
  172    HA   GLU  22           HA       GLU  22  -4.118 -10.432  -7.916
  173   1HB   GLU  22           HB2      GLU  22  -2.662  -8.645  -6.846
  174   2HB   GLU  22           HB1      GLU  22  -3.870  -8.540  -5.570
  175   1HG   GLU  22           HG2      GLU  22  -2.766 -10.253  -4.571
  176   2HG   GLU  22           HG1      GLU  22  -3.433 -11.283  -5.836
  177    H    HIS  23           HN       HIS  23  -6.287  -8.287  -6.118
  178    HA   HIS  23           HA       HIS  23  -7.736 -10.707  -5.108
  179   1HB   HIS  23           HB2      HIS  23  -7.845  -7.925  -3.933
  180   2HB   HIS  23           HB1      HIS  23  -8.407  -9.425  -3.198
  181    HD1  HIS  23           HD1      HIS  23  -6.129 -11.178  -3.349
  182    HD2  HIS  23           HD2      HIS  23  -5.516  -7.218  -2.713
  183    HE1  HIS  23           HE1      HIS  23  -3.924 -11.042  -2.345
  184    H    ASN  24           HN       ASN  24  -7.892  -8.305  -7.362
  185    HA   ASN  24           HA       ASN  24  -9.650  -7.364  -8.613
  186   1HB   ASN  24           HB2      ASN  24 -10.107  -9.599  -9.291
  187   2HB   ASN  24           HB1      ASN  24 -10.791 -10.013  -7.722
  188   1HD2  ASN  24          HD22      ASN  24 -13.167  -7.267  -9.557
  189   2HD2  ASN  24          HD21      ASN  24 -11.563  -6.897  -9.143
  190    H    LEU  25           HN       LEU  25  -9.849  -5.634  -7.014
  191    HA   LEU  25           HA       LEU  25 -12.551  -5.676  -5.768
  192   1HB   LEU  25           HB2      LEU  25  -9.942  -5.309  -4.372
  193   2HB   LEU  25           HB1      LEU  25 -11.286  -4.297  -3.857
  194    HG   LEU  25           HG       LEU  25 -11.720  -7.252  -4.220
  195   1HD1  LEU  25          HD13      LEU  25 -10.501  -5.890  -1.794
  196   2HD1  LEU  25          HD12      LEU  25 -11.117  -7.540  -1.808
  197   3HD1  LEU  25          HD11      LEU  25  -9.727  -7.110  -2.799
  198   1HD2  LEU  25          HD23      LEU  25 -13.421  -5.249  -3.632
  199   2HD2  LEU  25          HD22      LEU  25 -13.620  -6.864  -2.962
  200   3HD2  LEU  25          HD21      LEU  25 -12.851  -5.602  -2.005
  201    H    ASP  26           HN       ASP  26 -13.550  -3.660  -5.666
  202    HA   ASP  26           HA       ASP  26 -12.306  -1.601  -7.400
  203   1HB   ASP  26           HB2      ASP  26 -14.575  -0.573  -7.366
  204   2HB   ASP  26           HB1      ASP  26 -14.610  -2.247  -7.914
  205    H    ALA  27           HN       ALA  27 -10.838  -0.542  -6.103
  206    HA   ALA  27           HA       ALA  27 -11.165   0.173  -3.390
  207   1HB   ALA  27           HB1      ALA  27  -9.176   0.489  -5.207
  208   2HB   ALA  27           HB3      ALA  27  -9.764   2.145  -5.099
  209   3HB   ALA  27           HB2      ALA  27  -9.203   1.314  -3.652
  210    H    SER  28           HN       SER  28 -12.935   1.223  -6.031
  211    HA   SER  28           HA       SER  28 -13.431   3.961  -5.249
  212   1HB   SER  28           HB2      SER  28 -15.626   2.645  -6.693
  213   2HB   SER  28           HB1      SER  28 -14.608   4.008  -7.197
  214    HG   SER  28           HG1      SER  28 -14.119   2.186  -8.449
  215    H    ALA  29           HN       ALA  29 -14.501   0.944  -4.067
  216    HA   ALA  29           HA       ALA  29 -16.898   2.134  -2.778
  217   1HB   ALA  29           HB2      ALA  29 -16.118  -0.521  -3.630
  218   2HB   ALA  29           HB1      ALA  29 -16.604  -0.533  -1.937
  219   3HB   ALA  29           HB3      ALA  29 -17.711   0.070  -3.166
  220    H    ILE  30           HN       ILE  30 -13.710   0.907  -2.048
  221    HA   ILE  30           HA       ILE  30 -14.062   0.805   0.820
  222    HB   ILE  30           HB       ILE  30 -11.476   1.189  -0.710
  223   1HG1  ILE  30          HG12      ILE  30 -12.981  -0.829  -1.408
  224   2HG1  ILE  30          HG11      ILE  30 -11.302  -1.148  -1.015
  225   1HG2  ILE  30          HG23      ILE  30 -12.147   0.183   2.066
  226   2HG2  ILE  30          HG22      ILE  30 -10.577  -0.074   1.311
  227   3HG2  ILE  30          HG21      ILE  30 -11.143   1.560   1.630
  228   1HD1  ILE  30           HD3      ILE  30 -13.524  -1.402   1.038
  229   2HD1  ILE  30           HD2      ILE  30 -12.997  -2.741   0.035
  230   3HD1  ILE  30           HD1      ILE  30 -11.876  -1.996   1.163
  231    H    LYS  31           HN       LYS  31 -13.052   2.257   2.364
  232    HA   LYS  31           HA       LYS  31 -13.661   5.023   1.783
  233   1HB   LYS  31           HB2      LYS  31 -12.145   3.827   4.117
  234   2HB   LYS  31           HB1      LYS  31 -12.812   5.455   4.053
  235   1HG   LYS  31           HG2      LYS  31 -15.078   4.339   3.573
  236   2HG   LYS  31           HG1      LYS  31 -14.316   2.828   4.057
  237   1HD   LYS  31           HD2      LYS  31 -13.685   3.882   6.232
  238   2HD   LYS  31           HD1      LYS  31 -14.539   5.342   5.747
  239   1HE   LYS  31           HE2      LYS  31 -15.729   2.583   6.159
  240   2HE   LYS  31           HE1      LYS  31 -16.043   4.023   7.119
  241   1HZ   LYS  31           HZ2      LYS  31 -16.691   3.744   4.239
  242   2HZ   LYS  31           HZ1      LYS  31 -17.803   3.538   5.506
  243   3HZ   LYS  31           HZ3      LYS  31 -17.086   5.055   5.244
  244    H    GLY  32           HN       GLY  32 -12.304   5.478  -0.031
  245   1HA   GLY  32           HA2      GLY  32  -9.381   5.475   0.457
  246   2HA   GLY  32           HA1      GLY  32 -10.163   5.804  -1.087
  247    H    THR  33           HN       THR  33 -11.291   7.309   1.833
  248    HA   THR  33           HA       THR  33 -10.713   9.954   0.701
  249    HB   THR  33           HB       THR  33 -12.087  10.811   2.520
  250    HG1  THR  33           HG1      THR  33 -12.168   8.269   3.681
  251   1HG2  THR  33          HG22      THR  33 -13.189   9.108   0.785
  252   2HG2  THR  33          HG21      THR  33 -13.277   8.063   2.199
  253   3HG2  THR  33          HG23      THR  33 -14.096   9.622   2.204
  254    H    GLY  34           HN       GLY  34  -8.305   9.111   0.915
  255   1HA   GLY  34           HA2      GLY  34  -6.956   9.068   3.384
  256   2HA   GLY  34           HA1      GLY  34  -6.219   9.605   1.877
  257    H    VAL  35           HN       VAL  35  -5.137  11.011   3.612
  258    HA   VAL  35           HA       VAL  35  -6.658  13.195   4.750
  259    HB   VAL  35           HB       VAL  35  -3.677  13.090   4.231
  260   1HG1  VAL  35          HG13      VAL  35  -5.382  14.556   6.275
  261   2HG1  VAL  35          HG12      VAL  35  -3.622  14.595   6.205
  262   3HG1  VAL  35          HG11      VAL  35  -4.571  15.294   4.897
  263   1HG2  VAL  35          HG21      VAL  35  -5.378  11.487   5.971
  264   2HG2  VAL  35          HG23      VAL  35  -3.651  11.334   5.662
  265   3HG2  VAL  35          HG22      VAL  35  -4.228  12.435   6.907
  266    H    GLY  36           HN       GLY  36  -7.746  13.632   2.592
  267   1HA   GLY  36           HA2      GLY  36  -7.467  16.038   1.524
  268   2HA   GLY  36           HA1      GLY  36  -6.066  15.280   0.774
  269    H    GLY  37           HN       GLY  37  -7.465  12.679   0.609
  270   1HA   GLY  37           HA2      GLY  37  -9.650  12.049  -0.580
  271   2HA   GLY  37           HA1      GLY  37  -9.234  13.322  -1.723
  272    NH1  ARG  38           NH1      ARG  38  -3.730  15.660  -1.023
  273    NH2  ARG  38           NH2      ARG  38  -1.576  15.282  -1.684
  274    H    ARG  38           HN       ARG  38  -6.625  11.512  -0.436
  275    HA   ARG  38           HA       ARG  38  -6.244  10.224  -3.092
  276   1HB   ARG  38           HB2      ARG  38  -4.166  10.119  -0.950
  277   2HB   ARG  38           HB1      ARG  38  -3.969  10.292  -2.691
  278   1HG   ARG  38           HG2      ARG  38  -5.005  12.602  -2.477
  279   2HG   ARG  38           HG1      ARG  38  -4.901  12.411  -0.730
  280   1HD   ARG  38           HD2      ARG  38  -2.363  11.708  -1.462
  281   2HD   ARG  38           HD1      ARG  38  -2.743  12.900  -2.704
  282    HE   ARG  38           HE       ARG  38  -2.707  13.440   0.227
  283   1HH1  ARG  38          HH11      ARG  38  -4.573  15.313  -0.608
  284   2HH1  ARG  38          HH12      ARG  38  -3.682  16.606  -1.339
  285   1HH2  ARG  38          HH21      ARG  38  -0.804  14.653  -1.765
  286   2HH2  ARG  38          HH22      ARG  38  -1.492  16.223  -2.011
  287    H    LEU  39           HN       LEU  39  -5.600   7.998  -3.211
  288    HA   LEU  39           HA       LEU  39  -6.909   6.365  -1.119
  289   1HB   LEU  39           HB2      LEU  39  -7.545   5.795  -3.367
  290   2HB   LEU  39           HB1      LEU  39  -5.868   5.733  -3.891
  291    HG   LEU  39           HG       LEU  39  -5.451   3.735  -2.589
  292   1HD1  LEU  39          HD11      LEU  39  -8.147   4.387  -1.383
  293   2HD1  LEU  39          HD13      LEU  39  -7.481   2.760  -1.295
  294   3HD1  LEU  39          HD12      LEU  39  -6.621   4.104  -0.552
  295   1HD2  LEU  39          HD22      LEU  39  -6.685   3.469  -4.759
  296   2HD2  LEU  39          HD21      LEU  39  -7.020   2.176  -3.612
  297   3HD2  LEU  39          HD23      LEU  39  -8.196   3.464  -3.855
  298    H    THR  40           HN       THR  40  -5.523   6.157   0.581
  299    HA   THR  40           HA       THR  40  -2.668   5.639   0.146
  300    HB   THR  40           HB       THR  40  -2.442   5.911   2.505
  301    HG1  THR  40           HG1      THR  40  -4.077   5.230   3.833
  302   1HG2  THR  40          HG22      THR  40  -3.702   7.904   1.349
  303   2HG2  THR  40          HG21      THR  40  -5.130   7.250   2.143
  304   3HG2  THR  40          HG23      THR  40  -3.763   7.801   3.105
  305    NH1  ARG  41           NH1      ARG  41   1.934  -2.128   3.700
  306    NH2  ARG  41           NH2      ARG  41   1.658  -3.889   2.269
  307    H    ARG  41           HN       ARG  41  -2.117   3.810   2.153
  308    HA   ARG  41           HA       ARG  41  -3.086   1.315   0.867
  309   1HB   ARG  41           HB2      ARG  41  -0.605   1.836   1.274
  310   2HB   ARG  41           HB1      ARG  41  -0.938   1.537   2.976
  311   1HG   ARG  41           HG2      ARG  41  -2.128  -0.644   1.847
  312   2HG   ARG  41           HG1      ARG  41  -0.811  -0.375   0.713
  313   1HD   ARG  41           HD2      ARG  41   0.711  -0.182   2.791
  314   2HD   ARG  41           HD1      ARG  41  -0.635  -0.881   3.691
  315    HE   ARG  41           HE       ARG  41  -0.319  -2.622   1.569
  316   1HH1  ARG  41          HH11      ARG  41   1.617  -1.242   4.038
  317   2HH1  ARG  41          HH12      ARG  41   2.750  -2.551   4.093
  318   1HH2  ARG  41          HH21      ARG  41   1.133  -4.322   1.536
  319   2HH2  ARG  41          HH22      ARG  41   2.469  -4.341   2.639
  320    H    GLU  42           HN       GLU  42  -3.285   3.098   3.829
  321    HA   GLU  42           HA       GLU  42  -4.192   0.903   5.488
  322   1HB   GLU  42           HB2      GLU  42  -4.384   3.907   5.761
  323   2HB   GLU  42           HB1      GLU  42  -5.005   2.800   6.980
  324   1HG   GLU  42           HG2      GLU  42  -2.208   2.362   6.006
  325   2HG   GLU  42           HG1      GLU  42  -2.494   3.721   7.091
  326    H    ASP  43           HN       ASP  43  -5.572   1.987   2.822
  327    HA   ASP  43           HA       ASP  43  -8.344   2.163   3.874
  328   1HB   ASP  43           HB2      ASP  43  -7.301   2.475   1.045
  329   2HB   ASP  43           HB1      ASP  43  -8.950   2.795   1.575
  330    H    VAL  44           HN       VAL  44  -6.681   0.421   1.245
  331    HA   VAL  44           HA       VAL  44  -8.776  -1.581   1.073
  332    HB   VAL  44           HB       VAL  44  -5.980  -1.961   0.026
  333   1HG1  VAL  44          HG13      VAL  44  -7.942  -3.659  -0.159
  334   2HG1  VAL  44          HG12      VAL  44  -8.624  -2.526  -1.320
  335   3HG1  VAL  44          HG11      VAL  44  -7.058  -3.268  -1.629
  336   1HG2  VAL  44          HG23      VAL  44  -8.147  -0.114  -1.023
  337   2HG2  VAL  44          HG22      VAL  44  -6.501   0.323  -0.578
  338   3HG2  VAL  44          HG21      VAL  44  -6.794  -0.669  -2.003
  339    H    GLU  45           HN       GLU  45  -5.725  -1.304   2.755
  340    HA   GLU  45           HA       GLU  45  -5.265  -4.008   3.431
  341   1HB   GLU  45           HB2      GLU  45  -3.812  -1.951   3.937
  342   2HB   GLU  45           HB1      GLU  45  -4.824  -1.730   5.360
  343   1HG   GLU  45           HG2      GLU  45  -4.243  -4.413   5.516
  344   2HG   GLU  45           HG1      GLU  45  -2.755  -3.771   4.825
  345    H    LYS  46           HN       LYS  46  -6.908  -1.586   5.467
  346    HA   LYS  46           HA       LYS  46  -7.842  -3.279   7.477
  347   1HB   LYS  46           HB2      LYS  46  -8.134  -0.706   7.147
  348   2HB   LYS  46           HB1      LYS  46  -9.644  -1.149   6.360
  349   1HG   LYS  46           HG2      LYS  46 -10.062  -2.613   8.473
  350   2HG   LYS  46           HG1      LYS  46  -8.800  -1.636   9.217
  351   1HD   LYS  46           HD2      LYS  46 -10.621  -0.312   9.738
  352   2HD   LYS  46           HD1      LYS  46 -10.256   0.352   8.149
  353   1HE   LYS  46           HE2      LYS  46 -12.550  -0.114   7.971
  354   2HE   LYS  46           HE1      LYS  46 -11.826  -1.557   7.274
  355   1HZ   LYS  46           HZ3      LYS  46 -11.947  -2.498   9.607
  356   2HZ   LYS  46           HZ2      LYS  46 -12.993  -1.208   9.963
  357   3HZ   LYS  46           HZ1      LYS  46 -13.412  -2.335   8.763
  358    H    HIS  47           HN       HIS  47  -8.839  -3.125   4.183
  359    HA   HIS  47           HA       HIS  47 -11.448  -4.300   4.465
  360   1HB   HIS  47           HB2      HIS  47 -10.262  -3.163   2.397
  361   2HB   HIS  47           HB1      HIS  47  -9.761  -4.813   2.043
  362    HD1  HIS  47           HD1      HIS  47 -13.019  -3.414   3.178
  363    HD2  HIS  47           HD2      HIS  47 -11.563  -5.892   0.313
  364    HE1  HIS  47           HE1      HIS  47 -14.975  -4.177   1.961
  365    H    LEU  48           HN       LEU  48  -8.216  -5.648   4.115
  366    HA   LEU  48           HA       LEU  48  -9.300  -8.399   4.079
  367   1HB   LEU  48           HB2      LEU  48  -6.469  -7.329   3.956
  368   2HB   LEU  48           HB1      LEU  48  -6.881  -9.040   3.892
  369    HG   LEU  48           HG       LEU  48  -8.350  -7.257   2.012
  370   1HD1  LEU  48          HD12      LEU  48  -5.392  -7.880   1.815
  371   2HD1  LEU  48          HD11      LEU  48  -6.366  -7.487   0.403
  372   3HD1  LEU  48          HD13      LEU  48  -6.170  -6.307   1.693
  373   1HD2  LEU  48          HD21      LEU  48  -8.513  -9.818   2.260
  374   2HD2  LEU  48          HD23      LEU  48  -8.281  -9.200   0.628
  375   3HD2  LEU  48          HD22      LEU  48  -6.919  -9.877   1.514
  376    H    ALA  49           HN       ALA  49 -10.217  -7.779   6.315
  377    HA   ALA  49           HA       ALA  49  -8.677  -7.432   8.623
  378   1HB   ALA  49           HB2      ALA  49 -11.169  -9.107   8.242
  379   2HB   ALA  49           HB1      ALA  49 -10.505  -8.678   9.815
  380   3HB   ALA  49           HB3      ALA  49 -11.096  -7.418   8.735
  381    H    LYS  50           HN       LYS  50  -8.064  -9.028  10.282
  382    HA   LYS  50           HA       LYS  50  -6.704 -11.327   9.004
  383   1HB   LYS  50           HB2      LYS  50  -5.607  -9.669  10.658
  384   2HB   LYS  50           HB1      LYS  50  -6.490 -10.543  11.906
  385   1HG   LYS  50           HG2      LYS  50  -5.478 -12.682  10.986
  386   2HG   LYS  50           HG1      LYS  50  -4.457 -11.678   9.962
  387   1HD   LYS  50           HD2      LYS  50  -3.957 -10.454  12.284
  388   2HD   LYS  50           HD1      LYS  50  -4.404 -12.028  12.935
  389   1HE   LYS  50           HE2      LYS  50  -2.084 -12.248  12.575
  390   2HE   LYS  50           HE1      LYS  50  -2.777 -12.983  11.135
  391   1HZ   LYS  50           HZ1      LYS  50  -2.321 -10.129  10.974
  392   2HZ   LYS  50           HZ3      LYS  50  -0.919 -11.081  11.088
  393   3HZ   LYS  50           HZ2      LYS  50  -2.028 -11.348   9.828
  394    H    ALA  51           HN       ALA  51  -6.900 -13.465   9.815
  395    HA   ALA  51           HA       ALA  51  -9.585 -14.228  10.510
  396   1HB   ALA  51           HB3      ALA  51  -7.611 -15.570   9.356
  397   2HB   ALA  51           HB2      ALA  51  -7.279 -16.069  11.012
  398   3HB   ALA  51           HB1      ALA  51  -8.846 -16.415  10.284
   
 Raw file had 398 H/Q atoms
  Start of MODEL   24
    1    OH   TYR   1           OH       TYR   1  16.465  13.772 -20.154
    2   1H    TYR   1           HT3      TYR   1  13.079  10.582 -15.841
    3   2H    TYR   1           HT2      TYR   1  14.193  11.609 -16.610
    4   3H    TYR   1           HT1      TYR   1  14.582   9.976 -16.350
    5    HA   TYR   1           HA       TYR   1  14.816  10.256 -14.059
    6   1HB   TYR   1           HB2      TYR   1  16.113  12.677 -14.130
    7   2HB   TYR   1           HB1      TYR   1  16.830  11.145 -14.624
    8    HD1  TYR   1           HD2      TYR   1  16.464  10.433 -17.098
    9    HD2  TYR   1           HD1      TYR   1  15.859  14.408 -15.713
   10    HE1  TYR   1           HE2      TYR   1  16.651  11.262 -19.398
   11    HE2  TYR   1           HE1      TYR   1  16.045  15.238 -18.013
   12    HH   TYR   1           HH       TYR   1  17.070  14.517 -20.152
   13    H    ALA   2           HN       ALA   2  14.312  11.337 -12.141
   14    HA   ALA   2           HA       ALA   2  11.807  12.578 -11.946
   15   1HB   ALA   2           HB2      ALA   2  14.049  12.088 -10.192
   16   2HB   ALA   2           HB1      ALA   2  13.352  13.670  -9.857
   17   3HB   ALA   2           HB3      ALA   2  12.342  12.229  -9.787
   18    H    SER   3           HN       SER   3  11.714  14.914 -10.804
   19    HA   SER   3           HA       SER   3  12.744  16.760 -12.882
   20   1HB   SER   3           HB2      SER   3  11.112  17.984 -10.791
   21   2HB   SER   3           HB1      SER   3  10.804  17.886 -12.535
   22    HG   SER   3           HG1      SER   3  10.024  15.833 -12.278
   23    H    LEU   4           HN       LEU   4  13.828  18.720 -12.315
   24    HA   LEU   4           HA       LEU   4  16.006  18.524 -10.610
   25   1HB   LEU   4           HB2      LEU   4  14.514  21.123 -10.987
   26   2HB   LEU   4           HB1      LEU   4  16.245  20.892 -10.775
   27    HG   LEU   4           HG       LEU   4  15.688  19.305 -12.978
   28   1HD1  LEU   4          HD13      LEU   4  13.377  20.415 -12.931
   29   2HD1  LEU   4          HD12      LEU   4  14.197  21.916 -13.348
   30   3HD1  LEU   4          HD11      LEU   4  14.257  20.545 -14.450
   31   1HD2  LEU   4          HD21      LEU   4  16.648  22.167 -12.713
   32   2HD2  LEU   4          HD23      LEU   4  17.627  20.712 -12.878
   33   3HD2  LEU   4          HD22      LEU   4  16.686  21.300 -14.245
   34    H    GLU   5           HN       GLU   5  13.167  20.492  -9.751
   35    HA   GLU   5           HA       GLU   5  13.847  20.327  -6.913
   36   1HB   GLU   5           HB2      GLU   5  11.639  21.578  -6.669
   37   2HB   GLU   5           HB1      GLU   5  12.868  22.382  -7.638
   38   1HG   GLU   5           HG2      GLU   5  11.629  22.213  -9.541
   39   2HG   GLU   5           HG1      GLU   5  11.178  20.545  -9.197
   40    H    GLU   6           HN       GLU   6  12.697  19.244  -5.308
   41    HA   GLU   6           HA       GLU   6  10.477  17.467  -6.145
   42   1HB   GLU   6           HB2      GLU   6  13.093  16.522  -4.966
   43   2HB   GLU   6           HB1      GLU   6  11.628  15.550  -4.920
   44   1HG   GLU   6           HG2      GLU   6  11.473  15.775  -7.423
   45   2HG   GLU   6           HG1      GLU   6  13.034  16.591  -7.402
   46    H    GLN   7           HN       GLN   7  10.060  19.637  -4.632
   47    HA   GLN   7           HA       GLN   7  10.425  19.558  -1.867
   48   1HB   GLN   7           HB2      GLN   7   9.318  21.439  -2.922
   49   2HB   GLN   7           HB1      GLN   7   7.975  20.417  -3.419
   50   1HG   GLN   7           HG2      GLN   7   7.003  20.505  -1.357
   51   2HG   GLN   7           HG1      GLN   7   8.543  20.295  -0.525
   52   1HE2  GLN   7          HE22      GLN   7   6.988  23.870  -0.358
   53   2HE2  GLN   7          HE21      GLN   7   6.159  22.392  -0.452
   54    H    ASN   8           HN       ASN   8   7.124  19.043  -2.583
   55    HA   ASN   8           HA       ASN   8   6.797  17.030  -0.589
   56   1HB   ASN   8           HB2      ASN   8   4.876  18.309  -1.211
   57   2HB   ASN   8           HB1      ASN   8   5.059  17.884  -2.911
   58   1HD2  ASN   8          HD22      ASN   8   3.618  15.019  -0.326
   59   2HD2  ASN   8          HD21      ASN   8   4.649  16.229   0.270
   60    H    ASN   9           HN       ASN   9   8.583  15.596  -1.246
   61    HA   ASN   9           HA       ASN   9   8.310  14.040  -3.697
   62   1HB   ASN   9           HB2      ASN   9  10.082  12.594  -2.364
   63   2HB   ASN   9           HB1      ASN   9  10.536  14.159  -3.035
   64   1HD2  ASN   9          HD22      ASN   9   9.465  14.573   0.875
   65   2HD2  ASN   9          HD21      ASN   9   8.357  13.993  -0.273
   66    H    ASP  10           HN       ASP  10   6.109  13.297  -3.372
   67    HA   ASP  10           HA       ASP  10   6.058  10.794  -1.777
   68   1HB   ASP  10           HB2      ASP  10   4.841  13.114  -0.848
   69   2HB   ASP  10           HB1      ASP  10   3.520  12.225  -1.602
   70    H    ALA  11           HN       ALA  11   5.080   9.170  -2.840
   71    HA   ALA  11           HA       ALA  11   3.002   9.706  -4.840
   72   1HB   ALA  11           HB3      ALA  11   5.462   9.918  -5.841
   73   2HB   ALA  11           HB2      ALA  11   5.329   8.164  -5.895
   74   3HB   ALA  11           HB1      ALA  11   4.164   9.162  -6.758
   75    H    LEU  12           HN       LEU  12   1.745   7.922  -5.250
   76    HA   LEU  12           HA       LEU  12   1.520   5.866  -3.387
   77   1HB   LEU  12           HB2      LEU  12   0.885   5.706  -6.347
   78   2HB   LEU  12           HB1      LEU  12   0.252   4.627  -5.113
   79    HG   LEU  12           HG       LEU  12  -0.086   7.559  -4.647
   80   1HD1  LEU  12          HD13      LEU  12  -1.679   5.965  -6.683
   81   2HD1  LEU  12          HD12      LEU  12  -2.167   7.532  -6.046
   82   3HD1  LEU  12          HD11      LEU  12  -0.698   7.391  -7.007
   83   1HD2  LEU  12          HD23      LEU  12  -0.877   5.440  -3.245
   84   2HD2  LEU  12          HD22      LEU  12  -1.909   6.860  -3.379
   85   3HD2  LEU  12          HD21      LEU  12  -2.210   5.455  -4.395
   86    H    SER  13           HN       SER  13   1.861   3.449  -3.871
   87    HA   SER  13           HA       SER  13   4.699   3.129  -4.569
   88   1HB   SER  13           HB2      SER  13   4.506   1.766  -2.749
   89   2HB   SER  13           HB1      SER  13   2.746   1.651  -2.933
   90    HG   SER  13           HG1      SER  13   4.604  -0.080  -3.732
   91    HA   PRO  14           HA       PRO  14   3.899   1.431  -8.600
   92   1HB   PRO  14           HB2      PRO  14   5.865  -0.610  -8.561
   93   2HB   PRO  14           HB1      PRO  14   6.034   1.013  -9.230
   94   1HG   PRO  14           HG2      PRO  14   7.172  -0.073  -6.747
   95   2HG   PRO  14           HG1      PRO  14   7.551   1.451  -7.555
   96   1HD   PRO  14           HD1      PRO  14   6.040   1.135  -5.157
   97   2HD   PRO  14           HD2      PRO  14   6.234   2.620  -6.111
   98    H    ALA  15           HN       ALA  15   4.387  -0.840  -5.942
   99    HA   ALA  15           HA       ALA  15   2.931  -2.986  -7.318
  100   1HB   ALA  15           HB3      ALA  15   4.852  -3.393  -5.743
  101   2HB   ALA  15           HB2      ALA  15   3.809  -2.867  -4.426
  102   3HB   ALA  15           HB1      ALA  15   3.398  -4.307  -5.354
  103    H    ILE  16           HN       ILE  16   1.672  -0.311  -6.436
  104    HA   ILE  16           HA       ILE  16  -0.380  -1.254  -4.536
  105    HB   ILE  16           HB       ILE  16   0.608   1.123  -4.595
  106   1HG1  ILE  16          HG12      ILE  16  -2.409   0.755  -4.727
  107   2HG1  ILE  16          HG11      ILE  16  -1.416   0.475  -3.302
  108   1HG2  ILE  16          HG23      ILE  16   0.193   1.186  -7.163
  109   2HG2  ILE  16          HG22      ILE  16  -1.474   1.556  -6.736
  110   3HG2  ILE  16          HG21      ILE  16  -0.177   2.631  -6.235
  111   1HD1  ILE  16           HD1      ILE  16  -0.594   2.933  -3.702
  112   2HD1  ILE  16           HD3      ILE  16  -2.058   3.082  -4.669
  113   3HD1  ILE  16           HD2      ILE  16  -2.170   2.675  -2.959
  114    NH1  ARG  17           NH1      ARG  17  -3.135   3.405 -12.674
  115    NH2  ARG  17           NH2      ARG  17  -4.170   1.545 -13.507
  116    H    ARG  17           HN       ARG  17  -0.047  -0.525  -7.948
  117    HA   ARG  17           HA       ARG  17  -2.871  -0.749  -8.553
  118   1HB   ARG  17           HB2      ARG  17  -0.484  -1.095 -10.387
  119   2HB   ARG  17           HB1      ARG  17  -2.145  -0.804 -10.893
  120   1HG   ARG  17           HG2      ARG  17  -1.878   1.276  -9.218
  121   2HG   ARG  17           HG1      ARG  17  -0.184   1.079  -9.651
  122   1HD   ARG  17           HD2      ARG  17  -1.225   2.624 -11.234
  123   2HD   ARG  17           HD1      ARG  17  -0.856   1.120 -12.074
  124    HE   ARG  17           HE       ARG  17  -3.465   0.781 -11.163
  125   1HH1  ARG  17          HH11      ARG  17  -2.549   3.818 -11.979
  126   2HH1  ARG  17          HH12      ARG  17  -3.515   3.967 -13.409
  127   1HH2  ARG  17          HH21      ARG  17  -4.358   0.565 -13.435
  128   2HH2  ARG  17          HH22      ARG  17  -4.566   2.076 -14.255
  129    NH1  ARG  18           NH1      ARG  18   4.519  -5.931 -11.205
  130    NH2  ARG  18           NH2      ARG  18   4.586  -6.468  -8.986
  131    H    ARG  18           HN       ARG  18  -0.143  -2.969  -8.522
  132    HA   ARG  18           HA       ARG  18  -1.600  -5.182  -9.703
  133   1HB   ARG  18           HB2      ARG  18   0.863  -5.289  -7.942
  134   2HB   ARG  18           HB1      ARG  18   0.319  -6.526  -9.070
  135   1HG   ARG  18           HG2      ARG  18   0.444  -4.140 -10.572
  136   2HG   ARG  18           HG1      ARG  18   1.909  -4.158  -9.595
  137   1HD   ARG  18           HD2      ARG  18   0.940  -6.452 -11.339
  138   2HD   ARG  18           HD1      ARG  18   2.252  -5.349 -11.745
  139    HE   ARG  18           HE       ARG  18   2.349  -7.459  -9.667
  140   1HH1  ARG  18          HH11      ARG  18   3.994  -5.857 -12.053
  141   2HH1  ARG  18          HH12      ARG  18   5.487  -5.683 -11.195
  142   1HH2  ARG  18          HH21      ARG  18   4.112  -6.795  -8.170
  143   2HH2  ARG  18          HH22      ARG  18   5.556  -6.228  -8.939
  144    H    LEU  19           HN       LEU  19  -1.556  -3.736  -6.631
  145    HA   LEU  19           HA       LEU  19  -2.131  -6.017  -4.981
  146   1HB   LEU  19           HB2      LEU  19  -1.444  -3.698  -4.201
  147   2HB   LEU  19           HB1      LEU  19  -3.094  -3.183  -4.528
  148    HG   LEU  19           HG       LEU  19  -3.600  -5.410  -3.063
  149   1HD1  LEU  19          HD12      LEU  19  -1.144  -5.797  -2.744
  150   2HD1  LEU  19          HD11      LEU  19  -1.038  -4.244  -1.922
  151   3HD1  LEU  19          HD13      LEU  19  -1.993  -5.546  -1.222
  152   1HD2  LEU  19          HD21      LEU  19  -2.925  -2.653  -1.978
  153   2HD2  LEU  19          HD23      LEU  19  -4.484  -3.147  -2.630
  154   3HD2  LEU  19          HD22      LEU  19  -3.885  -3.864  -1.136
  155    H    LEU  20           HN       LEU  20  -4.313  -3.526  -6.303
  156    HA   LEU  20           HA       LEU  20  -6.735  -4.800  -5.537
  157   1HB   LEU  20           HB2      LEU  20  -6.170  -2.992  -7.902
  158   2HB   LEU  20           HB1      LEU  20  -7.779  -3.414  -7.331
  159    HG   LEU  20           HG       LEU  20  -5.854  -2.367  -5.303
  160   1HD1  LEU  20          HD12      LEU  20  -7.114  -0.718  -7.512
  161   2HD1  LEU  20          HD11      LEU  20  -6.602  -0.014  -5.981
  162   3HD1  LEU  20          HD13      LEU  20  -5.417  -0.770  -7.042
  163   1HD2  LEU  20          HD21      LEU  20  -8.376  -3.103  -5.077
  164   2HD2  LEU  20          HD23      LEU  20  -7.819  -1.659  -4.237
  165   3HD2  LEU  20          HD22      LEU  20  -8.704  -1.509  -5.752
  166    H    ALA  21           HN       ALA  21  -4.667  -5.236  -8.339
  167    HA   ALA  21           HA       ALA  21  -6.504  -6.905  -9.817
  168   1HB   ALA  21           HB1      ALA  21  -4.203  -5.677 -10.477
  169   2HB   ALA  21           HB3      ALA  21  -3.574  -7.291 -10.160
  170   3HB   ALA  21           HB2      ALA  21  -4.824  -7.056 -11.377
  171    H    GLU  22           HN       GLU  22  -4.199  -7.467  -7.273
  172    HA   GLU  22           HA       GLU  22  -4.061 -10.344  -7.603
  173   1HB   GLU  22           HB2      GLU  22  -2.491  -8.692  -6.282
  174   2HB   GLU  22           HB1      GLU  22  -3.612  -8.996  -4.961
  175   1HG   GLU  22           HG2      GLU  22  -2.118 -11.124  -6.537
  176   2HG   GLU  22           HG1      GLU  22  -1.742 -10.610  -4.894
  177    H    HIS  23           HN       HIS  23  -5.940  -8.170  -5.538
  178    HA   HIS  23           HA       HIS  23  -7.512 -10.486  -4.541
  179   1HB   HIS  23           HB2      HIS  23  -7.741  -7.580  -3.729
  180   2HB   HIS  23           HB1      HIS  23  -8.376  -8.979  -2.869
  181    HD1  HIS  23           HD1      HIS  23  -6.129 -10.732  -2.575
  182    HD2  HIS  23           HD2      HIS  23  -5.497  -6.727  -2.447
  183    HE1  HIS  23           HE1      HIS  23  -4.012 -10.472  -1.419
  184    H    ASN  24           HN       ASN  24  -7.600  -8.278  -7.031
  185    HA   ASN  24           HA       ASN  24  -9.304  -7.573  -8.493
  186   1HB   ASN  24           HB2      ASN  24 -10.676 -10.046  -7.402
  187   2HB   ASN  24           HB1      ASN  24 -11.065  -9.225  -8.911
  188   1HD2  ASN  24          HD22      ASN  24  -8.704 -12.077  -9.595
  189   2HD2  ASN  24          HD21      ASN  24 -10.215 -11.968  -8.829
  190    H    LEU  25           HN       LEU  25  -9.599  -5.748  -6.948
  191    HA   LEU  25           HA       LEU  25 -12.413  -5.734  -5.978
  192   1HB   LEU  25           HB2      LEU  25  -9.946  -5.286  -4.355
  193   2HB   LEU  25           HB1      LEU  25 -11.343  -4.273  -4.015
  194    HG   LEU  25           HG       LEU  25 -11.765  -7.231  -4.301
  195   1HD1  LEU  25          HD12      LEU  25 -10.574  -5.824  -1.890
  196   2HD1  LEU  25          HD11      LEU  25 -11.316  -7.420  -1.817
  197   3HD1  LEU  25          HD13      LEU  25  -9.870  -7.164  -2.790
  198   1HD2  LEU  25          HD22      LEU  25 -13.674  -5.667  -4.009
  199   2HD2  LEU  25          HD21      LEU  25 -13.518  -6.745  -2.626
  200   3HD2  LEU  25          HD23      LEU  25 -12.956  -5.081  -2.512
  201    H    ASP  26           HN       ASP  26 -13.343  -3.630  -5.867
  202    HA   ASP  26           HA       ASP  26 -12.053  -1.735  -7.740
  203   1HB   ASP  26           HB2      ASP  26 -14.573  -2.507  -7.712
  204   2HB   ASP  26           HB1      ASP  26 -14.733  -1.254  -6.484
  205    H    ALA  27           HN       ALA  27 -10.739  -0.247  -6.899
  206    HA   ALA  27           HA       ALA  27 -10.526   0.429  -4.160
  207   1HB   ALA  27           HB3      ALA  27  -9.766   1.960  -6.654
  208   2HB   ALA  27           HB2      ALA  27  -9.357   2.514  -5.033
  209   3HB   ALA  27           HB1      ALA  27  -8.717   0.985  -5.628
  210    H    SER  28           HN       SER  28 -12.543   1.772  -6.697
  211    HA   SER  28           HA       SER  28 -13.408   4.134  -5.377
  212   1HB   SER  28           HB2      SER  28 -15.436   2.659  -6.981
  213   2HB   SER  28           HB1      SER  28 -14.864   4.331  -7.144
  214    HG   SER  28           HG1      SER  28 -12.760   3.160  -7.665
  215    H    ALA  29           HN       ALA  29 -14.077   0.834  -4.732
  216    HA   ALA  29           HA       ALA  29 -16.542   1.397  -3.222
  217   1HB   ALA  29           HB3      ALA  29 -14.909  -1.139  -3.517
  218   2HB   ALA  29           HB2      ALA  29 -16.460  -1.032  -2.691
  219   3HB   ALA  29           HB1      ALA  29 -16.361  -0.729  -4.423
  220    H    ILE  30           HN       ILE  30 -13.171   1.302  -2.662
  221    HA   ILE  30           HA       ILE  30 -13.482   0.876   0.245
  222    HB   ILE  30           HB       ILE  30 -10.959   1.566  -1.272
  223   1HG1  ILE  30          HG12      ILE  30 -11.789  -0.393  -2.360
  224   2HG1  ILE  30          HG11      ILE  30 -10.584  -0.971  -1.224
  225   1HG2  ILE  30          HG22      ILE  30 -11.584   0.510   1.486
  226   2HG2  ILE  30          HG21      ILE  30 -10.049   0.110   0.729
  227   3HG2  ILE  30          HG23      ILE  30 -10.479   1.790   1.012
  228   1HD1  ILE  30           HD1      ILE  30 -12.568  -1.285   0.421
  229   2HD1  ILE  30           HD3      ILE  30 -13.598  -1.103  -0.994
  230   3HD1  ILE  30           HD2      ILE  30 -12.439  -2.424  -0.911
  231    H    LYS  31           HN       LYS  31 -13.060   2.448   1.795
  232    HA   LYS  31           HA       LYS  31 -13.520   5.201   0.907
  233   1HB   LYS  31           HB2      LYS  31 -13.000   4.084   3.676
  234   2HB   LYS  31           HB1      LYS  31 -13.554   5.715   3.331
  235   1HG   LYS  31           HG2      LYS  31 -15.061   3.261   2.371
  236   2HG   LYS  31           HG1      LYS  31 -15.362   3.972   3.950
  237   1HD   LYS  31           HD2      LYS  31 -16.692   5.538   3.010
  238   2HD   LYS  31           HD1      LYS  31 -15.372   6.086   1.990
  239   1HE   LYS  31           HE2      LYS  31 -17.299   5.326   0.634
  240   2HE   LYS  31           HE1      LYS  31 -15.883   4.323   0.349
  241   1HZ   LYS  31           HZ3      LYS  31 -16.929   2.923   2.266
  242   2HZ   LYS  31           HZ2      LYS  31 -18.363   3.680   1.763
  243   3HZ   LYS  31           HZ1      LYS  31 -17.467   2.744   0.665
  244    H    GLY  32           HN       GLY  32 -11.833   6.273   0.066
  245   1HA   GLY  32           HA2      GLY  32  -9.110   5.775   1.114
  246   2HA   GLY  32           HA1      GLY  32  -9.504   6.724  -0.317
  247    H    THR  33           HN       THR  33  -9.448   6.742   3.197
  248    HA   THR  33           HA       THR  33  -9.954   9.661   3.239
  249    HB   THR  33           HB       THR  33  -9.689   9.183   5.825
  250    HG1  THR  33           HG1      THR  33  -8.920   6.958   4.751
  251   1HG2  THR  33          HG23      THR  33 -11.882   8.374   3.959
  252   2HG2  THR  33          HG22      THR  33 -11.953   7.705   5.585
  253   3HG2  THR  33          HG21      THR  33 -11.954   9.450   5.351
  254    H    GLY  34           HN       GLY  34  -7.599   8.974   1.940
  255   1HA   GLY  34           HA2      GLY  34  -5.424   9.430   3.907
  256   2HA   GLY  34           HA1      GLY  34  -5.199   8.979   2.220
  257    H    VAL  35           HN       VAL  35  -3.595  10.850   2.620
  258    HA   VAL  35           HA       VAL  35  -4.350  13.533   2.909
  259    HB   VAL  35           HB       VAL  35  -2.180  12.229   1.272
  260   1HG1  VAL  35          HG11      VAL  35  -2.970  15.133   1.470
  261   2HG1  VAL  35          HG13      VAL  35  -1.281  14.687   1.250
  262   3HG1  VAL  35          HG12      VAL  35  -2.477  14.221   0.046
  263   1HG2  VAL  35          HG23      VAL  35  -2.246  12.372   3.869
  264   2HG2  VAL  35          HG22      VAL  35  -0.775  12.902   3.059
  265   3HG2  VAL  35          HG21      VAL  35  -1.936  14.090   3.639
  266    H    GLY  36           HN       GLY  36  -5.863  14.639   1.845
  267   1HA   GLY  36           HA2      GLY  36  -6.982  15.605   0.004
  268   2HA   GLY  36           HA1      GLY  36  -5.844  14.784  -1.060
  269    H    GLY  37           HN       GLY  37  -7.530  12.925   1.309
  270   1HA   GLY  37           HA2      GLY  37  -9.211  11.297   1.102
  271   2HA   GLY  37           HA1      GLY  37  -9.859  12.258  -0.226
  272    NH1  ARG  38           NH1      ARG  38  -4.881  13.404  -5.707
  273    NH2  ARG  38           NH2      ARG  38  -2.738  14.091  -5.309
  274    H    ARG  38           HN       ARG  38  -6.593  10.995  -0.164
  275    HA   ARG  38           HA       ARG  38  -7.210   9.453  -2.619
  276   1HB   ARG  38           HB2      ARG  38  -4.568  10.110  -1.288
  277   2HB   ARG  38           HB1      ARG  38  -4.743   9.259  -2.820
  278   1HG   ARG  38           HG2      ARG  38  -5.874  11.199  -3.806
  279   2HG   ARG  38           HG1      ARG  38  -5.818  12.045  -2.263
  280   1HD   ARG  38           HD2      ARG  38  -3.270  11.769  -2.362
  281   2HD   ARG  38           HD1      ARG  38  -3.488  11.272  -4.040
  282    HE   ARG  38           HE       ARG  38  -4.169  13.974  -2.970
  283   1HH1  ARG  38          HH11      ARG  38  -5.737  13.022  -5.357
  284   2HH1  ARG  38          HH12      ARG  38  -4.798  13.641  -6.674
  285   1HH2  ARG  38          HH21      ARG  38  -1.987  14.223  -4.662
  286   2HH2  ARG  38          HH22      ARG  38  -2.619  14.338  -6.270
  287    H    LEU  39           HN       LEU  39  -6.225   7.274  -2.841
  288    HA   LEU  39           HA       LEU  39  -6.899   5.662  -0.492
  289   1HB   LEU  39           HB2      LEU  39  -7.482   4.974  -2.832
  290   2HB   LEU  39           HB1      LEU  39  -5.766   4.783  -3.162
  291    HG   LEU  39           HG       LEU  39  -5.621   3.111  -1.302
  292   1HD1  LEU  39          HD13      LEU  39  -8.500   3.896  -1.046
  293   2HD1  LEU  39          HD12      LEU  39  -8.090   2.208  -0.766
  294   3HD1  LEU  39          HD11      LEU  39  -7.344   3.468   0.209
  295   1HD2  LEU  39          HD21      LEU  39  -6.166   2.549  -3.759
  296   2HD2  LEU  39          HD23      LEU  39  -6.554   1.316  -2.565
  297   3HD2  LEU  39          HD22      LEU  39  -7.829   2.337  -3.222
  298    H    THR  40           HN       THR  40  -5.514   4.715   0.899
  299    HA   THR  40           HA       THR  40  -2.582   5.075   0.390
  300    HB   THR  40           HB       THR  40  -2.278   5.356   2.778
  301    HG1  THR  40           HG1      THR  40  -4.802   4.135   2.665
  302   1HG2  THR  40          HG21      THR  40  -3.848   7.142   1.406
  303   2HG2  THR  40          HG23      THR  40  -4.959   6.635   2.673
  304   3HG2  THR  40          HG22      THR  40  -3.408   7.349   3.097
  305    NH1  ARG  41           NH2      ARG  41   3.238  -0.048   4.444
  306    NH2  ARG  41           NH1      ARG  41   3.491   1.929   3.326
  307    H    ARG  41           HN       ARG  41  -1.798   3.448   2.590
  308    HA   ARG  41           HA       ARG  41  -2.324   0.775   1.389
  309   1HB   ARG  41           HB2      ARG  41   0.042   1.807   1.858
  310   2HB   ARG  41           HB1      ARG  41  -0.266   1.288   3.512
  311   1HG   ARG  41           HG2      ARG  41  -0.938  -0.990   2.392
  312   2HG   ARG  41           HG1      ARG  41  -0.010  -0.388   1.022
  313   1HD   ARG  41           HD2      ARG  41   0.997  -0.736   3.868
  314   2HD   ARG  41           HD1      ARG  41   1.475  -1.688   2.463
  315    HE   ARG  41           HE       ARG  41   2.309   0.622   1.560
  316   1HH1  ARG  41          HH21      ARG  41   2.835  -0.962   4.487
  317   2HH1  ARG  41          HH22      ARG  41   3.835   0.270   5.180
  318   1HH2  ARG  41          HH11      ARG  41   3.277   2.497   2.530
  319   2HH2  ARG  41          HH12      ARG  41   4.092   2.281   4.043
  320    H    GLU  42           HN       GLU  42  -2.824   2.645   4.257
  321    HA   GLU  42           HA       GLU  42  -3.601   0.268   5.837
  322   1HB   GLU  42           HB2      GLU  42  -3.868   3.149   6.689
  323   2HB   GLU  42           HB1      GLU  42  -3.708   1.723   7.709
  324   1HG   GLU  42           HG2      GLU  42  -1.412   1.363   6.763
  325   2HG   GLU  42           HG1      GLU  42  -1.579   2.873   5.872
  326    H    ASP  43           HN       ASP  43  -5.129   0.912   3.477
  327    HA   ASP  43           HA       ASP  43  -7.765   1.608   4.724
  328   1HB   ASP  43           HB2      ASP  43  -6.537   2.341   2.103
  329   2HB   ASP  43           HB1      ASP  43  -8.280   2.083   2.153
  330    H    VAL  44           HN       VAL  44  -6.544  -0.029   1.806
  331    HA   VAL  44           HA       VAL  44  -8.701  -1.735   1.346
  332    HB   VAL  44           HB       VAL  44  -5.831  -2.645   1.076
  333   1HG1  VAL  44          HG13      VAL  44  -8.257  -3.830   0.400
  334   2HG1  VAL  44          HG12      VAL  44  -7.743  -3.080  -1.108
  335   3HG1  VAL  44          HG11      VAL  44  -6.693  -4.239  -0.297
  336   1HG2  VAL  44          HG22      VAL  44  -7.414  -0.652  -0.571
  337   2HG2  VAL  44          HG21      VAL  44  -5.840  -0.414   0.183
  338   3HG2  VAL  44          HG23      VAL  44  -6.000  -1.491  -1.200
  339    H    GLU  45           HN       GLU  45  -6.565  -1.736   4.002
  340    HA   GLU  45           HA       GLU  45  -6.755  -4.531   4.717
  341   1HB   GLU  45           HB2      GLU  45  -6.120  -2.069   6.357
  342   2HB   GLU  45           HB1      GLU  45  -5.995  -3.713   6.970
  343   1HG   GLU  45           HG2      GLU  45  -4.673  -3.496   4.396
  344   2HG   GLU  45           HG1      GLU  45  -4.030  -2.300   5.520
  345    H    LYS  46           HN       LYS  46  -8.171  -1.730   6.403
  346    HA   LYS  46           HA       LYS  46  -9.991  -3.042   8.026
  347   1HB   LYS  46           HB2      LYS  46  -9.587  -0.521   7.793
  348   2HB   LYS  46           HB1      LYS  46 -10.773  -0.563   6.494
  349   1HG   LYS  46           HG2      LYS  46 -12.147  -1.942   8.368
  350   2HG   LYS  46           HG1      LYS  46 -11.158  -0.943   9.428
  351   1HD   LYS  46           HD2      LYS  46 -11.919   1.083   8.224
  352   2HD   LYS  46           HD1      LYS  46 -12.915   0.082   7.173
  353   1HE   LYS  46           HE2      LYS  46 -14.199  -0.710   9.121
  354   2HE   LYS  46           HE1      LYS  46 -13.188   0.251  10.192
  355   1HZ   LYS  46           HZ3      LYS  46 -14.254   1.823   8.077
  356   2HZ   LYS  46           HZ2      LYS  46 -15.490   1.057   8.954
  357   3HZ   LYS  46           HZ1      LYS  46 -14.371   2.051   9.756
  358    H    HIS  47           HN       HIS  47 -10.209  -2.523   4.579
  359    HA   HIS  47           HA       HIS  47 -12.976  -3.460   4.407
  360   1HB   HIS  47           HB2      HIS  47 -12.471  -2.003   2.654
  361   2HB   HIS  47           HB1      HIS  47 -10.856  -2.673   2.432
  362    HD1  HIS  47           HD1      HIS  47 -14.371  -3.516   1.718
  363    HD2  HIS  47           HD2      HIS  47 -10.675  -4.832   0.687
  364    HE1  HIS  47           HE1      HIS  47 -14.757  -5.124  -0.058
  365    H    LEU  48           HN       LEU  48  -9.794  -4.749   3.490
  366    HA   LEU  48           HA       LEU  48 -10.595  -7.245   2.483
  367   1HB   LEU  48           HB2      LEU  48  -8.142  -6.234   3.848
  368   2HB   LEU  48           HB1      LEU  48  -8.312  -7.975   3.667
  369    HG   LEU  48           HG       LEU  48  -8.839  -6.186   1.304
  370   1HD1  LEU  48          HD13      LEU  48  -6.152  -7.007   2.438
  371   2HD1  LEU  48          HD12      LEU  48  -6.365  -6.621   0.733
  372   3HD1  LEU  48          HD11      LEU  48  -6.679  -5.396   1.958
  373   1HD2  LEU  48          HD23      LEU  48  -9.103  -8.850   1.640
  374   2HD2  LEU  48          HD22      LEU  48  -8.618  -8.144   0.101
  375   3HD2  LEU  48          HD21      LEU  48  -7.401  -8.799   1.192
  376    H    ALA  49           HN       ALA  49 -10.214  -6.204   5.821
  377    HA   ALA  49           HA       ALA  49 -10.952  -8.901   6.799
  378   1HB   ALA  49           HB3      ALA  49  -9.225  -7.061   7.800
  379   2HB   ALA  49           HB2      ALA  49 -10.673  -6.664   8.719
  380   3HB   ALA  49           HB1      ALA  49 -10.006  -8.293   8.787
  381    H    LYS  50           HN       LYS  50 -12.646  -9.006   8.527
  382    HA   LYS  50           HA       LYS  50 -15.003  -7.426   7.647
  383   1HB   LYS  50           HB2      LYS  50 -14.578 -10.131   8.524
  384   2HB   LYS  50           HB1      LYS  50 -15.751  -9.354   9.580
  385   1HG   LYS  50           HG2      LYS  50 -17.045  -8.620   7.597
  386   2HG   LYS  50           HG1      LYS  50 -15.874  -9.407   6.545
  387   1HD   LYS  50           HD2      LYS  50 -16.374 -11.555   7.883
  388   2HD   LYS  50           HD1      LYS  50 -17.773 -10.695   8.516
  389   1HE   LYS  50           HE2      LYS  50 -18.363 -10.187   6.060
  390   2HE   LYS  50           HE1      LYS  50 -17.168 -11.408   5.639
  391   1HZ   LYS  50           HZ2      LYS  50 -18.539 -12.757   7.425
  392   2HZ   LYS  50           HZ1      LYS  50 -19.774 -11.714   6.905
  393   3HZ   LYS  50           HZ3      LYS  50 -18.982 -12.716   5.786
  394    H    ALA  51           HN       ALA  51 -13.186  -8.266  10.558
  395    HA   ALA  51           HA       ALA  51 -14.263  -5.818  11.847
  396   1HB   ALA  51           HB1      ALA  51 -15.398  -8.223  12.442
  397   2HB   ALA  51           HB3      ALA  51 -14.106  -8.165  13.636
  398   3HB   ALA  51           HB2      ALA  51 -15.306  -6.879  13.576
   
 Raw file had 398 H/Q atoms
  Start of MODEL   25
    1    OH   TYR   1           OH       TYR   1  25.711  14.143   0.726
    2   1H    TYR   1           HT3      TYR   1  22.686   6.865  -0.050
    3   2H    TYR   1           HT2      TYR   1  22.852   8.049   1.155
    4   3H    TYR   1           HT1      TYR   1  22.440   8.502  -0.429
    5    HA   TYR   1           HA       TYR   1  24.550   8.678  -1.000
    6   1HB   TYR   1           HB2      TYR   1  24.715   8.212   1.930
    7   2HB   TYR   1           HB1      TYR   1  26.215   8.037   1.023
    8    HD1  TYR   1           HD2      TYR   1  23.324  10.312   0.382
    9    HD2  TYR   1           HD1      TYR   1  27.423  10.021   1.482
   10    HE1  TYR   1           HE2      TYR   1  23.532  12.751   0.255
   11    HE2  TYR   1           HE1      TYR   1  27.629  12.461   1.356
   12    HH   TYR   1           HH       TYR   1  24.950  14.528   1.165
   13    H    ALA   2           HN       ALA   2  25.000   7.192  -2.527
   14    HA   ALA   2           HA       ALA   2  26.402   4.744  -1.671
   15   1HB   ALA   2           HB2      ALA   2  23.832   4.329  -1.884
   16   2HB   ALA   2           HB1      ALA   2  24.134   4.409  -3.617
   17   3HB   ALA   2           HB3      ALA   2  24.940   3.186  -2.637
   18    H    SER   3           HN       SER   3  26.622   3.422  -4.008
   19    HA   SER   3           HA       SER   3  28.216   5.311  -5.621
   20   1HB   SER   3           HB2      SER   3  27.915   2.296  -5.767
   21   2HB   SER   3           HB1      SER   3  29.033   3.253  -6.759
   22    HG   SER   3           HG1      SER   3  28.942   2.982  -3.943
   23    H    LEU   4           HN       LEU   4  26.953   2.614  -7.254
   24    HA   LEU   4           HA       LEU   4  26.007   3.883  -9.511
   25   1HB   LEU   4           HB2      LEU   4  26.080   1.354  -8.935
   26   2HB   LEU   4           HB1      LEU   4  24.440   1.593  -8.342
   27    HG   LEU   4           HG       LEU   4  24.175   2.838 -10.700
   28   1HD1  LEU   4          HD13      LEU   4  26.645   2.350 -11.170
   29   2HD1  LEU   4          HD12      LEU   4  26.183   0.658 -11.325
   30   3HD1  LEU   4          HD11      LEU   4  25.518   1.857 -12.430
   31   1HD2  LEU   4          HD22      LEU   4  24.122  -0.155 -10.199
   32   2HD2  LEU   4          HD21      LEU   4  22.781   0.972 -10.019
   33   3HD2  LEU   4          HD23      LEU   4  23.415   0.605 -11.621
   34    H    GLU   5           HN       GLU   5  24.385   5.213 -10.007
   35    HA   GLU   5           HA       GLU   5  22.818   6.620  -8.225
   36   1HB   GLU   5           HB2      GLU   5  21.083   6.602 -10.248
   37   2HB   GLU   5           HB1      GLU   5  22.616   7.457 -10.364
   38   1HG   GLU   5           HG2      GLU   5  23.609   5.754 -11.663
   39   2HG   GLU   5           HG1      GLU   5  22.424   4.552 -11.156
   40    H    GLU   6           HN       GLU   6  21.842   5.568  -6.555
   41    HA   GLU   6           HA       GLU   6  19.463   3.949  -7.242
   42   1HB   GLU   6           HB2      GLU   6  21.692   2.562  -6.723
   43   2HB   GLU   6           HB1      GLU   6  21.179   2.852  -5.065
   44   1HG   GLU   6           HG2      GLU   6  20.037   0.867  -5.571
   45   2HG   GLU   6           HG1      GLU   6  18.821   2.082  -5.960
   46    H    GLN   7           HN       GLN   7  17.795   4.480  -5.961
   47    HA   GLN   7           HA       GLN   7  18.256   6.388  -3.773
   48   1HB   GLN   7           HB2      GLN   7  15.763   5.223  -5.022
   49   2HB   GLN   7           HB1      GLN   7  15.713   6.317  -3.645
   50   1HG   GLN   7           HG2      GLN   7  16.762   8.083  -4.900
   51   2HG   GLN   7           HG1      GLN   7  17.166   6.989  -6.220
   52   1HE2  GLN   7          HE22      GLN   7  14.161   8.686  -7.426
   53   2HE2  GLN   7          HE21      GLN   7  15.816   9.001  -7.220
   54    H    ASN   8           HN       ASN   8  16.252   5.784  -2.003
   55    HA   ASN   8           HA       ASN   8  17.054   3.110  -0.909
   56   1HB   ASN   8           HB2      ASN   8  16.378   5.499   0.804
   57   2HB   ASN   8           HB1      ASN   8  17.203   4.016   1.277
   58   1HD2  ASN   8          HD22      ASN   8  19.560   6.975   0.451
   59   2HD2  ASN   8          HD21      ASN   8  18.054   7.003   1.234
   60    H    ASN   9           HN       ASN   9  15.083   2.386  -2.023
   61    HA   ASN   9           HA       ASN   9  12.545   3.317  -0.796
   62   1HB   ASN   9           HB2      ASN   9  13.069   2.735  -3.364
   63   2HB   ASN   9           HB1      ASN   9  12.575   1.133  -2.823
   64   1HD2  ASN   9          HD22      ASN   9   9.237   2.298  -1.914
   65   2HD2  ASN   9          HD21      ASN   9  10.472   1.315  -1.291
   66    H    ASP  10           HN       ASP  10  11.900   2.327   1.002
   67    HA   ASP  10           HA       ASP  10  12.220  -0.635   1.195
   68   1HB   ASP  10           HB2      ASP  10  13.426   1.408   2.907
   69   2HB   ASP  10           HB1      ASP  10  12.474   0.235   3.814
   70    H    ALA  11           HN       ALA  11  10.171   1.917   1.164
   71    HA   ALA  11           HA       ALA  11   8.346   1.008   3.281
   72   1HB   ALA  11           HB2      ALA  11   8.726   3.444   2.299
   73   2HB   ALA  11           HB1      ALA  11   7.503   2.925   1.143
   74   3HB   ALA  11           HB3      ALA  11   7.135   2.942   2.865
   75    H    LEU  12           HN       LEU  12   5.994   1.658   1.548
   76    HA   LEU  12           HA       LEU  12   5.092  -0.895   0.906
   77   1HB   LEU  12           HB2      LEU  12   4.467   1.727  -0.471
   78   2HB   LEU  12           HB1      LEU  12   3.565   0.241  -0.749
   79    HG   LEU  12           HG       LEU  12   3.976   1.021   2.096
   80   1HD1  LEU  12          HD13      LEU  12   2.349   2.603   0.109
   81   2HD1  LEU  12          HD12      LEU  12   1.833   2.490   1.788
   82   3HD1  LEU  12          HD11      LEU  12   3.396   3.198   1.390
   83   1HD2  LEU  12          HD23      LEU  12   2.678  -0.994   1.222
   84   2HD2  LEU  12          HD22      LEU  12   1.783   0.046   2.325
   85   3HD2  LEU  12          HD21      LEU  12   1.493   0.143   0.592
   86    H    SER  13           HN       SER  13   4.915  -2.061  -1.095
   87    HA   SER  13           HA       SER  13   7.330  -1.729  -2.766
   88   1HB   SER  13           HB2      SER  13   5.859  -4.025  -3.574
   89   2HB   SER  13           HB1      SER  13   7.334  -3.995  -2.588
   90    HG   SER  13           HG1      SER  13   5.628  -4.879  -1.387
   91    HA   PRO  14           HA       PRO  14   5.327  -0.212  -6.367
   92   1HB   PRO  14           HB2      PRO  14   6.102  -2.267  -8.210
   93   2HB   PRO  14           HB1      PRO  14   6.822  -0.670  -8.004
   94   1HG   PRO  14           HG2      PRO  14   7.899  -3.246  -7.166
   95   2HG   PRO  14           HG1      PRO  14   8.670  -1.662  -7.064
   96   1HD   PRO  14           HD1      PRO  14   7.620  -3.206  -4.894
   97   2HD   PRO  14           HD2      PRO  14   8.254  -1.553  -4.825
   98    H    ALA  15           HN       ALA  15   4.939  -3.591  -5.586
   99    HA   ALA  15           HA       ALA  15   2.725  -4.158  -7.321
  100   1HB   ALA  15           HB3      ALA  15   4.197  -5.796  -5.962
  101   2HB   ALA  15           HB2      ALA  15   3.112  -5.441  -4.623
  102   3HB   ALA  15           HB1      ALA  15   2.481  -6.164  -6.099
  103    H    ILE  16           HN       ILE  16   2.973  -2.189  -4.579
  104    HA   ILE  16           HA       ILE  16   0.576  -2.454  -3.199
  105    HB   ILE  16           HB       ILE  16   2.377  -0.712  -2.802
  106   1HG1  ILE  16          HG12      ILE  16  -0.548   0.103  -2.879
  107   2HG1  ILE  16          HG11      ILE  16   0.315  -0.610  -1.523
  108   1HG2  ILE  16          HG23      ILE  16   2.009   0.012  -5.353
  109   2HG2  ILE  16          HG22      ILE  16   0.851   1.112  -4.614
  110   3HG2  ILE  16          HG21      ILE  16   2.546   1.168  -4.140
  111   1HD1  ILE  16           HD1      ILE  16   1.903   1.516  -1.917
  112   2HD1  ILE  16           HD3      ILE  16   0.415   2.186  -2.577
  113   3HD1  ILE  16           HD2      ILE  16   0.462   1.616  -0.911
  114    NH1  ARG  17           NH2      ARG  17  -3.687   1.635  -6.481
  115    NH2  ARG  17           NH1      ARG  17  -4.673   2.046  -8.501
  116    H    ARG  17           HN       ARG  17   1.069  -1.299  -6.446
  117    HA   ARG  17           HA       ARG  17  -1.672  -0.295  -6.718
  118   1HB   ARG  17           HB2      ARG  17   0.692  -0.590  -8.544
  119   2HB   ARG  17           HB1      ARG  17  -0.902  -0.320  -9.237
  120   1HG   ARG  17           HG2      ARG  17  -0.120   1.436  -6.954
  121   2HG   ARG  17           HG1      ARG  17   0.705   1.713  -8.483
  122   1HD   ARG  17           HD2      ARG  17  -1.571   2.950  -8.010
  123   2HD   ARG  17           HD1      ARG  17  -1.285   2.261  -9.606
  124    HE   ARG  17           HE       ARG  17  -2.603   0.238  -8.742
  125   1HH1  ARG  17          HH21      ARG  17  -2.900   1.298  -5.965
  126   2HH1  ARG  17          HH22      ARG  17  -4.489   1.986  -5.997
  127   1HH2  ARG  17          HH11      ARG  17  -4.625   2.016  -9.500
  128   2HH2  ARG  17          HH12      ARG  17  -5.491   2.404  -8.052
  129    NH1  ARG  18           NH1      ARG  18  -2.941  -4.558 -12.565
  130    NH2  ARG  18           NH2      ARG  18  -1.809  -6.132 -13.773
  131    H    ARG  18           HN       ARG  18   0.189  -3.021  -8.040
  132    HA   ARG  18           HA       ARG  18  -2.044  -4.247  -9.359
  133   1HB   ARG  18           HB2      ARG  18   0.544  -5.436  -8.327
  134   2HB   ARG  18           HB1      ARG  18  -0.596  -6.294  -9.356
  135   1HG   ARG  18           HG2      ARG  18  -0.020  -3.673 -10.458
  136   2HG   ARG  18           HG1      ARG  18   1.472  -4.567 -10.195
  137   1HD   ARG  18           HD2      ARG  18   0.388  -4.982 -12.453
  138   2HD   ARG  18           HD1      ARG  18   0.662  -6.440 -11.502
  139    HE   ARG  18           HE       ARG  18  -1.788  -6.248 -10.833
  140   1HH1  ARG  18          HH11      ARG  18  -3.092  -4.094 -11.693
  141   2HH1  ARG  18          HH12      ARG  18  -3.480  -4.302 -13.368
  142   1HH2  ARG  18          HH21      ARG  18  -1.111  -6.848 -13.806
  143   2HH2  ARG  18          HH22      ARG  18  -2.329  -5.903 -14.596
  144    H    LEU  19           HN       LEU  19  -1.166  -4.017  -6.080
  145    HA   LEU  19           HA       LEU  19  -2.200  -6.456  -5.037
  146   1HB   LEU  19           HB2      LEU  19  -0.885  -4.614  -3.818
  147   2HB   LEU  19           HB1      LEU  19  -2.430  -3.792  -3.637
  148    HG   LEU  19           HG       LEU  19  -3.143  -6.275  -2.815
  149   1HD1  LEU  19          HD11      LEU  19  -0.822  -7.126  -3.118
  150   2HD1  LEU  19          HD13      LEU  19  -0.246  -5.920  -1.971
  151   3HD1  LEU  19          HD12      LEU  19  -1.326  -7.201  -1.432
  152   1HD2  LEU  19          HD21      LEU  19  -1.928  -3.955  -1.307
  153   2HD2  LEU  19          HD23      LEU  19  -3.625  -4.403  -1.440
  154   3HD2  LEU  19          HD22      LEU  19  -2.534  -5.372  -0.454
  155    H    LEU  20           HN       LEU  20  -3.768  -3.708  -6.378
  156    HA   LEU  20           HA       LEU  20  -6.380  -4.411  -5.175
  157   1HB   LEU  20           HB2      LEU  20  -5.397  -2.158  -6.913
  158   2HB   LEU  20           HB1      LEU  20  -7.120  -2.436  -6.684
  159    HG   LEU  20           HG       LEU  20  -5.434  -2.442  -4.226
  160   1HD1  LEU  20          HD11      LEU  20  -6.066   0.046  -5.847
  161   2HD1  LEU  20          HD13      LEU  20  -5.588   0.079  -4.152
  162   3HD1  LEU  20          HD12      LEU  20  -4.471  -0.528  -5.371
  163   1HD2  LEU  20          HD23      LEU  20  -8.037  -2.682  -4.539
  164   2HD2  LEU  20          HD22      LEU  20  -7.419  -1.680  -3.228
  165   3HD2  LEU  20          HD21      LEU  20  -7.994  -0.930  -4.715
  166    H    ALA  21           HN       ALA  21  -4.612  -4.749  -8.145
  167    HA   ALA  21           HA       ALA  21  -7.027  -5.687  -9.587
  168   1HB   ALA  21           HB1      ALA  21  -5.273  -4.173 -10.649
  169   2HB   ALA  21           HB3      ALA  21  -4.198  -5.567 -10.641
  170   3HB   ALA  21           HB2      ALA  21  -5.693  -5.613 -11.570
  171    H    GLU  22           HN       GLU  22  -4.455  -6.923  -7.753
  172    HA   GLU  22           HA       GLU  22  -4.302  -9.523  -9.075
  173   1HB   GLU  22           HB2      GLU  22  -2.453  -8.429  -7.694
  174   2HB   GLU  22           HB1      GLU  22  -3.391  -8.866  -6.270
  175   1HG   GLU  22           HG2      GLU  22  -3.428 -11.261  -7.329
  176   2HG   GLU  22           HG1      GLU  22  -2.066 -10.679  -8.284
  177    H    HIS  23           HN       HIS  23  -5.804  -8.240  -6.136
  178    HA   HIS  23           HA       HIS  23  -7.168 -10.842  -5.704
  179   1HB   HIS  23           HB2      HIS  23  -7.268  -8.343  -3.996
  180   2HB   HIS  23           HB1      HIS  23  -7.797  -9.960  -3.536
  181    HD1  HIS  23           HD1      HIS  23  -5.549 -11.643  -4.140
  182    HD2  HIS  23           HD2      HIS  23  -4.864  -7.871  -2.812
  183    HE1  HIS  23           HE1      HIS  23  -3.293 -11.695  -3.246
  184    H    ASN  24           HN       ASN  24  -7.696  -8.183  -7.510
  185    HA   ASN  24           HA       ASN  24  -9.618  -7.252  -8.491
  186   1HB   ASN  24           HB2      ASN  24 -11.124  -9.634  -7.412
  187   2HB   ASN  24           HB1      ASN  24 -11.423  -8.733  -8.896
  188   1HD2  ASN  24          HD22      ASN  24  -9.190 -11.958  -9.185
  189   2HD2  ASN  24          HD21      ASN  24 -10.373 -11.661  -8.005
  190    H    LEU  25           HN       LEU  25  -9.798  -5.477  -7.113
  191    HA   LEU  25           HA       LEU  25 -11.999  -5.696  -5.109
  192   1HB   LEU  25           HB2      LEU  25  -9.201  -4.745  -4.683
  193   2HB   LEU  25           HB1      LEU  25 -10.494  -3.886  -3.854
  194    HG   LEU  25           HG       LEU  25 -10.490  -6.887  -3.777
  195   1HD1  LEU  25          HD11      LEU  25  -8.747  -5.067  -2.078
  196   2HD1  LEU  25          HD13      LEU  25  -9.052  -6.767  -1.731
  197   3HD1  LEU  25          HD12      LEU  25  -8.181  -6.308  -3.192
  198   1HD2  LEU  25          HD21      LEU  25 -12.272  -5.224  -2.827
  199   2HD2  LEU  25          HD23      LEU  25 -11.737  -6.552  -1.801
  200   3HD2  LEU  25          HD22      LEU  25 -11.089  -4.933  -1.556
  201    H    ASP  26           HN       ASP  26 -13.523  -4.229  -5.502
  202    HA   ASP  26           HA       ASP  26 -13.007  -2.076  -7.434
  203   1HB   ASP  26           HB2      ASP  26 -15.401  -3.291  -6.148
  204   2HB   ASP  26           HB1      ASP  26 -15.541  -1.616  -6.676
  205    H    ALA  27           HN       ALA  27 -11.562  -0.742  -6.255
  206    HA   ALA  27           HA       ALA  27 -11.836   0.249  -3.662
  207   1HB   ALA  27           HB2      ALA  27 -10.495   1.101  -6.102
  208   2HB   ALA  27           HB1      ALA  27 -11.013   2.476  -5.130
  209   3HB   ALA  27           HB3      ALA  27  -9.963   1.247  -4.430
  210    H    SER  28           HN       SER  28 -13.862   0.812  -6.362
  211    HA   SER  28           HA       SER  28 -14.968   3.329  -5.939
  212   1HB   SER  28           HB2      SER  28 -16.895   2.564  -7.094
  213   2HB   SER  28           HB1      SER  28 -15.634   1.440  -7.640
  214    HG   SER  28           HG1      SER  28 -17.792   0.732  -6.481
  215    H    ALA  29           HN       ALA  29 -15.323   0.462  -3.992
  216    HA   ALA  29           HA       ALA  29 -17.409   1.731  -2.322
  217   1HB   ALA  29           HB1      ALA  29 -16.076  -0.985  -2.190
  218   2HB   ALA  29           HB3      ALA  29 -17.327  -0.445  -1.075
  219   3HB   ALA  29           HB2      ALA  29 -17.695  -0.633  -2.787
  220    H    ILE  30           HN       ILE  30 -14.002   1.198  -2.364
  221    HA   ILE  30           HA       ILE  30 -13.717   1.767   0.521
  222    HB   ILE  30           HB       ILE  30 -11.579   1.397  -1.597
  223   1HG1  ILE  30          HG12      ILE  30 -12.917  -0.631  -1.468
  224   2HG1  ILE  30          HG11      ILE  30 -11.399  -0.924  -0.636
  225   1HG2  ILE  30          HG21      ILE  30 -11.526   2.099   1.231
  226   2HG2  ILE  30          HG23      ILE  30 -10.626   0.618   0.924
  227   3HG2  ILE  30          HG22      ILE  30 -10.213   2.094   0.061
  228   1HD1  ILE  30           HD2      ILE  30 -12.752  -0.125   1.499
  229   2HD1  ILE  30           HD1      ILE  30 -14.152  -0.549   0.522
  230   3HD1  ILE  30           HD3      ILE  30 -12.944  -1.769   0.908
  231    H    LYS  31           HN       LYS  31 -13.662   3.787   1.238
  232    HA   LYS  31           HA       LYS  31 -13.187   6.006  -0.643
  233   1HB   LYS  31           HB2      LYS  31 -13.446   7.102   1.895
  234   2HB   LYS  31           HB1      LYS  31 -14.746   6.900   0.726
  235   1HG   LYS  31           HG2      LYS  31 -15.285   4.691   1.644
  236   2HG   LYS  31           HG1      LYS  31 -13.916   4.783   2.746
  237   1HD   LYS  31           HD2      LYS  31 -15.618   5.504   4.157
  238   2HD   LYS  31           HD1      LYS  31 -15.118   7.052   3.489
  239   1HE   LYS  31           HE2      LYS  31 -16.875   6.425   1.596
  240   2HE   LYS  31           HE1      LYS  31 -17.552   5.413   2.866
  241   1HZ   LYS  31           HZ3      LYS  31 -16.880   8.172   3.545
  242   2HZ   LYS  31           HZ2      LYS  31 -18.245   7.913   2.570
  243   3HZ   LYS  31           HZ1      LYS  31 -18.149   7.192   4.105
  244    H    GLY  32           HN       GLY  32 -11.471   7.430  -0.544
  245   1HA   GLY  32           HA2      GLY  32  -9.101   6.426   0.930
  246   2HA   GLY  32           HA1      GLY  32  -9.068   7.599  -0.385
  247    H    THR  33           HN       THR  33  -9.057   7.169   2.974
  248    HA   THR  33           HA       THR  33  -9.707  10.042   3.464
  249    HB   THR  33           HB       THR  33  -9.704   9.232   5.930
  250    HG1  THR  33           HG1      THR  33  -8.608   7.227   4.760
  251   1HG2  THR  33          HG22      THR  33 -11.832   9.458   4.535
  252   2HG2  THR  33          HG21      THR  33 -11.617   7.774   4.067
  253   3HG2  THR  33          HG23      THR  33 -11.904   8.188   5.754
  254    H    GLY  34           HN       GLY  34  -7.252   9.436   2.231
  255   1HA   GLY  34           HA2      GLY  34  -5.059   9.126   4.008
  256   2HA   GLY  34           HA1      GLY  34  -4.972   9.948   2.453
  257    H    VAL  35           HN       VAL  35  -3.385  11.177   3.948
  258    HA   VAL  35           HA       VAL  35  -4.149  12.889   6.017
  259    HB   VAL  35           HB       VAL  35  -2.235  13.476   3.742
  260   1HG1  VAL  35          HG13      VAL  35  -2.714  14.799   6.427
  261   2HG1  VAL  35          HG12      VAL  35  -1.207  14.991   5.535
  262   3HG1  VAL  35          HG11      VAL  35  -2.721  15.556   4.837
  263   1HG2  VAL  35          HG22      VAL  35  -1.918  11.395   5.254
  264   2HG2  VAL  35          HG21      VAL  35  -0.558  12.505   5.119
  265   3HG2  VAL  35          HG23      VAL  35  -1.588  12.546   6.546
  266    H    GLY  36           HN       GLY  36  -4.969  13.055   2.667
  267   1HA   GLY  36           HA2      GLY  36  -6.538  15.542   3.211
  268   2HA   GLY  36           HA1      GLY  36  -5.589  15.398   1.736
  269    H    GLY  37           HN       GLY  37  -6.215  12.506   1.530
  270   1HA   GLY  37           HA2      GLY  37  -8.785  11.659   1.471
  271   2HA   GLY  37           HA1      GLY  37  -8.801  12.834   0.159
  272    NH1  ARG  38           NH1      ARG  38  -0.987  13.987  -3.937
  273    NH2  ARG  38           NH2      ARG  38   0.119  14.168  -1.946
  274    H    ARG  38           HN       ARG  38  -5.813  11.987  -0.140
  275    HA   ARG  38           HA       ARG  38  -6.005  10.446  -2.445
  276   1HB   ARG  38           HB2      ARG  38  -3.795  10.068  -0.420
  277   2HB   ARG  38           HB1      ARG  38  -3.689   9.904  -2.169
  278   1HG   ARG  38           HG2      ARG  38  -4.448  12.386  -2.244
  279   2HG   ARG  38           HG1      ARG  38  -4.014  12.426  -0.539
  280   1HD   ARG  38           HD2      ARG  38  -1.730  11.662  -1.092
  281   2HD   ARG  38           HD1      ARG  38  -2.162  11.591  -2.799
  282    HE   ARG  38           HE       ARG  38  -2.638  14.216  -1.619
  283   1HH1  ARG  38          HH11      ARG  38  -1.830  13.776  -4.432
  284   2HH1  ARG  38          HH12      ARG  38  -0.168  14.263  -4.439
  285   1HH2  ARG  38          HH21      ARG  38   0.105  14.093  -0.948
  286   2HH2  ARG  38          HH22      ARG  38   0.957  14.447  -2.414
  287    H    LEU  39           HN       LEU  39  -5.658   8.190  -2.878
  288    HA   LEU  39           HA       LEU  39  -6.866   6.458  -0.778
  289   1HB   LEU  39           HB2      LEU  39  -7.955   6.546  -3.026
  290   2HB   LEU  39           HB1      LEU  39  -6.475   5.917  -3.734
  291    HG   LEU  39           HG       LEU  39  -6.673   3.882  -2.293
  292   1HD1  LEU  39          HD13      LEU  39  -9.025   5.438  -1.280
  293   2HD1  LEU  39          HD12      LEU  39  -9.186   3.690  -1.392
  294   3HD1  LEU  39          HD11      LEU  39  -7.916   4.393  -0.398
  295   1HD2  LEU  39          HD22      LEU  39  -7.690   4.066  -4.617
  296   2HD2  LEU  39          HD21      LEU  39  -8.431   2.852  -3.578
  297   3HD2  LEU  39          HD23      LEU  39  -9.231   4.400  -3.833
  298    H    THR  40           HN       THR  40  -5.231   5.713   0.485
  299    HA   THR  40           HA       THR  40  -2.768   4.680  -0.831
  300    HB   THR  40           HB       THR  40  -1.662   5.054   1.212
  301    HG1  THR  40           HG1      THR  40  -2.970   4.912   3.160
  302   1HG2  THR  40          HG23      THR  40  -3.144   7.166   0.495
  303   2HG2  THR  40          HG22      THR  40  -4.034   6.747   1.956
  304   3HG2  THR  40          HG21      THR  40  -2.322   7.148   2.053
  305    NH1  ARG  41           NH2      ARG  41   1.144  -3.280   3.356
  306    NH2  ARG  41           NH1      ARG  41  -0.019  -2.529   5.175
  307    H    ARG  41           HN       ARG  41  -2.121   2.897   1.340
  308    HA   ARG  41           HA       ARG  41  -3.851   0.626   0.532
  309   1HB   ARG  41           HB2      ARG  41  -1.421   0.328   0.340
  310   2HB   ARG  41           HB1      ARG  41  -1.232   0.682   2.054
  311   1HG   ARG  41           HG2      ARG  41  -3.228  -1.410   1.522
  312   2HG   ARG  41           HG1      ARG  41  -1.612  -1.845   0.978
  313   1HD   ARG  41           HD2      ARG  41  -2.121  -0.691   3.734
  314   2HD   ARG  41           HD1      ARG  41  -2.177  -2.425   3.419
  315    HE   ARG  41           HE       ARG  41   0.275  -0.906   2.669
  316   1HH1  ARG  41          HH21      ARG  41   1.356  -3.199   2.382
  317   2HH1  ARG  41          HH22      ARG  41   1.585  -3.987   3.908
  318   1HH2  ARG  41          HH11      ARG  41  -0.678  -1.886   5.563
  319   2HH2  ARG  41          HH12      ARG  41   0.404  -3.224   5.756
  320    H    GLU  42           HN       GLU  42  -2.950   2.513   3.329
  321    HA   GLU  42           HA       GLU  42  -3.856   0.868   5.423
  322   1HB   GLU  42           HB2      GLU  42  -3.280   3.670   5.045
  323   2HB   GLU  42           HB1      GLU  42  -4.710   3.483   6.055
  324   1HG   GLU  42           HG2      GLU  42  -2.109   1.984   6.519
  325   2HG   GLU  42           HG1      GLU  42  -2.548   3.471   7.356
  326    H    ASP  43           HN       ASP  43  -5.684   2.814   3.150
  327    HA   ASP  43           HA       ASP  43  -8.222   2.552   4.511
  328   1HB   ASP  43           HB2      ASP  43  -7.642   3.107   1.589
  329   2HB   ASP  43           HB1      ASP  43  -9.187   3.365   2.396
  330    H    VAL  44           HN       VAL  44  -6.805   0.895   1.701
  331    HA   VAL  44           HA       VAL  44  -9.008  -1.017   1.571
  332    HB   VAL  44           HB       VAL  44  -6.329  -1.390   0.245
  333   1HG1  VAL  44          HG11      VAL  44  -8.601  -2.887   0.202
  334   2HG1  VAL  44          HG13      VAL  44  -8.936  -1.783  -1.129
  335   3HG1  VAL  44          HG12      VAL  44  -7.490  -2.788  -1.162
  336   1HG2  VAL  44          HG23      VAL  44  -8.546   0.545  -0.492
  337   2HG2  VAL  44          HG22      VAL  44  -6.857   0.933  -0.178
  338   3HG2  VAL  44          HG21      VAL  44  -7.301   0.028  -1.623
  339    H    GLU  45           HN       GLU  45  -6.253  -0.703   3.474
  340    HA   GLU  45           HA       GLU  45  -5.414  -3.412   3.776
  341   1HB   GLU  45           HB2      GLU  45  -4.070  -1.607   4.672
  342   2HB   GLU  45           HB1      GLU  45  -5.382  -1.102   5.732
  343   1HG   GLU  45           HG2      GLU  45  -5.205  -3.088   7.059
  344   2HG   GLU  45           HG1      GLU  45  -4.182  -3.881   5.863
  345    H    LYS  46           HN       LYS  46  -7.476  -1.527   5.991
  346    HA   LYS  46           HA       LYS  46  -8.345  -3.623   7.623
  347   1HB   LYS  46           HB2      LYS  46 -10.162  -1.397   6.686
  348   2HB   LYS  46           HB1      LYS  46 -10.203  -2.239   8.231
  349   1HG   LYS  46           HG2      LYS  46  -7.803  -1.367   8.581
  350   2HG   LYS  46           HG1      LYS  46  -8.118  -0.290   7.225
  351   1HD   LYS  46           HD2      LYS  46 -10.217   0.460   8.468
  352   2HD   LYS  46           HD1      LYS  46  -9.604  -0.421   9.863
  353   1HE   LYS  46           HE2      LYS  46  -8.953   1.979   9.933
  354   2HE   LYS  46           HE1      LYS  46  -7.547   0.927   9.837
  355   1HZ   LYS  46           HZ2      LYS  46  -8.775   2.043   7.401
  356   2HZ   LYS  46           HZ1      LYS  46  -7.655   2.942   8.306
  357   3HZ   LYS  46           HZ3      LYS  46  -7.199   1.454   7.626
  358    H    HIS  47           HN       HIS  47  -8.931  -3.207   4.316
  359    HA   HIS  47           HA       HIS  47 -11.390  -4.864   4.344
  360   1HB   HIS  47           HB2      HIS  47 -10.820  -2.775   2.794
  361   2HB   HIS  47           HB1      HIS  47 -10.061  -4.018   1.804
  362    HD1  HIS  47           HD1      HIS  47 -13.364  -3.096   3.127
  363    HD2  HIS  47           HD2      HIS  47 -11.805  -5.780   0.513
  364    HE1  HIS  47           HE1      HIS  47 -15.287  -4.064   2.006
  365    H    LEU  48           HN       LEU  48  -7.997  -5.032   3.547
  366    HA   LEU  48           HA       LEU  48  -8.303  -7.726   2.358
  367   1HB   LEU  48           HB2      LEU  48  -6.085  -5.731   2.592
  368   2HB   LEU  48           HB1      LEU  48  -5.667  -7.424   2.358
  369    HG   LEU  48           HG       LEU  48  -7.800  -6.244   0.612
  370   1HD1  LEU  48          HD13      LEU  48  -4.880  -5.550   0.582
  371   2HD1  LEU  48          HD12      LEU  48  -5.706  -5.762  -0.958
  372   3HD1  LEU  48          HD11      LEU  48  -6.267  -4.543   0.182
  373   1HD2  LEU  48          HD21      LEU  48  -6.988  -8.696   0.667
  374   2HD2  LEU  48          HD23      LEU  48  -7.051  -7.918  -0.911
  375   3HD2  LEU  48          HD22      LEU  48  -5.510  -8.098  -0.078
  376    H    ALA  49           HN       ALA  49  -7.907  -6.367   5.394
  377    HA   ALA  49           HA       ALA  49  -6.104  -8.222   6.629
  378   1HB   ALA  49           HB2      ALA  49  -8.291  -6.428   7.659
  379   2HB   ALA  49           HB1      ALA  49  -7.445  -7.529   8.743
  380   3HB   ALA  49           HB3      ALA  49  -6.550  -6.281   7.882
  381    H    LYS  50           HN       LYS  50  -6.673  -9.939   8.134
  382    HA   LYS  50           HA       LYS  50  -8.381 -11.900   7.020
  383   1HB   LYS  50           HB2      LYS  50  -7.513 -11.620   9.908
  384   2HB   LYS  50           HB1      LYS  50  -8.120 -13.090   9.157
  385   1HG   LYS  50           HG2      LYS  50  -6.102 -13.549   8.242
  386   2HG   LYS  50           HG1      LYS  50  -5.962 -11.921   7.588
  387   1HD   LYS  50           HD2      LYS  50  -4.157 -12.381   9.219
  388   2HD   LYS  50           HD1      LYS  50  -5.210 -11.091   9.789
  389   1HE   LYS  50           HE2      LYS  50  -6.151 -13.752  10.582
  390   2HE   LYS  50           HE1      LYS  50  -4.551 -13.385  11.213
  391   1HZ   LYS  50           HZ1      LYS  50  -5.810 -11.095  11.692
  392   2HZ   LYS  50           HZ3      LYS  50  -7.111 -12.178  11.832
  393   3HZ   LYS  50           HZ2      LYS  50  -5.733 -12.375  12.805
  394    H    ALA  51           HN       ALA  51  -9.036  -9.327   9.286
  395    HA   ALA  51           HA       ALA  51 -11.632 -10.330  10.114
  396   1HB   ALA  51           HB3      ALA  51 -10.270  -7.644  10.314
  397   2HB   ALA  51           HB2      ALA  51 -11.921  -7.893  10.876
  398   3HB   ALA  51           HB1      ALA  51 -10.596  -8.797  11.604
   
 Raw file had 398 H/Q atoms
  Start of MODEL   26
    1    OH   TYR   1           OH       TYR   1  25.291   1.725   5.316
    2   1H    TYR   1           HT1      TYR   1  19.409  -4.185   4.819
    3   2H    TYR   1           HT3      TYR   1  20.496  -4.751   5.996
    4   3H    TYR   1           HT2      TYR   1  19.213  -3.733   6.445
    5    HA   TYR   1           HA       TYR   1  20.247  -1.868   5.789
    6   1HB   TYR   1           HB2      TYR   1  21.857  -2.945   7.321
    7   2HB   TYR   1           HB1      TYR   1  22.614  -3.757   5.953
    8    HD1  TYR   1           HD1      TYR   1  21.670  -0.320   7.107
    9    HD2  TYR   1           HD2      TYR   1  24.395  -2.689   4.858
   10    HE1  TYR   1           HE1      TYR   1  23.055   1.661   6.698
   11    HE2  TYR   1           HE2      TYR   1  25.780  -0.707   4.450
   12    HH   TYR   1           HH       TYR   1  26.094   1.440   4.875
   13    H    ALA   2           HN       ALA   2  20.611  -0.710   3.993
   14    HA   ALA   2           HA       ALA   2  21.123  -2.201   1.481
   15   1HB   ALA   2           HB3      ALA   2  19.726   0.259   2.219
   16   2HB   ALA   2           HB2      ALA   2  20.762   0.467   0.811
   17   3HB   ALA   2           HB1      ALA   2  19.509  -0.769   0.806
   18    H    SER   3           HN       SER   3  22.481  -0.861  -0.161
   19    HA   SER   3           HA       SER   3  25.084  -0.358   1.157
   20   1HB   SER   3           HB2      SER   3  26.021  -0.496  -1.113
   21   2HB   SER   3           HB1      SER   3  24.916  -1.862  -0.863
   22    HG   SER   3           HG1      SER   3  23.289  -0.144  -1.611
   23    H    LEU   4           HN       LEU   4  26.396   1.423  -0.170
   24    HA   LEU   4           HA       LEU   4  24.919   3.924   0.302
   25   1HB   LEU   4           HB2      LEU   4  27.776   3.187  -0.214
   26   2HB   LEU   4           HB1      LEU   4  27.262   4.848  -0.491
   27    HG   LEU   4           HG       LEU   4  26.421   3.535   2.064
   28   1HD1  LEU   4          HD13      LEU   4  29.228   4.270   1.287
   29   2HD1  LEU   4          HD12      LEU   4  28.697   4.583   2.936
   30   3HD1  LEU   4          HD11      LEU   4  28.668   2.942   2.298
   31   1HD2  LEU   4          HD22      LEU   4  25.882   5.934   1.156
   32   2HD2  LEU   4          HD21      LEU   4  26.354   5.757   2.843
   33   3HD2  LEU   4          HD23      LEU   4  27.528   6.308   1.652
   34    H    GLU   5           HN       GLU   5  23.455   3.254  -1.577
   35    HA   GLU   5           HA       GLU   5  24.124   4.894  -3.860
   36   1HB   GLU   5           HB2      GLU   5  25.472   2.763  -4.249
   37   2HB   GLU   5           HB1      GLU   5  23.931   1.938  -4.449
   38   1HG   GLU   5           HG2      GLU   5  23.323   3.463  -6.281
   39   2HG   GLU   5           HG1      GLU   5  24.823   4.359  -6.054
   40    H    GLU   6           HN       GLU   6  22.282   1.865  -3.702
   41    HA   GLU   6           HA       GLU   6  19.854   3.393  -4.475
   42   1HB   GLU   6           HB2      GLU   6  20.615   1.296  -5.714
   43   2HB   GLU   6           HB1      GLU   6  20.137   0.393  -4.281
   44   1HG   GLU   6           HG2      GLU   6  18.071   0.340  -5.248
   45   2HG   GLU   6           HG1      GLU   6  17.940   2.008  -4.696
   46    H    GLN   7           HN       GLN   7  18.257   3.785  -3.069
   47    HA   GLN   7           HA       GLN   7  18.472   2.609  -0.351
   48   1HB   GLN   7           HB2      GLN   7  16.775   4.882  -1.416
   49   2HB   GLN   7           HB1      GLN   7  16.819   4.363   0.265
   50   1HG   GLN   7           HG2      GLN   7  19.450   4.921  -1.022
   51   2HG   GLN   7           HG1      GLN   7  18.427   6.315  -0.684
   52   1HE2  GLN   7          HE22      GLN   7  20.370   4.514   2.340
   53   2HE2  GLN   7          HE21      GLN   7  20.649   4.129   0.710
   54    H    ASN   8           HN       ASN   8  17.703   0.506  -1.146
   55    HA   ASN   8           HA       ASN   8  14.839   0.420  -1.911
   56   1HB   ASN   8           HB2      ASN   8  16.866  -1.014  -2.887
   57   2HB   ASN   8           HB1      ASN   8  16.451  -2.064  -1.535
   58   1HD2  ASN   8          HD22      ASN   8  13.558  -1.415  -4.399
   59   2HD2  ASN   8          HD21      ASN   8  14.661  -0.174  -4.044
   60    H    ASN   9           HN       ASN   9  13.609  -1.484  -0.844
   61    HA   ASN   9           HA       ASN   9  12.627  -2.327   1.118
   62   1HB   ASN   9           HB2      ASN   9  15.193  -3.078   1.250
   63   2HB   ASN   9           HB1      ASN   9  15.167  -2.001   2.644
   64   1HD2  ASN   9          HD22      ASN   9  13.812  -4.603   4.575
   65   2HD2  ASN   9          HD21      ASN   9  14.987  -3.388   4.416
   66    H    ASP  10           HN       ASP  10  12.396   0.433   0.648
   67    HA   ASP  10           HA       ASP  10  11.625   1.348   3.268
   68   1HB   ASP  10           HB2      ASP  10  13.222   3.265   3.420
   69   2HB   ASP  10           HB1      ASP  10  14.018   1.700   3.575
   70    H    ALA  11           HN       ALA  11  10.229   1.148   0.930
   71    HA   ALA  11           HA       ALA  11   9.565   3.992   0.429
   72   1HB   ALA  11           HB3      ALA  11  11.201   3.062  -1.351
   73   2HB   ALA  11           HB2      ALA  11   9.829   2.111  -1.910
   74   3HB   ALA  11           HB1      ALA  11   9.743   3.869  -1.921
   75    H    LEU  12           HN       LEU  12   7.856   3.214  -1.824
   76    HA   LEU  12           HA       LEU  12   5.580   2.237  -0.221
   77   1HB   LEU  12           HB2      LEU  12   5.780   3.297  -3.049
   78   2HB   LEU  12           HB1      LEU  12   4.273   2.781  -2.302
   79    HG   LEU  12           HG       LEU  12   5.936   4.688  -0.728
   80   1HD1  LEU  12          HD11      LEU  12   4.394   5.488  -3.222
   81   2HD1  LEU  12          HD13      LEU  12   5.030   6.615  -2.028
   82   3HD1  LEU  12          HD12      LEU  12   6.132   5.636  -2.991
   83   1HD2  LEU  12          HD21      LEU  12   3.696   3.783  -0.019
   84   2HD2  LEU  12          HD23      LEU  12   3.731   5.541  -0.127
   85   3HD2  LEU  12          HD22      LEU  12   2.976   4.595  -1.406
   86    H    SER  13           HN       SER  13   4.016   0.812  -1.718
   87    HA   SER  13           HA       SER  13   5.571  -1.631  -2.272
   88   1HB   SER  13           HB2      SER  13   3.786  -2.457  -1.128
   89   2HB   SER  13           HB1      SER  13   2.808  -1.015  -1.466
   90    HG   SER  13           HG1      SER  13   2.273  -1.803  -3.408
   91    HA   PRO  14           HA       PRO  14   5.193  -0.367  -6.647
   92   1HB   PRO  14           HB2      PRO  14   6.373  -2.860  -7.477
   93   2HB   PRO  14           HB1      PRO  14   7.079  -1.245  -7.535
   94   1HG   PRO  14           HG2      PRO  14   7.776  -3.380  -5.736
   95   2HG   PRO  14           HG1      PRO  14   8.416  -1.736  -5.736
   96   1HD   PRO  14           HD1      PRO  14   6.557  -2.941  -3.861
   97   2HD   PRO  14           HD2      PRO  14   7.276  -1.317  -3.802
   98    H    ALA  15           HN       ALA  15   3.943  -3.027  -4.967
   99    HA   ALA  15           HA       ALA  15   2.327  -3.960  -7.283
  100   1HB   ALA  15           HB3      ALA  15   3.299  -5.158  -4.806
  101   2HB   ALA  15           HB2      ALA  15   1.582  -5.453  -5.055
  102   3HB   ALA  15           HB1      ALA  15   2.746  -5.943  -6.282
  103    H    ILE  16           HN       ILE  16   2.161  -1.794  -4.737
  104    HA   ILE  16           HA       ILE  16  -0.427  -1.970  -3.705
  105    HB   ILE  16           HB       ILE  16   1.324  -0.249  -3.115
  106   1HG1  ILE  16          HG12      ILE  16  -1.458   0.776  -3.773
  107   2HG1  ILE  16          HG11      ILE  16  -1.007  -0.077  -2.302
  108   1HG2  ILE  16          HG22      ILE  16   1.482   0.325  -5.696
  109   2HG2  ILE  16          HG21      ILE  16   0.186   1.451  -5.305
  110   3HG2  ILE  16          HG23      ILE  16   1.741   1.581  -4.489
  111   1HD1  ILE  16           HD2      ILE  16   0.769   1.775  -1.987
  112   2HD1  ILE  16           HD1      ILE  16  -0.123   2.667  -3.216
  113   3HD1  ILE  16           HD3      ILE  16  -0.909   2.225  -1.704
  114    NH1  ARG  17           NH1      ARG  17   0.870   4.066  -6.688
  115    NH2  ARG  17           NH2      ARG  17   3.078   3.864  -7.245
  116    H    ARG  17           HN       ARG  17   0.603  -0.811  -6.856
  117    HA   ARG  17           HA       ARG  17  -2.038   0.166  -7.610
  118   1HB   ARG  17           HB2      ARG  17   0.518  -0.362  -9.120
  119   2HB   ARG  17           HB1      ARG  17  -0.959   0.103  -9.955
  120   1HG   ARG  17           HG2      ARG  17  -0.884   2.248  -9.162
  121   2HG   ARG  17           HG1      ARG  17  -0.286   1.748  -7.584
  122   1HD   ARG  17           HD2      ARG  17   1.964   1.403  -8.522
  123   2HD   ARG  17           HD1      ARG  17   1.378   1.836 -10.126
  124    HE   ARG  17           HE       ARG  17   1.366   4.118  -9.462
  125   1HH1  ARG  17          HH11      ARG  17  -0.090   4.003  -6.958
  126   2HH1  ARG  17          HH12      ARG  17   1.111   4.338  -5.756
  127   1HH2  ARG  17          HH21      ARG  17   3.771   3.649  -7.933
  128   2HH2  ARG  17          HH22      ARG  17   3.355   4.133  -6.323
  129    NH1  ARG  18           NH2      ARG  18  -0.578  -7.299 -11.985
  130    NH2  ARG  18           NH1      ARG  18   1.661  -7.033 -12.348
  131    H    ARG  18           HN       ARG  18  -0.116  -2.715  -8.376
  132    HA   ARG  18           HA       ARG  18  -2.301  -3.906  -9.911
  133   1HB   ARG  18           HB2      ARG  18   0.291  -5.108  -8.903
  134   2HB   ARG  18           HB1      ARG  18  -0.798  -5.874 -10.049
  135   1HG   ARG  18           HG2      ARG  18   0.237  -3.097 -10.605
  136   2HG   ARG  18           HG1      ARG  18   1.263  -4.484 -10.940
  137   1HD   ARG  18           HD2      ARG  18  -1.519  -4.745 -11.938
  138   2HD   ARG  18           HD1      ARG  18  -0.572  -3.479 -12.711
  139    HE   ARG  18           HE       ARG  18   0.516  -5.219 -13.847
  140   1HH1  ARG  18          HH21      ARG  18  -1.506  -6.933 -12.055
  141   2HH1  ARG  18          HH22      ARG  18  -0.426  -8.202 -11.581
  142   1HH2  ARG  18          HH11      ARG  18   2.412  -6.468 -12.691
  143   2HH2  ARG  18          HH12      ARG  18   1.852  -7.931 -11.951
  144    H    LEU  19           HN       LEU  19  -1.735  -3.506  -6.671
  145    HA   LEU  19           HA       LEU  19  -2.415  -6.021  -5.532
  146   1HB   LEU  19           HB2      LEU  19  -1.618  -3.892  -4.342
  147   2HB   LEU  19           HB1      LEU  19  -3.295  -3.362  -4.405
  148    HG   LEU  19           HG       LEU  19  -3.658  -5.869  -3.448
  149   1HD1  LEU  19          HD12      LEU  19  -1.202  -6.297  -3.422
  150   2HD1  LEU  19          HD11      LEU  19  -0.993  -4.935  -2.326
  151   3HD1  LEU  19          HD13      LEU  19  -1.892  -6.355  -1.803
  152   1HD2  LEU  19          HD23      LEU  19  -2.936  -3.372  -1.878
  153   2HD2  LEU  19          HD22      LEU  19  -4.547  -3.852  -2.404
  154   3HD2  LEU  19          HD21      LEU  19  -3.705  -4.791  -1.175
  155    H    LEU  20           HN       LEU  20  -4.396  -3.471  -6.899
  156    HA   LEU  20           HA       LEU  20  -6.927  -4.509  -5.988
  157   1HB   LEU  20           HB2      LEU  20  -6.466  -2.878  -8.492
  158   2HB   LEU  20           HB1      LEU  20  -7.922  -2.944  -7.504
  159    HG   LEU  20           HG       LEU  20  -5.227  -1.831  -6.650
  160   1HD1  LEU  20          HD12      LEU  20  -7.016  -0.581  -8.214
  161   2HD1  LEU  20          HD11      LEU  20  -7.777  -0.268  -6.657
  162   3HD1  LEU  20          HD13      LEU  20  -6.130   0.279  -6.958
  163   1HD2  LEU  20          HD22      LEU  20  -7.781  -2.437  -5.172
  164   2HD2  LEU  20          HD21      LEU  20  -6.118  -2.714  -4.664
  165   3HD2  LEU  20          HD23      LEU  20  -6.779  -1.082  -4.661
  166    H    ALA  21           HN       ALA  21  -4.729  -5.501  -8.393
  167    HA   ALA  21           HA       ALA  21  -6.807  -6.972  -9.915
  168   1HB   ALA  21           HB1      ALA  21  -4.667  -5.690 -10.851
  169   2HB   ALA  21           HB3      ALA  21  -3.896  -7.238 -10.525
  170   3HB   ALA  21           HB2      ALA  21  -5.266  -7.152 -11.627
  171    H    GLU  22           HN       GLU  22  -4.291  -7.469  -7.578
  172    HA   GLU  22           HA       GLU  22  -4.006 -10.317  -7.928
  173   1HB   GLU  22           HB2      GLU  22  -2.471  -8.682  -6.642
  174   2HB   GLU  22           HB1      GLU  22  -3.606  -8.873  -5.311
  175   1HG   GLU  22           HG2      GLU  22  -3.294 -11.350  -5.441
  176   2HG   GLU  22           HG1      GLU  22  -2.090 -11.107  -6.703
  177    H    HIS  23           HN       HIS  23  -5.986  -8.319  -5.774
  178    HA   HIS  23           HA       HIS  23  -7.424 -10.763  -4.865
  179   1HB   HIS  23           HB2      HIS  23  -7.773  -7.937  -3.852
  180   2HB   HIS  23           HB1      HIS  23  -8.263  -9.431  -3.057
  181    HD1  HIS  23           HD1      HIS  23  -5.870 -11.025  -3.011
  182    HD2  HIS  23           HD2      HIS  23  -5.549  -7.002  -2.590
  183    HE1  HIS  23           HE1      HIS  23  -3.723 -10.679  -1.933
  184    H    ASN  24           HN       ASN  24  -7.724  -8.035  -6.915
  185    HA   ASN  24           HA       ASN  24  -9.417  -7.553  -8.487
  186   1HB   ASN  24           HB2      ASN  24  -9.819 -10.179  -8.079
  187   2HB   ASN  24           HB1      ASN  24 -11.307  -9.560  -7.369
  188   1HD2  ASN  24          HD22      ASN  24 -11.746  -7.764 -10.738
  189   2HD2  ASN  24          HD21      ASN  24 -11.219  -7.161  -9.242
  190    H    LEU  25           HN       LEU  25  -9.195  -6.161  -6.062
  191    HA   LEU  25           HA       LEU  25 -12.008  -5.762  -5.172
  192   1HB   LEU  25           HB2      LEU  25  -9.326  -5.159  -4.013
  193   2HB   LEU  25           HB1      LEU  25 -10.656  -4.091  -3.582
  194    HG   LEU  25           HG       LEU  25 -11.098  -7.061  -3.450
  195   1HD1  LEU  25          HD13      LEU  25  -8.951  -6.680  -2.268
  196   2HD1  LEU  25          HD12      LEU  25  -9.703  -5.403  -1.318
  197   3HD1  LEU  25          HD11      LEU  25 -10.235  -7.071  -1.130
  198   1HD2  LEU  25          HD22      LEU  25 -12.045  -4.691  -1.795
  199   2HD2  LEU  25          HD21      LEU  25 -12.970  -5.481  -3.068
  200   3HD2  LEU  25          HD23      LEU  25 -12.582  -6.355  -1.591
  201    H    ASP  26           HN       ASP  26 -13.120  -3.915  -5.592
  202    HA   ASP  26           HA       ASP  26 -11.856  -2.019  -7.494
  203   1HB   ASP  26           HB2      ASP  26 -14.749  -2.015  -6.638
  204   2HB   ASP  26           HB1      ASP  26 -14.051  -1.393  -8.130
  205    H    ALA  27           HN       ALA  27 -10.920  -0.271  -6.641
  206    HA   ALA  27           HA       ALA  27 -11.125   0.639  -3.994
  207   1HB   ALA  27           HB1      ALA  27  -9.551   1.370  -5.973
  208   2HB   ALA  27           HB3      ALA  27 -10.761   2.626  -6.211
  209   3HB   ALA  27           HB2      ALA  27  -9.907   2.506  -4.676
  210    H    SER  28           HN       SER  28 -13.235   1.228  -6.706
  211    HA   SER  28           HA       SER  28 -14.653   3.496  -5.899
  212   1HB   SER  28           HB2      SER  28 -15.750   0.954  -7.151
  213   2HB   SER  28           HB1      SER  28 -16.608   2.506  -7.094
  214    HG   SER  28           HG1      SER  28 -14.335   3.228  -7.898
  215    H    ALA  29           HN       ALA  29 -14.732   0.278  -4.560
  216    HA   ALA  29           HA       ALA  29 -17.100   0.782  -2.919
  217   1HB   ALA  29           HB3      ALA  29 -15.940  -1.496  -3.789
  218   2HB   ALA  29           HB2      ALA  29 -15.224  -1.398  -2.184
  219   3HB   ALA  29           HB1      ALA  29 -16.974  -1.437  -2.366
  220    H    ILE  30           HN       ILE  30 -13.622   0.940  -2.540
  221    HA   ILE  30           HA       ILE  30 -13.762   1.360   0.350
  222    HB   ILE  30           HB       ILE  30 -11.429   1.960  -1.478
  223   1HG1  ILE  30          HG12      ILE  30 -12.065  -0.281  -2.028
  224   2HG1  ILE  30          HG11      ILE  30 -10.728  -0.432  -0.901
  225   1HG2  ILE  30          HG22      ILE  30 -11.836   2.122   1.356
  226   2HG2  ILE  30          HG21      ILE  30 -10.709   0.808   1.050
  227   3HG2  ILE  30          HG23      ILE  30 -10.358   2.422   0.452
  228   1HD1  ILE  30           HD3      ILE  30 -12.568  -0.562   0.939
  229   2HD1  ILE  30           HD2      ILE  30 -13.678  -0.864  -0.391
  230   3HD1  ILE  30           HD1      ILE  30 -12.343  -1.970  -0.090
  231    H    LYS  31           HN       LYS  31 -13.453   3.307   1.443
  232    HA   LYS  31           HA       LYS  31 -14.150   5.709  -0.152
  233   1HB   LYS  31           HB2      LYS  31 -14.220   6.653   2.330
  234   2HB   LYS  31           HB1      LYS  31 -15.547   5.687   1.691
  235   1HG   LYS  31           HG2      LYS  31 -14.843   3.744   2.832
  236   2HG   LYS  31           HG1      LYS  31 -13.210   4.360   3.061
  237   1HD   LYS  31           HD2      LYS  31 -15.420   5.961   4.260
  238   2HD   LYS  31           HD1      LYS  31 -15.064   4.415   5.023
  239   1HE   LYS  31           HE2      LYS  31 -12.821   5.032   5.491
  240   2HE   LYS  31           HE1      LYS  31 -12.861   6.368   4.346
  241   1HZ   LYS  31           HZ1      LYS  31 -14.818   6.507   6.472
  242   2HZ   LYS  31           HZ3      LYS  31 -13.200   6.641   6.972
  243   3HZ   LYS  31           HZ2      LYS  31 -13.824   7.722   5.821
  244    H    GLY  32           HN       GLY  32 -11.901   5.640  -1.062
  245   1HA   GLY  32           HA2      GLY  32  -9.551   6.035   0.429
  246   2HA   GLY  32           HA1      GLY  32  -9.800   6.688  -1.188
  247    H    THR  33           HN       THR  33 -10.075   7.336   2.240
  248    HA   THR  33           HA       THR  33 -11.130  10.008   1.989
  249    HB   THR  33           HB       THR  33  -9.989  10.154   4.399
  250    HG1  THR  33           HG1      THR  33  -8.776   8.195   3.651
  251   1HG2  THR  33          HG23      THR  33 -12.311   8.483   3.470
  252   2HG2  THR  33          HG22      THR  33 -11.770   8.294   5.135
  253   3HG2  THR  33          HG21      THR  33 -12.315   9.867   4.559
  254    H    GLY  34           HN       GLY  34  -7.933   9.240   3.311
  255   1HA   GLY  34           HA2      GLY  34  -5.927  10.464   3.146
  256   2HA   GLY  34           HA1      GLY  34  -6.281  10.449   1.420
  257    H    VAL  35           HN       VAL  35  -5.234  12.577   1.438
  258    HA   VAL  35           HA       VAL  35  -6.758  14.755   2.733
  259    HB   VAL  35           HB       VAL  35  -4.399  15.121   0.895
  260   1HG1  VAL  35          HG11      VAL  35  -5.763  17.069   1.790
  261   2HG1  VAL  35          HG13      VAL  35  -5.257  16.592   3.407
  262   3HG1  VAL  35          HG12      VAL  35  -4.058  17.112   2.227
  263   1HG2  VAL  35          HG21      VAL  35  -4.501  13.994   3.678
  264   2HG2  VAL  35          HG23      VAL  35  -3.437  13.562   2.343
  265   3HG2  VAL  35          HG22      VAL  35  -3.164  15.052   3.241
  266    H    GLY  36           HN       GLY  36  -8.693  14.796   1.577
  267   1HA   GLY  36           HA2      GLY  36  -9.900  16.022  -0.119
  268   2HA   GLY  36           HA1      GLY  36  -8.455  15.998  -1.126
  269    H    GLY  37           HN       GLY  37  -8.289  13.020  -0.279
  270   1HA   GLY  37           HA2      GLY  37 -10.195  11.301  -0.969
  271   2HA   GLY  37           HA1      GLY  37  -9.969  12.072  -2.536
  272    NH1  ARG  38           NH2      ARG  38  -6.380  12.327  -4.907
  273    NH2  ARG  38           NH1      ARG  38  -7.055  14.239  -3.852
  274    H    ARG  38           HN       ARG  38  -7.017  12.277  -1.292
  275    HA   ARG  38           HA       ARG  38  -5.741  10.459  -2.959
  276   1HB   ARG  38           HB2      ARG  38  -4.984  12.084  -0.749
  277   2HB   ARG  38           HB1      ARG  38  -4.312  10.486  -0.472
  278   1HG   ARG  38           HG2      ARG  38  -2.709  11.753  -1.782
  279   2HG   ARG  38           HG1      ARG  38  -3.403  10.511  -2.814
  280   1HD   ARG  38           HD2      ARG  38  -3.426  13.365  -3.201
  281   2HD   ARG  38           HD1      ARG  38  -4.052  12.116  -4.271
  282    HE   ARG  38           HE       ARG  38  -5.756  13.031  -2.010
  283   1HH1  ARG  38          HH21      ARG  38  -5.796  11.516  -4.918
  284   2HH1  ARG  38          HH22      ARG  38  -7.017  12.494  -5.659
  285   1HH2  ARG  38          HH11      ARG  38  -6.974  14.860  -3.072
  286   2HH2  ARG  38          HH12      ARG  38  -7.703  14.439  -4.586
  287    H    LEU  39           HN       LEU  39  -5.030   8.331  -2.797
  288    HA   LEU  39           HA       LEU  39  -6.589   6.663  -0.893
  289   1HB   LEU  39           HB2      LEU  39  -6.700   6.140  -3.331
  290   2HB   LEU  39           HB1      LEU  39  -4.968   5.841  -3.323
  291    HG   LEU  39           HG       LEU  39  -5.301   4.036  -1.629
  292   1HD1  LEU  39          HD13      LEU  39  -8.090   5.085  -1.788
  293   2HD1  LEU  39          HD12      LEU  39  -7.913   3.338  -1.662
  294   3HD1  LEU  39          HD11      LEU  39  -7.234   4.383  -0.419
  295   1HD2  LEU  39          HD23      LEU  39  -5.308   3.527  -4.068
  296   2HD2  LEU  39          HD22      LEU  39  -6.340   2.424  -3.164
  297   3HD2  LEU  39          HD21      LEU  39  -7.056   3.740  -4.089
  298    H    THR  40           HN       THR  40  -5.576   5.071   0.391
  299    HA   THR  40           HA       THR  40  -2.609   5.145   0.540
  300    HB   THR  40           HB       THR  40  -2.516   5.878   2.773
  301    HG1  THR  40           HG1      THR  40  -3.867   4.923   4.100
  302   1HG2  THR  40          HG23      THR  40  -3.750   7.670   1.418
  303   2HG2  THR  40          HG22      THR  40  -5.251   6.969   2.015
  304   3HG2  THR  40          HG21      THR  40  -4.104   7.684   3.143
  305    NH1  ARG  41           NH1      ARG  41  -0.498  -3.378   3.388
  306    NH2  ARG  41           NH2      ARG  41   1.032  -4.009   1.811
  307    H    ARG  41           HN       ARG  41  -1.751   3.385   1.920
  308    HA   ARG  41           HA       ARG  41  -3.113   0.895   1.331
  309   1HB   ARG  41           HB2      ARG  41  -0.614   1.186   1.438
  310   2HB   ARG  41           HB1      ARG  41  -0.760   1.329   3.186
  311   1HG   ARG  41           HG2      ARG  41  -0.683  -0.927   3.297
  312   2HG   ARG  41           HG1      ARG  41  -2.258  -0.958   2.513
  313   1HD   ARG  41           HD2      ARG  41  -1.109  -0.884   0.288
  314   2HD   ARG  41           HD1      ARG  41   0.442  -0.971   1.119
  315    HE   ARG  41           HE       ARG  41  -1.305  -3.205   0.621
  316   1HH1  ARG  41          HH11      ARG  41  -1.335  -2.884   3.618
  317   2HH1  ARG  41          HH12      ARG  41   0.002  -3.873   4.098
  318   1HH2  ARG  41          HH21      ARG  41   1.339  -3.988   0.861
  319   2HH2  ARG  41          HH22      ARG  41   1.557  -4.514   2.496
  320    H    GLU  42           HN       GLU  42  -2.887   2.995   4.104
  321    HA   GLU  42           HA       GLU  42  -3.941   1.046   5.995
  322   1HB   GLU  42           HB2      GLU  42  -2.701   3.516   6.205
  323   2HB   GLU  42           HB1      GLU  42  -4.359   3.857   6.690
  324   1HG   GLU  42           HG2      GLU  42  -4.252   1.910   8.266
  325   2HG   GLU  42           HG1      GLU  42  -2.558   1.693   7.835
  326    H    ASP  43           HN       ASP  43  -5.450   1.572   3.491
  327    HA   ASP  43           HA       ASP  43  -8.073   2.256   4.759
  328   1HB   ASP  43           HB2      ASP  43  -6.836   3.287   2.242
  329   2HB   ASP  43           HB1      ASP  43  -8.578   3.031   2.264
  330    H    VAL  44           HN       VAL  44  -6.362   0.521   2.213
  331    HA   VAL  44           HA       VAL  44  -8.754  -1.113   1.630
  332    HB   VAL  44           HB       VAL  44  -5.952  -1.304   0.490
  333   1HG1  VAL  44          HG12      VAL  44  -8.632  -2.446  -0.369
  334   2HG1  VAL  44          HG11      VAL  44  -7.176  -2.495  -1.357
  335   3HG1  VAL  44          HG13      VAL  44  -7.230  -3.360   0.176
  336   1HG2  VAL  44          HG22      VAL  44  -7.938   0.705   0.153
  337   2HG2  VAL  44          HG21      VAL  44  -6.457   0.497  -0.777
  338   3HG2  VAL  44          HG23      VAL  44  -7.948  -0.270  -1.313
  339    H    GLU  45           HN       GLU  45  -5.939  -1.211   3.576
  340    HA   GLU  45           HA       GLU  45  -5.512  -4.025   3.759
  341   1HB   GLU  45           HB2      GLU  45  -3.916  -2.406   4.666
  342   2HB   GLU  45           HB1      GLU  45  -5.104  -1.871   5.850
  343   1HG   GLU  45           HG2      GLU  45  -4.637  -4.793   5.813
  344   2HG   GLU  45           HG1      GLU  45  -3.249  -3.834   6.323
  345    H    LYS  46           HN       LYS  46  -7.330  -1.902   5.971
  346    HA   LYS  46           HA       LYS  46  -8.434  -3.989   7.554
  347   1HB   LYS  46           HB2      LYS  46  -8.454  -1.428   7.945
  348   2HB   LYS  46           HB1      LYS  46  -9.915  -1.433   6.963
  349   1HG   LYS  46           HG2      LYS  46 -10.946  -1.838   8.968
  350   2HG   LYS  46           HG1      LYS  46 -10.457  -3.500   8.655
  351   1HD   LYS  46           HD2      LYS  46  -8.278  -2.976   9.854
  352   2HD   LYS  46           HD1      LYS  46  -8.999  -1.446  10.340
  353   1HE   LYS  46           HE2      LYS  46  -9.788  -4.241  11.131
  354   2HE   LYS  46           HE1      LYS  46  -9.521  -2.838  12.158
  355   1HZ   LYS  46           HZ2      LYS  46 -11.542  -1.960  10.706
  356   2HZ   LYS  46           HZ1      LYS  46 -11.885  -3.622  10.661
  357   3HZ   LYS  46           HZ3      LYS  46 -11.755  -2.823  12.154
  358    H    HIS  47           HN       HIS  47  -8.993  -3.244   4.332
  359    HA   HIS  47           HA       HIS  47 -11.765  -4.297   4.345
  360   1HB   HIS  47           HB2      HIS  47 -10.801  -2.288   2.909
  361   2HB   HIS  47           HB1      HIS  47 -10.315  -3.590   1.826
  362    HD1  HIS  47           HD1      HIS  47 -13.339  -2.058   3.219
  363    HD2  HIS  47           HD2      HIS  47 -12.404  -4.933   0.514
  364    HE1  HIS  47           HE1      HIS  47 -15.429  -2.557   2.093
  365    H    LEU  48           HN       LEU  48  -8.561  -5.352   3.877
  366    HA   LEU  48           HA       LEU  48  -9.078  -7.489   2.004
  367   1HB   LEU  48           HB2      LEU  48  -6.851  -6.756   3.854
  368   2HB   LEU  48           HB1      LEU  48  -6.891  -8.398   3.230
  369    HG   LEU  48           HG       LEU  48  -7.111  -5.942   1.456
  370   1HD1  LEU  48          HD12      LEU  48  -4.930  -6.034   2.696
  371   2HD1  LEU  48          HD11      LEU  48  -4.656  -7.638   2.020
  372   3HD1  LEU  48          HD13      LEU  48  -4.740  -6.236   0.958
  373   1HD2  LEU  48          HD21      LEU  48  -7.412  -8.778   1.017
  374   2HD2  LEU  48          HD23      LEU  48  -7.536  -7.470  -0.155
  375   3HD2  LEU  48          HD22      LEU  48  -5.977  -8.220   0.166
  376    H    ALA  49           HN       ALA  49 -10.863  -8.659   2.695
  377    HA   ALA  49           HA       ALA  49 -10.775  -9.893   5.386
  378   1HB   ALA  49           HB3      ALA  49 -12.861  -8.890   4.002
  379   2HB   ALA  49           HB2      ALA  49 -12.948 -10.568   3.477
  380   3HB   ALA  49           HB1      ALA  49 -13.042 -10.175   5.191
  381    H    LYS  50           HN       LYS  50  -9.439 -11.613   5.449
  382    HA   LYS  50           HA       LYS  50  -8.630 -13.273   3.350
  383   1HB   LYS  50           HB2      LYS  50  -9.096 -14.040   6.245
  384   2HB   LYS  50           HB1      LYS  50  -8.164 -14.988   5.092
  385   1HG   LYS  50           HG2      LYS  50  -6.350 -13.715   5.532
  386   2HG   LYS  50           HG1      LYS  50  -7.215 -12.303   4.947
  387   1HD   LYS  50           HD2      LYS  50  -6.506 -11.901   7.251
  388   2HD   LYS  50           HD1      LYS  50  -8.258 -12.035   7.199
  389   1HE   LYS  50           HE2      LYS  50  -6.464 -13.558   8.784
  390   2HE   LYS  50           HE1      LYS  50  -8.202 -13.774   8.638
  391   1HZ   LYS  50           HZ2      LYS  50  -6.228 -14.970   6.781
  392   2HZ   LYS  50           HZ1      LYS  50  -6.887 -15.777   8.121
  393   3HZ   LYS  50           HZ3      LYS  50  -7.894 -15.284   6.849
  394    H    ALA  51           HN       ALA  51 -10.418 -15.107   5.662
  395    HA   ALA  51           HA       ALA  51 -11.727 -16.723   3.761
  396   1HB   ALA  51           HB2      ALA  51 -11.720 -16.437   6.601
  397   2HB   ALA  51           HB1      ALA  51 -13.396 -16.533   6.071
  398   3HB   ALA  51           HB3      ALA  51 -12.266 -17.816   5.651
   
 Raw file had 398 H/Q atoms
  Start of MODEL   27
    1    OH   TYR   1           OH       TYR   1  20.497  13.683 -13.345
    2   1H    TYR   1           HT3      TYR   1  19.369  10.509  -7.757
    3   2H    TYR   1           HT2      TYR   1  19.994  11.232  -9.160
    4   3H    TYR   1           HT1      TYR   1  19.061   9.818  -9.277
    5    HA   TYR   1           HA       TYR   1  20.864   8.580  -9.123
    6   1HB   TYR   1           HB2      TYR   1  22.667  10.839  -8.364
    7   2HB   TYR   1           HB1      TYR   1  22.926   9.542  -9.529
    8    HD1  TYR   1           HD1      TYR   1  21.458   9.589 -11.672
    9    HD2  TYR   1           HD2      TYR   1  21.937  12.955  -9.117
   10    HE1  TYR   1           HE1      TYR   1  20.721  11.068 -13.483
   11    HE2  TYR   1           HE2      TYR   1  21.200  14.434 -10.927
   12    HH   TYR   1           HH       TYR   1  20.711  13.260 -14.180
   13    H    ALA   2           HN       ALA   2  19.544  10.059  -6.585
   14    HA   ALA   2           HA       ALA   2  21.536   9.436  -4.533
   15   1HB   ALA   2           HB3      ALA   2  18.652  10.325  -4.435
   16   2HB   ALA   2           HB2      ALA   2  19.573   9.950  -2.982
   17   3HB   ALA   2           HB1      ALA   2  20.087  11.265  -4.035
   18    H    SER   3           HN       SER   3  18.494   8.537  -3.492
   19    HA   SER   3           HA       SER   3  18.934   5.649  -4.082
   20   1HB   SER   3           HB2      SER   3  18.117   6.396  -1.297
   21   2HB   SER   3           HB1      SER   3  19.073   5.010  -1.858
   22    HG   SER   3           HG1      SER   3  19.836   7.661  -1.412
   23    H    LEU   4           HN       LEU   4  16.873   4.831  -2.246
   24    HA   LEU   4           HA       LEU   4  14.593   4.930  -3.889
   25   1HB   LEU   4           HB2      LEU   4  14.845   4.556  -0.900
   26   2HB   LEU   4           HB1      LEU   4  13.321   4.364  -1.758
   27    HG   LEU   4           HG       LEU   4  15.720   2.929  -2.834
   28   1HD1  LEU   4          HD12      LEU   4  14.119   2.059  -0.402
   29   2HD1  LEU   4          HD11      LEU   4  15.238   1.027  -1.286
   30   3HD1  LEU   4          HD13      LEU   4  15.836   2.444  -0.429
   31   1HD2  LEU   4          HD23      LEU   4  13.216   3.037  -3.703
   32   2HD2  LEU   4          HD22      LEU   4  14.106   1.519  -3.761
   33   3HD2  LEU   4          HD21      LEU   4  12.954   1.816  -2.462
   34    H    GLU   5           HN       GLU   5  15.928   7.405  -2.000
   35    HA   GLU   5           HA       GLU   5  13.368   8.864  -1.726
   36   1HB   GLU   5           HB2      GLU   5  15.934   8.920  -0.411
   37   2HB   GLU   5           HB1      GLU   5  15.528  10.531  -0.993
   38   1HG   GLU   5           HG2      GLU   5  13.295  10.341   0.096
   39   2HG   GLU   5           HG1      GLU   5  13.748   8.753   0.713
   40    H    GLU   6           HN       GLU   6  12.769   9.487  -3.773
   41    HA   GLU   6           HA       GLU   6  14.466  11.580  -5.010
   42   1HB   GLU   6           HB2      GLU   6  13.666   8.989  -6.299
   43   2HB   GLU   6           HB1      GLU   6  13.860  10.433  -7.287
   44   1HG   GLU   6           HG2      GLU   6  16.153  10.733  -6.410
   45   2HG   GLU   6           HG1      GLU   6  15.961   9.300  -5.404
   46    H    GLN   7           HN       GLN   7  11.528   9.706  -5.766
   47    HA   GLN   7           HA       GLN   7  10.153  12.057  -6.778
   48   1HB   GLN   7           HB2      GLN   7   8.219  10.568  -6.989
   49   2HB   GLN   7           HB1      GLN   7   9.665   9.763  -7.589
   50   1HG   GLN   7           HG2      GLN   7   9.874   8.887  -5.116
   51   2HG   GLN   7           HG1      GLN   7   8.159   9.279  -5.028
   52   1HE2  GLN   7          HE22      GLN   7   8.583   5.753  -6.278
   53   2HE2  GLN   7          HE21      GLN   7   9.120   6.575  -4.892
   54    H    ASN   8           HN       ASN   8   7.581  11.636  -5.652
   55    HA   ASN   8           HA       ASN   8   7.760  11.904  -2.754
   56   1HB   ASN   8           HB2      ASN   8   7.502  14.318  -4.523
   57   2HB   ASN   8           HB1      ASN   8   6.720  14.303  -2.943
   58   1HD2  ASN   8          HD22      ASN   8  10.710  14.844  -3.190
   59   2HD2  ASN   8          HD21      ASN   8   9.719  14.765  -4.566
   60    H    ASN   9           HN       ASN   9   5.655  12.202  -1.765
   61    HA   ASN   9           HA       ASN   9   3.304  11.980  -1.673
   62   1HB   ASN   9           HB2      ASN   9   3.613  13.343  -3.974
   63   2HB   ASN   9           HB1      ASN   9   2.995  11.827  -4.627
   64   1HD2  ASN   9          HD22      ASN   9   0.407  14.366  -3.005
   65   2HD2  ASN   9          HD21      ASN   9   1.963  14.783  -3.539
   66    H    ASP  10           HN       ASP  10   4.429  10.250  -4.583
   67    HA   ASP  10           HA       ASP  10   2.865   7.887  -3.810
   68   1HB   ASP  10           HB2      ASP  10   4.692   8.506  -6.138
   69   2HB   ASP  10           HB1      ASP  10   3.951   6.923  -5.909
   70    H    ALA  11           HN       ALA  11   4.556   8.292  -1.780
   71    HA   ALA  11           HA       ALA  11   7.084   6.880  -2.136
   72   1HB   ALA  11           HB3      ALA  11   5.685   8.290   0.039
   73   2HB   ALA  11           HB2      ALA  11   6.663   6.926   0.572
   74   3HB   ALA  11           HB1      ALA  11   7.403   8.237  -0.341
   75    H    LEU  12           HN       LEU  12   3.885   5.902  -1.769
   76    HA   LEU  12           HA       LEU  12   4.054   3.634  -0.090
   77   1HB   LEU  12           HB2      LEU  12   2.421   3.981  -2.615
   78   2HB   LEU  12           HB1      LEU  12   2.144   2.753  -1.387
   79    HG   LEU  12           HG       LEU  12   2.319   5.574  -0.439
   80   1HD1  LEU  12          HD12      LEU  12  -0.072   4.450  -1.941
   81   2HD1  LEU  12          HD11      LEU  12  -0.070   5.954  -1.027
   82   3HD1  LEU  12          HD13      LEU  12   0.931   5.798  -2.466
   83   1HD2  LEU  12          HD23      LEU  12   1.919   3.574   1.037
   84   2HD2  LEU  12          HD22      LEU  12   0.624   4.765   1.118
   85   3HD2  LEU  12          HD21      LEU  12   0.409   3.294   0.177
   86    H    SER  13           HN       SER  13   3.403   1.405  -1.582
   87    HA   SER  13           HA       SER  13   6.034   0.781  -2.764
   88   1HB   SER  13           HB2      SER  13   5.310  -1.597  -2.541
   89   2HB   SER  13           HB1      SER  13   5.155  -0.729  -1.001
   90    HG   SER  13           HG1      SER  13   2.980  -0.239  -1.644
   91    HA   PRO  14           HA       PRO  14   4.420   0.849  -6.921
   92   1HB   PRO  14           HB2      PRO  14   5.923  -1.344  -7.919
   93   2HB   PRO  14           HB1      PRO  14   6.328   0.369  -8.044
   94   1HG   PRO  14           HG2      PRO  14   7.532  -1.674  -6.308
   95   2HG   PRO  14           HG1      PRO  14   8.096  -0.033  -6.628
   96   1HD   PRO  14           HD1      PRO  14   6.869  -0.964  -4.228
   97   2HD   PRO  14           HD2      PRO  14   7.227   0.720  -4.660
   98    H    ALA  15           HN       ALA  15   4.616  -2.170  -5.156
   99    HA   ALA  15           HA       ALA  15   2.915  -3.700  -6.919
  100   1HB   ALA  15           HB1      ALA  15   4.039  -4.038  -4.184
  101   2HB   ALA  15           HB3      ALA  15   2.638  -5.019  -4.606
  102   3HB   ALA  15           HB2      ALA  15   4.109  -5.124  -5.569
  103    H    ILE  16           HN       ILE  16   2.169  -1.083  -5.027
  104    HA   ILE  16           HA       ILE  16  -0.316  -1.929  -3.841
  105    HB   ILE  16           HB       ILE  16   1.095   0.235  -3.419
  106   1HG1  ILE  16          HG12      ILE  16  -1.942   0.269  -3.571
  107   2HG1  ILE  16          HG11      ILE  16  -0.989  -0.344  -2.226
  108   1HG2  ILE  16          HG22      ILE  16   0.696   0.843  -5.937
  109   2HG2  ILE  16          HG21      ILE  16  -0.878   1.397  -5.376
  110   3HG2  ILE  16          HG23      ILE  16   0.592   2.120  -4.729
  111   1HD1  ILE  16           HD3      ILE  16   0.073   1.995  -2.126
  112   2HD1  ILE  16           HD2      ILE  16  -1.225   2.513  -3.193
  113   3HD1  ILE  16           HD1      ILE  16  -1.598   1.875  -1.595
  114    NH1  ARG  17           NH1      ARG  17  -1.368  -0.440 -13.151
  115    NH2  ARG  17           NH2      ARG  17  -3.256   0.692 -12.536
  116    H    ARG  17           HN       ARG  17   0.518  -1.779  -7.016
  117    HA   ARG  17           HA       ARG  17  -2.162  -0.880  -7.945
  118   1HB   ARG  17           HB2      ARG  17   0.490  -1.317  -9.286
  119   2HB   ARG  17           HB1      ARG  17  -0.984  -1.290 -10.245
  120   1HG   ARG  17           HG2      ARG  17  -0.658   0.893  -8.241
  121   2HG   ARG  17           HG1      ARG  17   0.393   0.955  -9.651
  122   1HD   ARG  17           HD2      ARG  17  -2.560   0.453  -9.997
  123   2HD   ARG  17           HD1      ARG  17  -1.960   2.098  -9.793
  124    HE   ARG  17           HE       ARG  17  -0.503   1.642 -11.817
  125   1HH1  ARG  17          HH11      ARG  17  -0.388  -0.598 -13.033
  126   2HH1  ARG  17          HH12      ARG  17  -1.882  -0.965 -13.829
  127   1HH2  ARG  17          HH21      ARG  17  -3.689   1.382 -11.956
  128   2HH2  ARG  17          HH22      ARG  17  -3.800   0.186 -13.204
  129    NH1  ARG  18           NH1      ARG  18   3.679  -7.451 -12.247
  130    NH2  ARG  18           NH2      ARG  18   2.070  -8.535 -13.453
  131    H    ARG  18           HN       ARG  18   0.056  -3.499  -8.893
  132    HA   ARG  18           HA       ARG  18  -1.943  -5.173 -10.004
  133   1HB   ARG  18           HB2      ARG  18   0.637  -6.023  -8.664
  134   2HB   ARG  18           HB1      ARG  18  -0.299  -6.979  -9.809
  135   1HG   ARG  18           HG2      ARG  18   0.182  -4.370 -10.933
  136   2HG   ARG  18           HG1      ARG  18   1.711  -5.057 -10.398
  137   1HD   ARG  18           HD2      ARG  18  -0.310  -6.536 -12.117
  138   2HD   ARG  18           HD1      ARG  18   1.112  -5.708 -12.750
  139    HE   ARG  18           HE       ARG  18   1.404  -7.901 -10.741
  140   1HH1  ARG  18          HH11      ARG  18   3.924  -6.890 -11.457
  141   2HH1  ARG  18          HH12      ARG  18   4.385  -7.742 -12.893
  142   1HH2  ARG  18          HH21      ARG  18   1.108  -8.787 -13.567
  143   2HH2  ARG  18          HH22      ARG  18   2.749  -8.844 -14.119
  144    H    LEU  19           HN       LEU  19  -1.553  -4.260  -6.820
  145    HA   LEU  19           HA       LEU  19  -2.266  -6.706  -5.469
  146   1HB   LEU  19           HB2      LEU  19  -1.264  -4.593  -4.433
  147   2HB   LEU  19           HB1      LEU  19  -2.887  -3.917  -4.490
  148    HG   LEU  19           HG       LEU  19  -3.445  -6.315  -3.364
  149   1HD1  LEU  19          HD13      LEU  19  -1.027  -6.951  -3.389
  150   2HD1  LEU  19          HD12      LEU  19  -0.677  -5.566  -2.359
  151   3HD1  LEU  19          HD11      LEU  19  -1.680  -6.882  -1.755
  152   1HD2  LEU  19          HD23      LEU  19  -2.411  -3.845  -1.925
  153   2HD2  LEU  19          HD22      LEU  19  -4.068  -4.109  -2.458
  154   3HD2  LEU  19          HD21      LEU  19  -3.383  -5.112  -1.184
  155    H    LEU  20           HN       LEU  20  -4.079  -4.222  -7.099
  156    HA   LEU  20           HA       LEU  20  -6.654  -5.013  -5.983
  157   1HB   LEU  20           HB2      LEU  20  -6.172  -3.469  -8.537
  158   2HB   LEU  20           HB1      LEU  20  -7.608  -3.437  -7.519
  159    HG   LEU  20           HG       LEU  20  -4.842  -2.473  -6.711
  160   1HD1  LEU  20          HD11      LEU  20  -6.149  -1.038  -8.343
  161   2HD1  LEU  20          HD13      LEU  20  -7.410  -0.909  -7.121
  162   3HD1  LEU  20          HD12      LEU  20  -5.807  -0.253  -6.805
  163   1HD2  LEU  20          HD23      LEU  20  -7.412  -2.925  -5.237
  164   2HD2  LEU  20          HD22      LEU  20  -5.754  -3.127  -4.677
  165   3HD2  LEU  20          HD21      LEU  20  -6.451  -1.513  -4.805
  166    H    ALA  21           HN       ALA  21  -5.235  -5.284  -9.238
  167    HA   ALA  21           HA       ALA  21  -7.191  -6.928 -10.397
  168   1HB   ALA  21           HB1      ALA  21  -4.624  -6.026 -11.096
  169   2HB   ALA  21           HB3      ALA  21  -4.543  -7.781 -11.210
  170   3HB   ALA  21           HB2      ALA  21  -5.753  -6.895 -12.132
  171    H    GLU  22           HN       GLU  22  -4.602  -7.769  -8.192
  172    HA   GLU  22           HA       GLU  22  -4.710 -10.609  -8.516
  173   1HB   GLU  22           HB2      GLU  22  -3.053  -9.049  -7.162
  174   2HB   GLU  22           HB1      GLU  22  -4.154  -9.399  -5.834
  175   1HG   GLU  22           HG2      GLU  22  -3.902 -11.869  -6.442
  176   2HG   GLU  22           HG1      GLU  22  -2.586 -11.383  -7.506
  177    H    HIS  23           HN       HIS  23  -6.392  -8.441  -6.264
  178    HA   HIS  23           HA       HIS  23  -8.145 -10.715  -5.456
  179   1HB   HIS  23           HB2      HIS  23  -8.035  -7.964  -4.206
  180   2HB   HIS  23           HB1      HIS  23  -8.704  -9.439  -3.512
  181    HD1  HIS  23           HD1      HIS  23  -6.660 -11.352  -3.490
  182    HD2  HIS  23           HD2      HIS  23  -5.552  -7.460  -3.210
  183    HE1  HIS  23           HE1      HIS  23  -4.426 -11.406  -2.541
  184    H    ASN  24           HN       ASN  24  -8.123  -8.616  -7.846
  185    HA   ASN  24           HA       ASN  24  -9.761  -7.439  -9.074
  186   1HB   ASN  24           HB2      ASN  24 -11.379  -9.750  -7.968
  187   2HB   ASN  24           HB1      ASN  24 -11.874  -8.729  -9.315
  188   1HD2  ASN  24          HD22      ASN  24  -9.844 -10.398 -11.657
  189   2HD2  ASN  24          HD21      ASN  24 -11.009  -9.197 -11.370
  190    H    LEU  25           HN       LEU  25  -9.363  -6.332  -6.524
  191    HA   LEU  25           HA       LEU  25 -12.104  -5.726  -5.537
  192   1HB   LEU  25           HB2      LEU  25  -9.359  -5.547  -4.392
  193   2HB   LEU  25           HB1      LEU  25 -10.547  -4.387  -3.816
  194    HG   LEU  25           HG       LEU  25 -11.072  -7.378  -3.928
  195   1HD1  LEU  25          HD13      LEU  25  -9.173  -6.901  -2.413
  196   2HD1  LEU  25          HD12      LEU  25 -10.143  -5.688  -1.582
  197   3HD1  LEU  25          HD11      LEU  25 -10.599  -7.386  -1.502
  198   1HD2  LEU  25          HD23      LEU  25 -12.706  -5.073  -3.383
  199   2HD2  LEU  25          HD22      LEU  25 -13.165  -6.770  -3.327
  200   3HD2  LEU  25          HD21      LEU  25 -12.519  -5.986  -1.891
  201    H    ASP  26           HN       ASP  26 -13.012  -3.732  -5.732
  202    HA   ASP  26           HA       ASP  26 -11.656  -1.835  -7.543
  203   1HB   ASP  26           HB2      ASP  26 -14.450  -2.180  -6.514
  204   2HB   ASP  26           HB1      ASP  26 -13.962  -0.613  -7.156
  205    H    ALA  27           HN       ALA  27 -10.390  -0.300  -6.714
  206    HA   ALA  27           HA       ALA  27 -10.262   0.367  -3.940
  207   1HB   ALA  27           HB1      ALA  27  -9.019   1.275  -6.425
  208   2HB   ALA  27           HB3      ALA  27  -9.254   2.585  -5.272
  209   3HB   ALA  27           HB2      ALA  27  -8.331   1.160  -4.809
  210    H    SER  28           HN       SER  28 -12.313   1.468  -6.486
  211    HA   SER  28           HA       SER  28 -13.074   3.984  -5.266
  212   1HB   SER  28           HB2      SER  28 -14.225   2.268  -7.465
  213   2HB   SER  28           HB1      SER  28 -15.102   3.691  -6.868
  214    HG   SER  28           HG1      SER  28 -13.700   4.420  -8.424
  215    H    ALA  29           HN       ALA  29 -14.036   0.680  -4.877
  216    HA   ALA  29           HA       ALA  29 -16.562   1.280  -3.549
  217   1HB   ALA  29           HB3      ALA  29 -15.515  -0.969  -4.695
  218   2HB   ALA  29           HB2      ALA  29 -15.276  -1.315  -2.985
  219   3HB   ALA  29           HB1      ALA  29 -16.891  -0.972  -3.596
  220    H    ILE  30           HN       ILE  30 -13.296   1.338  -2.643
  221    HA   ILE  30           HA       ILE  30 -13.880   0.886   0.225
  222    HB   ILE  30           HB       ILE  30 -11.250   1.598  -1.106
  223   1HG1  ILE  30          HG12      ILE  30 -12.047  -0.490  -2.057
  224   2HG1  ILE  30          HG11      ILE  30 -10.773  -0.868  -0.908
  225   1HG2  ILE  30          HG22      ILE  30 -12.093   1.186   1.663
  226   2HG2  ILE  30          HG21      ILE  30 -10.801   0.084   1.207
  227   3HG2  ILE  30          HG23      ILE  30 -10.574   1.820   1.042
  228   1HD1  ILE  30           HD2      ILE  30 -12.774  -1.102   0.804
  229   2HD1  ILE  30           HD1      ILE  30 -13.745  -1.293  -0.649
  230   3HD1  ILE  30           HD3      ILE  30 -12.434  -2.417  -0.311
  231    H    LYS  31           HN       LYS  31 -13.818   2.481   1.762
  232    HA   LYS  31           HA       LYS  31 -14.024   5.245   0.751
  233   1HB   LYS  31           HB2      LYS  31 -14.348   4.180   3.567
  234   2HB   LYS  31           HB1      LYS  31 -14.799   5.785   3.005
  235   1HG   LYS  31           HG2      LYS  31 -16.184   4.395   1.207
  236   2HG   LYS  31           HG1      LYS  31 -16.099   3.143   2.441
  237   1HD   LYS  31           HD2      LYS  31 -17.148   5.965   2.838
  238   2HD   LYS  31           HD1      LYS  31 -18.124   4.501   2.763
  239   1HE   LYS  31           HE2      LYS  31 -16.135   5.312   4.891
  240   2HE   LYS  31           HE1      LYS  31 -17.838   4.918   5.089
  241   1HZ   LYS  31           HZ3      LYS  31 -17.097   2.640   4.148
  242   2HZ   LYS  31           HZ2      LYS  31 -15.554   3.125   4.666
  243   3HZ   LYS  31           HZ1      LYS  31 -16.828   3.007   5.784
  244    H    GLY  32           HN       GLY  32 -12.499   6.778   0.999
  245   1HA   GLY  32           HA2      GLY  32  -9.911   5.963   2.153
  246   2HA   GLY  32           HA1      GLY  32 -10.215   7.440   1.242
  247    H    THR  33           HN       THR  33  -8.748   7.820   3.394
  248    HA   THR  33           HA       THR  33 -10.580   9.286   5.197
  249    HB   THR  33           HB       THR  33  -9.411   8.311   7.233
  250    HG1  THR  33           HG1      THR  33  -8.151   6.459   6.737
  251   1HG2  THR  33          HG21      THR  33 -11.570   7.269   6.158
  252   2HG2  THR  33          HG23      THR  33 -10.472   6.045   5.530
  253   3HG2  THR  33          HG22      THR  33 -10.640   6.269   7.268
  254    H    GLY  34           HN       GLY  34  -8.228   9.604   3.191
  255   1HA   GLY  34           HA2      GLY  34  -5.969  10.652   4.523
  256   2HA   GLY  34           HA1      GLY  34  -6.508  11.183   2.931
  257    H    VAL  35           HN       VAL  35  -5.364  12.995   4.642
  258    HA   VAL  35           HA       VAL  35  -7.111  14.409   6.367
  259    HB   VAL  35           HB       VAL  35  -4.858  15.437   4.625
  260   1HG1  VAL  35          HG12      VAL  35  -6.706  16.762   6.545
  261   2HG1  VAL  35          HG11      VAL  35  -4.997  17.149   6.729
  262   3HG1  VAL  35          HG13      VAL  35  -5.809  17.452   5.195
  263   1HG2  VAL  35          HG21      VAL  35  -4.353  13.670   6.374
  264   2HG2  VAL  35          HG23      VAL  35  -3.516  15.198   6.625
  265   3HG2  VAL  35          HG22      VAL  35  -4.933  14.802   7.592
  266    H    GLY  36           HN       GLY  36  -6.735  14.527   2.876
  267   1HA   GLY  36           HA2      GLY  36  -8.789  16.665   2.698
  268   2HA   GLY  36           HA1      GLY  36  -7.792  16.094   1.363
  269    H    GLY  37           HN       GLY  37  -8.175  13.375   1.516
  270   1HA   GLY  37           HA2      GLY  37 -10.450  12.051   1.884
  271   2HA   GLY  37           HA1      GLY  37 -11.011  13.180   0.655
  272    NH1  ARG  38           NH2      ARG  38  -1.666  12.920  -1.060
  273    NH2  ARG  38           NH1      ARG  38  -3.089  13.483  -2.758
  274    H    ARG  38           HN       ARG  38  -7.783  11.799   0.770
  275    HA   ARG  38           HA       ARG  38  -8.293  10.573  -1.891
  276   1HB   ARG  38           HB2      ARG  38  -5.962  10.663  -2.256
  277   2HB   ARG  38           HB1      ARG  38  -6.312  12.153  -1.387
  278   1HG   ARG  38           HG2      ARG  38  -5.859  10.643   0.744
  279   2HG   ARG  38           HG1      ARG  38  -4.957   9.660  -0.404
  280   1HD   ARG  38           HD2      ARG  38  -4.541  12.626   0.117
  281   2HD   ARG  38           HD1      ARG  38  -3.460  11.324   0.612
  282    HE   ARG  38           HE       ARG  38  -3.635  10.966  -2.113
  283   1HH1  ARG  38          HH21      ARG  38  -1.433  12.306  -0.307
  284   2HH1  ARG  38          HH22      ARG  38  -1.072  13.696  -1.275
  285   1HH2  ARG  38          HH11      ARG  38  -3.922  13.291  -3.275
  286   2HH2  ARG  38          HH12      ARG  38  -2.518  14.267  -3.001
  287    H    LEU  39           HN       LEU  39  -7.289   8.434  -2.307
  288    HA   LEU  39           HA       LEU  39  -7.894   6.619  -0.058
  289   1HB   LEU  39           HB2      LEU  39  -8.708   6.247  -2.452
  290   2HB   LEU  39           HB1      LEU  39  -7.042   5.859  -2.856
  291    HG   LEU  39           HG       LEU  39  -7.069   4.111  -1.036
  292   1HD1  LEU  39          HD11      LEU  39  -9.738   5.294  -0.630
  293   2HD1  LEU  39          HD13      LEU  39  -9.768   3.539  -0.755
  294   3HD1  LEU  39          HD12      LEU  39  -8.768   4.318   0.467
  295   1HD2  LEU  39          HD21      LEU  39  -7.458   3.541  -3.416
  296   2HD2  LEU  39          HD23      LEU  39  -8.388   2.494  -2.349
  297   3HD2  LEU  39          HD22      LEU  39  -9.182   3.818  -3.195
  298    H    THR  40           HN       THR  40  -6.420   5.080   0.742
  299    HA   THR  40           HA       THR  40  -3.597   5.299  -0.130
  300    HB   THR  40           HB       THR  40  -2.748   6.042   1.955
  301    HG1  THR  40           HG1      THR  40  -4.392   5.869   3.762
  302   1HG2  THR  40          HG21      THR  40  -4.308   7.831   1.001
  303   2HG2  THR  40          HG23      THR  40  -5.568   7.182   2.047
  304   3HG2  THR  40          HG22      THR  40  -4.119   7.894   2.751
  305    NH1  ARG  41           NH2      ARG  41   0.347  -0.385   5.528
  306    NH2  ARG  41           NH1      ARG  41   2.312  -0.424   4.363
  307    H    ARG  41           HN       ARG  41  -2.478   3.868   1.988
  308    HA   ARG  41           HA       ARG  41  -3.632   1.188   1.450
  309   1HB   ARG  41           HB2      ARG  41  -1.288   1.263   1.049
  310   2HB   ARG  41           HB1      ARG  41  -0.983   2.133   2.548
  311   1HG   ARG  41           HG2      ARG  41  -1.393   0.224   3.881
  312   2HG   ARG  41           HG1      ARG  41  -2.257  -0.603   2.589
  313   1HD   ARG  41           HD2      ARG  41  -0.315  -1.292   1.549
  314   2HD   ARG  41           HD1      ARG  41   0.582   0.142   2.044
  315    HE   ARG  41           HE       ARG  41   0.400  -2.348   3.537
  316   1HH1  ARG  41          HH21      ARG  41  -0.622  -0.627   5.582
  317   2HH1  ARG  41          HH22      ARG  41   0.779   0.115   6.279
  318   1HH2  ARG  41          HH11      ARG  41   2.816  -0.697   3.544
  319   2HH2  ARG  41          HH12      ARG  41   2.778   0.075   5.094
  320    H    GLU  42           HN       GLU  42  -3.296   3.520   3.964
  321    HA   GLU  42           HA       GLU  42  -3.682   1.694   6.186
  322   1HB   GLU  42           HB2      GLU  42  -2.641   3.903   6.497
  323   2HB   GLU  42           HB1      GLU  42  -4.135   4.685   5.995
  324   1HG   GLU  42           HG2      GLU  42  -5.197   4.228   7.988
  325   2HG   GLU  42           HG1      GLU  42  -4.367   2.688   8.195
  326    H    ASP  43           HN       ASP  43  -5.631   2.038   3.756
  327    HA   ASP  43           HA       ASP  43  -8.112   1.967   5.431
  328   1HB   ASP  43           HB2      ASP  43  -7.700   3.313   2.752
  329   2HB   ASP  43           HB1      ASP  43  -9.290   3.004   3.447
  330    H    VAL  44           HN       VAL  44  -6.659   1.085   2.319
  331    HA   VAL  44           HA       VAL  44  -8.672  -0.845   1.619
  332    HB   VAL  44           HB       VAL  44  -5.794  -0.508   0.749
  333   1HG1  VAL  44          HG11      VAL  44  -7.914  -2.504  -0.065
  334   2HG1  VAL  44          HG13      VAL  44  -6.643  -2.022  -1.185
  335   3HG1  VAL  44          HG12      VAL  44  -6.225  -2.805   0.336
  336   1HG2  VAL  44          HG23      VAL  44  -7.964   1.042   0.200
  337   2HG2  VAL  44          HG22      VAL  44  -6.639   0.803  -0.935
  338   3HG2  VAL  44          HG21      VAL  44  -8.107  -0.158  -1.082
  339    H    GLU  45           HN       GLU  45  -5.988  -0.917   3.771
  340    HA   GLU  45           HA       GLU  45  -5.547  -3.763   3.807
  341   1HB   GLU  45           HB2      GLU  45  -4.307  -1.595   4.939
  342   2HB   GLU  45           HB1      GLU  45  -5.093  -2.322   6.336
  343   1HG   GLU  45           HG2      GLU  45  -4.122  -4.561   5.509
  344   2HG   GLU  45           HG1      GLU  45  -3.107  -3.596   4.442
  345    H    LYS  46           HN       LYS  46  -7.331  -1.634   6.039
  346    HA   LYS  46           HA       LYS  46  -8.370  -3.509   7.799
  347   1HB   LYS  46           HB2      LYS  46  -9.408  -0.946   6.683
  348   2HB   LYS  46           HB1      LYS  46 -10.542  -1.954   7.573
  349   1HG   LYS  46           HG2      LYS  46  -9.426  -0.372   9.097
  350   2HG   LYS  46           HG1      LYS  46  -8.963  -2.023   9.491
  351   1HD   LYS  46           HD2      LYS  46  -6.859  -1.770   8.272
  352   2HD   LYS  46           HD1      LYS  46  -7.335  -0.169   7.719
  353   1HE   LYS  46           HE2      LYS  46  -6.784  -1.028  10.575
  354   2HE   LYS  46           HE1      LYS  46  -5.859   0.122   9.619
  355   1HZ   LYS  46           HZ1      LYS  46  -7.813   1.558   9.552
  356   2HZ   LYS  46           HZ3      LYS  46  -8.663   0.460  10.528
  357   3HZ   LYS  46           HZ2      LYS  46  -7.301   1.266  11.144
  358    H    HIS  47           HN       HIS  47  -9.179  -3.054   4.458
  359    HA   HIS  47           HA       HIS  47 -11.677  -4.481   4.454
  360   1HB   HIS  47           HB2      HIS  47 -10.460  -2.996   2.607
  361   2HB   HIS  47           HB1      HIS  47  -9.882  -4.570   2.067
  362    HD1  HIS  47           HD1      HIS  47 -13.210  -3.296   3.158
  363    HD2  HIS  47           HD2      HIS  47 -11.610  -5.634   0.253
  364    HE1  HIS  47           HE1      HIS  47 -15.101  -3.995   1.807
  365    H    LEU  48           HN       LEU  48  -8.359  -5.497   3.680
  366    HA   LEU  48           HA       LEU  48  -9.255  -8.329   3.694
  367   1HB   LEU  48           HB2      LEU  48  -6.588  -7.091   2.961
  368   2HB   LEU  48           HB1      LEU  48  -6.983  -8.801   2.821
  369    HG   LEU  48           HG       LEU  48  -8.869  -6.873   1.541
  370   1HD1  LEU  48          HD11      LEU  48  -6.033  -7.389   0.644
  371   2HD1  LEU  48          HD13      LEU  48  -7.297  -7.043  -0.531
  372   3HD1  LEU  48          HD12      LEU  48  -6.900  -5.858   0.709
  373   1HD2  LEU  48          HD23      LEU  48  -9.188  -9.350   1.517
  374   2HD2  LEU  48          HD22      LEU  48  -9.001  -8.691  -0.105
  375   3HD2  LEU  48          HD21      LEU  48  -7.652  -9.517   0.670
  376    H    ALA  49           HN       ALA  49  -9.141  -9.422   5.548
  377    HA   ALA  49           HA       ALA  49  -7.853  -8.445   7.905
  378   1HB   ALA  49           HB2      ALA  49  -9.725 -10.110   7.865
  379   2HB   ALA  49           HB1      ALA  49  -8.585 -11.316   7.278
  380   3HB   ALA  49           HB3      ALA  49  -8.373 -10.609   8.877
  381    H    LYS  50           HN       LYS  50  -6.465 -10.632   8.926
  382    HA   LYS  50           HA       LYS  50  -3.821 -10.154   8.165
  383   1HB   LYS  50           HB2      LYS  50  -5.223 -12.382   9.544
  384   2HB   LYS  50           HB1      LYS  50  -3.599 -12.720   8.954
  385   1HG   LYS  50           HG2      LYS  50  -2.680 -10.866  10.201
  386   2HG   LYS  50           HG1      LYS  50  -4.286 -10.278  10.617
  387   1HD   LYS  50           HD2      LYS  50  -3.267 -11.518  12.508
  388   2HD   LYS  50           HD1      LYS  50  -4.711 -12.332  11.918
  389   1HE   LYS  50           HE2      LYS  50  -3.489 -14.046  10.896
  390   2HE   LYS  50           HE1      LYS  50  -2.040 -13.061  10.752
  391   1HZ   LYS  50           HZ2      LYS  50  -2.852 -13.462  13.469
  392   2HZ   LYS  50           HZ1      LYS  50  -2.510 -14.919  12.664
  393   3HZ   LYS  50           HZ3      LYS  50  -1.334 -13.696  12.742
  394    H    ALA  51           HN       ALA  51  -3.314 -10.133   6.023
  395    HA   ALA  51           HA       ALA  51  -4.193 -12.265   4.223
  396   1HB   ALA  51           HB1      ALA  51  -2.560  -9.771   3.967
  397   2HB   ALA  51           HB3      ALA  51  -2.412 -11.003   2.718
  398   3HB   ALA  51           HB2      ALA  51  -3.979 -10.274   3.054
   
 Raw file had 398 H/Q atoms
  Start of MODEL   28
    1    OH   TYR   1           OH       TYR   1  27.633  13.841  -8.600
    2   1H    TYR   1           HT3      TYR   1  25.745   5.860 -10.108
    3   2H    TYR   1           HT2      TYR   1  26.404   5.909  -8.544
    4   3H    TYR   1           HT1      TYR   1  24.730   6.096  -8.767
    5    HA   TYR   1           HA       TYR   1  25.171   8.270  -8.617
    6   1HB   TYR   1           HB2      TYR   1  27.564   7.738  -7.996
    7   2HB   TYR   1           HB1      TYR   1  27.958   7.817  -9.711
    8    HD1  TYR   1           HD1      TYR   1  26.277   9.818  -7.029
    9    HD2  TYR   1           HD2      TYR   1  28.499   9.900 -10.655
   10    HE1  TYR   1           HE1      TYR   1  26.427  12.261  -6.882
   11    HE2  TYR   1           HE2      TYR   1  28.650  12.343 -10.506
   12    HH   TYR   1           HH       TYR   1  26.914  14.149  -8.044
   13    H    ALA   2           HN       ALA   2  24.916   6.373 -11.178
   14    HA   ALA   2           HA       ALA   2  24.584   8.685 -13.021
   15   1HB   ALA   2           HB1      ALA   2  26.796   7.143 -13.255
   16   2HB   ALA   2           HB3      ALA   2  25.676   6.214 -14.247
   17   3HB   ALA   2           HB2      ALA   2  26.006   7.901 -14.633
   18    H    SER   3           HN       SER   3  23.170   6.216 -11.515
   19    HA   SER   3           HA       SER   3  21.528   5.312 -13.826
   20   1HB   SER   3           HB2      SER   3  20.708   4.126 -11.335
   21   2HB   SER   3           HB1      SER   3  21.511   3.341 -12.708
   22    HG   SER   3           HG1      SER   3  23.173   3.300 -11.411
   23    H    LEU   4           HN       LEU   4  19.118   4.858 -12.899
   24    HA   LEU   4           HA       LEU   4  18.086   7.559 -12.329
   25   1HB   LEU   4           HB2      LEU   4  15.841   6.267 -12.554
   26   2HB   LEU   4           HB1      LEU   4  16.827   6.484 -13.996
   27    HG   LEU   4           HG       LEU   4  17.458   4.080 -12.371
   28   1HD1  LEU   4          HD12      LEU   4  14.830   4.462 -13.833
   29   2HD1  LEU   4          HD11      LEU   4  15.513   2.870 -13.518
   30   3HD1  LEU   4          HD13      LEU   4  15.070   3.919 -12.175
   31   1HD2  LEU   4          HD21      LEU   4  18.446   4.777 -14.630
   32   2HD2  LEU   4          HD23      LEU   4  17.835   3.129 -14.542
   33   3HD2  LEU   4          HD22      LEU   4  16.880   4.380 -15.331
   34    H    GLU   5           HN       GLU   5  16.331   4.825 -11.162
   35    HA   GLU   5           HA       GLU   5  16.021   5.953  -8.540
   36   1HB   GLU   5           HB2      GLU   5  14.545   4.218  -9.822
   37   2HB   GLU   5           HB1      GLU   5  15.627   3.028  -9.106
   38   1HG   GLU   5           HG2      GLU   5  15.161   4.139  -6.854
   39   2HG   GLU   5           HG1      GLU   5  13.880   5.041  -7.661
   40    H    GLU   6           HN       GLU   6  17.202   5.716  -6.730
   41    HA   GLU   6           HA       GLU   6  19.169   3.503  -6.552
   42   1HB   GLU   6           HB2      GLU   6  20.169   5.701  -7.554
   43   2HB   GLU   6           HB1      GLU   6  20.077   6.292  -5.899
   44   1HG   GLU   6           HG2      GLU   6  21.367   4.285  -5.149
   45   2HG   GLU   6           HG1      GLU   6  21.525   3.790  -6.832
   46    H    GLN   7           HN       GLN   7  17.799   6.363  -4.971
   47    HA   GLN   7           HA       GLN   7  18.409   5.381  -2.299
   48   1HB   GLN   7           HB2      GLN   7  16.687   7.640  -3.324
   49   2HB   GLN   7           HB1      GLN   7  16.880   7.289  -1.610
   50   1HG   GLN   7           HG2      GLN   7  18.515   8.988  -2.253
   51   2HG   GLN   7           HG1      GLN   7  19.369   7.486  -1.906
   52   1HE2  GLN   7          HE22      GLN   7  20.942   7.884  -5.042
   53   2HE2  GLN   7          HE21      GLN   7  21.133   7.809  -3.357
   54    H    ASN   8           HN       ASN   8  15.253   6.574  -2.579
   55    HA   ASN   8           HA       ASN   8  14.053   3.854  -2.552
   56   1HB   ASN   8           HB2      ASN   8  14.333   5.620  -0.252
   57   2HB   ASN   8           HB1      ASN   8  12.646   5.223  -0.570
   58   1HD2  ASN   8          HD22      ASN   8  13.125   2.159   1.083
   59   2HD2  ASN   8          HD21      ASN   8  12.214   3.583   0.931
   60    H    ASN   9           HN       ASN   9  11.719   3.892  -2.855
   61    HA   ASN   9           HA       ASN   9  10.879   5.587  -4.949
   62   1HB   ASN   9           HB2      ASN   9   9.401   3.880  -2.965
   63   2HB   ASN   9           HB1      ASN   9   8.509   4.883  -4.104
   64   1HD2  ASN   9          HD22      ASN   9  10.083   3.092  -6.948
   65   2HD2  ASN   9          HD21      ASN   9   9.967   4.704  -6.431
   66    H    ASP  10           HN       ASP  10  10.924   7.758  -4.744
   67    HA   ASP  10           HA       ASP  10   9.935   9.012  -2.250
   68   1HB   ASP  10           HB2      ASP  10  10.592  11.104  -3.847
   69   2HB   ASP  10           HB1      ASP  10  11.761  10.259  -2.834
   70    H    ALA  11           HN       ALA  11   8.384   7.709  -4.651
   71    HA   ALA  11           HA       ALA  11   6.316   9.865  -4.762
   72   1HB   ALA  11           HB1      ALA  11   7.597   9.763  -6.908
   73   2HB   ALA  11           HB3      ALA  11   7.094   8.084  -7.085
   74   3HB   ALA  11           HB2      ALA  11   5.892   9.370  -7.107
   75    H    LEU  12           HN       LEU  12   5.237   7.595  -6.754
   76    HA   LEU  12           HA       LEU  12   3.663   6.290  -4.603
   77   1HB   LEU  12           HB2      LEU  12   3.304   6.447  -7.601
   78   2HB   LEU  12           HB1      LEU  12   2.271   5.474  -6.558
   79    HG   LEU  12           HG       LEU  12   2.705   8.296  -5.714
   80   1HD1  LEU  12          HD12      LEU  12   1.039   7.506  -8.127
   81   2HD1  LEU  12          HD11      LEU  12   0.910   9.056  -7.300
   82   3HD1  LEU  12          HD13      LEU  12   2.406   8.614  -8.117
   83   1HD2  LEU  12          HD22      LEU  12   1.240   6.618  -4.534
   84   2HD2  LEU  12          HD21      LEU  12   0.377   8.068  -5.037
   85   3HD2  LEU  12          HD23      LEU  12   0.213   6.579  -5.963
   86    H    SER  13           HN       SER  13   3.261   3.971  -4.723
   87    HA   SER  13           HA       SER  13   5.721   2.535  -5.482
   88   1HB   SER  13           HB2      SER  13   3.339   1.688  -3.820
   89   2HB   SER  13           HB1      SER  13   4.780   0.691  -4.098
   90    HG   SER  13           HG1      SER  13   5.916   2.751  -3.444
   91    HA   PRO  14           HA       PRO  14   3.422   1.204  -9.179
   92   1HB   PRO  14           HB2      PRO  14   5.414  -0.781  -9.779
   93   2HB   PRO  14           HB1      PRO  14   5.119   0.750 -10.605
   94   1HG   PRO  14           HG2      PRO  14   7.324   0.095  -8.856
   95   2HG   PRO  14           HG1      PRO  14   7.015   1.633  -9.664
   96   1HD   PRO  14           HD1      PRO  14   6.720   1.008  -6.857
   97   2HD   PRO  14           HD2      PRO  14   6.433   2.564  -7.664
   98    H    ALA  15           HN       ALA  15   4.202  -0.456  -6.384
   99    HA   ALA  15           HA       ALA  15   2.995  -3.021  -7.222
  100   1HB   ALA  15           HB3      ALA  15   5.001  -2.618  -5.546
  101   2HB   ALA  15           HB2      ALA  15   3.700  -2.394  -4.380
  102   3HB   ALA  15           HB1      ALA  15   3.846  -3.916  -5.254
  103    H    ILE  16           HN       ILE  16   2.039  -0.053  -5.876
  104    HA   ILE  16           HA       ILE  16  -0.203  -1.056  -4.311
  105    HB   ILE  16           HB       ILE  16   1.060   1.247  -4.160
  106   1HG1  ILE  16          HG12      ILE  16  -1.961   1.010  -3.953
  107   2HG1  ILE  16          HG11      ILE  16  -0.811   0.547  -2.704
  108   1HG2  ILE  16          HG23      ILE  16   0.344   1.682  -6.630
  109   2HG2  ILE  16          HG22      ILE  16  -1.225   2.085  -5.939
  110   3HG2  ILE  16          HG21      ILE  16   0.204   3.005  -5.476
  111   1HD1  ILE  16           HD3      ILE  16   0.036   3.061  -3.082
  112   2HD1  ILE  16           HD2      ILE  16  -1.630   3.278  -3.612
  113   3HD1  ILE  16           HD1      ILE  16  -1.292   2.697  -1.985
  114    NH1  ARG  17           NH1      ARG  17  -0.373   1.167 -13.627
  115    NH2  ARG  17           NH2      ARG  17   0.697  -0.783 -13.106
  116    H    ARG  17           HN       ARG  17   0.373  -0.373  -7.624
  117    HA   ARG  17           HA       ARG  17  -2.402   0.072  -8.373
  118   1HB   ARG  17           HB2      ARG  17  -0.156  -0.859 -10.170
  119   2HB   ARG  17           HB1      ARG  17  -1.614   0.009 -10.638
  120   1HG   ARG  17           HG2      ARG  17  -0.777   1.844  -8.984
  121   2HG   ARG  17           HG1      ARG  17   0.781   1.036  -9.117
  122   1HD   ARG  17           HD2      ARG  17  -0.857   2.092 -11.450
  123   2HD   ARG  17           HD1      ARG  17   0.591   2.851 -10.790
  124    HE   ARG  17           HE       ARG  17   1.875   0.883 -11.576
  125   1HH1  ARG  17          HH11      ARG  17  -0.568   2.123 -13.405
  126   2HH1  ARG  17          HH12      ARG  17  -0.781   0.750 -14.439
  127   1HH2  ARG  17          HH21      ARG  17   1.304  -1.290 -12.494
  128   2HH2  ARG  17          HH22      ARG  17   0.307  -1.234 -13.910
  129    NH1  ARG  18           NH1      ARG  18   0.619  -7.708 -12.915
  130    NH2  ARG  18           NH2      ARG  18   2.862  -7.891 -12.518
  131    H    ARG  18           HN       ARG  18  -0.203  -2.695  -8.393
  132    HA   ARG  18           HA       ARG  18  -2.159  -4.490  -9.587
  133   1HB   ARG  18           HB2      ARG  18   0.570  -4.748  -8.413
  134   2HB   ARG  18           HB1      ARG  18  -0.414  -6.202  -8.513
  135   1HG   ARG  18           HG2      ARG  18  -0.597  -6.057 -10.870
  136   2HG   ARG  18           HG1      ARG  18  -0.115  -4.364 -10.891
  137   1HD   ARG  18           HD2      ARG  18   2.163  -4.953 -10.246
  138   2HD   ARG  18           HD1      ARG  18   1.705  -6.642 -10.039
  139    HE   ARG  18           HE       ARG  18   1.951  -5.236 -12.648
  140   1HH1  ARG  18          HH11      ARG  18  -0.214  -7.156 -12.883
  141   2HH1  ARG  18          HH12      ARG  18   0.586  -8.644 -13.267
  142   1HH2  ARG  18          HH21      ARG  18   3.710  -7.474 -12.189
  143   2HH2  ARG  18          HH22      ARG  18   2.866  -8.829 -12.863
  144    H    LEU  19           HN       LEU  19  -1.343  -3.470  -6.375
  145    HA   LEU  19           HA       LEU  19  -2.235  -5.527  -4.744
  146   1HB   LEU  19           HB2      LEU  19  -1.429  -3.202  -4.058
  147   2HB   LEU  19           HB1      LEU  19  -3.086  -2.661  -4.308
  148    HG   LEU  19           HG       LEU  19  -3.577  -4.837  -2.791
  149   1HD1  LEU  19          HD11      LEU  19  -1.149  -5.362  -2.592
  150   2HD1  LEU  19          HD13      LEU  19  -0.885  -3.789  -1.846
  151   3HD1  LEU  19          HD12      LEU  19  -1.867  -5.000  -1.026
  152   1HD2  LEU  19          HD21      LEU  19  -2.763  -2.066  -1.855
  153   2HD2  LEU  19          HD23      LEU  19  -4.388  -2.606  -2.266
  154   3HD2  LEU  19          HD22      LEU  19  -3.586  -3.241  -0.833
  155    H    LEU  20           HN       LEU  20  -4.108  -3.544  -6.886
  156    HA   LEU  20           HA       LEU  20  -6.689  -4.333  -5.747
  157   1HB   LEU  20           HB2      LEU  20  -5.913  -2.913  -8.303
  158   2HB   LEU  20           HB1      LEU  20  -7.582  -3.238  -7.847
  159    HG   LEU  20           HG       LEU  20  -5.840  -1.955  -5.789
  160   1HD1  LEU  20          HD13      LEU  20  -6.847  -0.595  -8.305
  161   2HD1  LEU  20          HD12      LEU  20  -6.455   0.296  -6.838
  162   3HD1  LEU  20          HD11      LEU  20  -5.201  -0.611  -7.679
  163   1HD2  LEU  20          HD22      LEU  20  -8.223  -2.546  -5.380
  164   2HD2  LEU  20          HD21      LEU  20  -7.961  -0.807  -5.281
  165   3HD2  LEU  20          HD23      LEU  20  -8.697  -1.506  -6.720
  166    H    ALA  21           HN       ALA  21  -4.620  -5.326  -8.403
  167    HA   ALA  21           HA       ALA  21  -6.601  -7.199  -9.472
  168   1HB   ALA  21           HB2      ALA  21  -4.302  -5.980 -10.467
  169   2HB   ALA  21           HB1      ALA  21  -3.846  -7.672 -10.297
  170   3HB   ALA  21           HB3      ALA  21  -5.242  -7.231 -11.275
  171    H    GLU  22           HN       GLU  22  -4.327  -7.211  -6.960
  172    HA   GLU  22           HA       GLU  22  -3.744 -10.072  -7.028
  173   1HB   GLU  22           HB2      GLU  22  -2.163  -8.460  -6.025
  174   2HB   GLU  22           HB1      GLU  22  -3.362  -8.048  -4.805
  175   1HG   GLU  22           HG2      GLU  22  -2.844  -9.879  -3.576
  176   2HG   GLU  22           HG1      GLU  22  -2.991 -10.934  -4.980
  177    H    HIS  23           HN       HIS  23  -5.830  -7.942  -5.110
  178    HA   HIS  23           HA       HIS  23  -7.097 -10.333  -3.871
  179   1HB   HIS  23           HB2      HIS  23  -7.665  -7.428  -3.251
  180   2HB   HIS  23           HB1      HIS  23  -8.024  -8.834  -2.252
  181    HD1  HIS  23           HD1      HIS  23  -5.542 -10.202  -1.955
  182    HD2  HIS  23           HD2      HIS  23  -5.483  -6.155  -2.242
  183    HE1  HIS  23           HE1      HIS  23  -3.419  -9.539  -0.985
  184    H    ASN  24           HN       ASN  24  -7.530  -8.205  -6.440
  185    HA   ASN  24           HA       ASN  24  -9.306  -7.958  -7.960
  186   1HB   ASN  24           HB2      ASN  24 -10.915 -10.025  -6.515
  187   2HB   ASN  24           HB1      ASN  24 -10.717  -9.775  -8.248
  188   1HD2  ASN  24          HD22      ASN  24  -7.187 -11.148  -7.759
  189   2HD2  ASN  24          HD21      ASN  24  -7.741  -9.567  -8.029
  190    H    LEU  25           HN       LEU  25  -9.184  -6.334  -5.647
  191    HA   LEU  25           HA       LEU  25 -12.060  -5.999  -4.908
  192   1HB   LEU  25           HB2      LEU  25  -9.493  -5.084  -3.608
  193   2HB   LEU  25           HB1      LEU  25 -11.057  -4.446  -3.127
  194    HG   LEU  25           HG       LEU  25 -10.383  -7.413  -3.190
  195   1HD1  LEU  25          HD11      LEU  25  -9.021  -6.127  -1.521
  196   2HD1  LEU  25          HD13      LEU  25 -10.517  -5.543  -0.802
  197   3HD1  LEU  25          HD12      LEU  25 -10.135  -7.261  -0.764
  198   1HD2  LEU  25          HD22      LEU  25 -12.826  -5.848  -2.700
  199   2HD2  LEU  25          HD21      LEU  25 -12.646  -7.570  -3.014
  200   3HD2  LEU  25          HD23      LEU  25 -12.444  -6.947  -1.380
  201    H    ASP  26           HN       ASP  26 -13.013  -3.921  -5.037
  202    HA   ASP  26           HA       ASP  26 -11.835  -2.252  -7.183
  203   1HB   ASP  26           HB2      ASP  26 -14.566  -2.301  -5.882
  204   2HB   ASP  26           HB1      ASP  26 -14.092  -1.106  -7.086
  205    H    ALA  27           HN       ALA  27 -11.401  -0.057  -6.937
  206    HA   ALA  27           HA       ALA  27 -10.836   0.766  -4.156
  207   1HB   ALA  27           HB1      ALA  27  -9.910   1.560  -6.856
  208   2HB   ALA  27           HB3      ALA  27  -9.989   2.854  -5.664
  209   3HB   ALA  27           HB2      ALA  27  -9.005   1.428  -5.351
  210    H    SER  28           HN       SER  28 -12.963   1.560  -6.806
  211    HA   SER  28           HA       SER  28 -13.886   4.102  -6.009
  212   1HB   SER  28           HB2      SER  28 -16.006   3.487  -7.195
  213   2HB   SER  28           HB1      SER  28 -14.571   3.025  -8.132
  214    HG   SER  28           HG1      SER  28 -16.222   1.425  -6.489
  215    H    ALA  29           HN       ALA  29 -14.295   1.054  -4.499
  216    HA   ALA  29           HA       ALA  29 -16.611   1.969  -2.899
  217   1HB   ALA  29           HB2      ALA  29 -15.150  -0.637  -3.218
  218   2HB   ALA  29           HB1      ALA  29 -16.185  -0.377  -1.818
  219   3HB   ALA  29           HB3      ALA  29 -16.863  -0.294  -3.442
  220    H    ILE  30           HN       ILE  30 -13.187   1.749  -2.710
  221    HA   ILE  30           HA       ILE  30 -13.178   1.981   0.238
  222    HB   ILE  30           HB       ILE  30 -10.803   2.089  -1.631
  223   1HG1  ILE  30          HG12      ILE  30 -11.901   0.042  -2.192
  224   2HG1  ILE  30          HG11      ILE  30 -10.625  -0.408  -1.073
  225   1HG2  ILE  30          HG23      ILE  30 -11.109   2.322   1.199
  226   2HG2  ILE  30          HG22      ILE  30 -10.332   0.776   0.888
  227   3HG2  ILE  30          HG21      ILE  30  -9.615   2.259   0.276
  228   1HD1  ILE  30           HD1      ILE  30 -12.436  -0.170   0.775
  229   2HD1  ILE  30           HD3      ILE  30 -13.596  -0.185  -0.547
  230   3HD1  ILE  30           HD2      ILE  30 -12.543  -1.569  -0.284
  231    H    LYS  31           HN       LYS  31 -13.181   3.892   1.233
  232    HA   LYS  31           HA       LYS  31 -13.072   6.365  -0.295
  233   1HB   LYS  31           HB2      LYS  31 -13.282   5.732   2.648
  234   2HB   LYS  31           HB1      LYS  31 -13.152   7.387   2.062
  235   1HG   LYS  31           HG2      LYS  31 -15.157   7.092   0.682
  236   2HG   LYS  31           HG1      LYS  31 -15.262   5.400   1.157
  237   1HD   LYS  31           HD2      LYS  31 -16.318   5.939   3.083
  238   2HD   LYS  31           HD1      LYS  31 -15.071   7.111   3.497
  239   1HE   LYS  31           HE2      LYS  31 -17.425   7.585   1.638
  240   2HE   LYS  31           HE1      LYS  31 -17.235   8.248   3.256
  241   1HZ   LYS  31           HZ2      LYS  31 -15.011   8.767   1.504
  242   2HZ   LYS  31           HZ1      LYS  31 -16.469   9.469   0.990
  243   3HZ   LYS  31           HZ3      LYS  31 -15.855   9.820   2.534
  244    H    GLY  32           HN       GLY  32 -10.811   5.608  -1.082
  245   1HA   GLY  32           HA2      GLY  32  -8.528   5.731   0.587
  246   2HA   GLY  32           HA1      GLY  32  -8.516   6.105  -1.134
  247    H    THR  33           HN       THR  33  -8.593   7.395   2.070
  248    HA   THR  33           HA       THR  33  -9.103  10.149   1.268
  249    HB   THR  33           HB       THR  33  -8.308  10.620   3.673
  250    HG1  THR  33           HG1      THR  33  -7.987   7.824   3.330
  251   1HG2  THR  33          HG22      THR  33 -10.739   9.863   2.973
  252   2HG2  THR  33          HG21      THR  33 -10.257   8.312   3.652
  253   3HG2  THR  33          HG23      THR  33 -10.279   9.749   4.668
  254    H    GLY  34           HN       GLY  34  -6.216   8.598   2.670
  255   1HA   GLY  34           HA2      GLY  34  -3.955   9.254   2.515
  256   2HA   GLY  34           HA1      GLY  34  -4.313   9.326   0.792
  257    H    VAL  35           HN       VAL  35  -2.713  11.079   0.799
  258    HA   VAL  35           HA       VAL  35  -3.518  13.597   2.104
  259    HB   VAL  35           HB       VAL  35  -1.229  13.106   0.184
  260   1HG1  VAL  35          HG13      VAL  35  -2.298  15.454   1.339
  261   2HG1  VAL  35          HG12      VAL  35  -0.845  15.088   2.264
  262   3HG1  VAL  35          HG11      VAL  35  -0.748  15.292   0.519
  263   1HG2  VAL  35          HG23      VAL  35  -1.317  12.958   3.218
  264   2HG2  VAL  35          HG22      VAL  35  -1.089  11.591   2.132
  265   3HG2  VAL  35          HG21      VAL  35   0.142  12.846   2.237
  266    H    GLY  36           HN       GLY  36  -5.497  13.995   1.003
  267   1HA   GLY  36           HA2      GLY  36  -6.468  15.509  -0.609
  268   2HA   GLY  36           HA1      GLY  36  -5.080  15.235  -1.659
  269    H    GLY  37           HN       GLY  37  -5.013  12.473  -1.733
  270   1HA   GLY  37           HA2      GLY  37  -7.425  11.099  -2.145
  271   2HA   GLY  37           HA1      GLY  37  -7.076  11.915  -3.666
  272    NH1  ARG  38           NH1      ARG  38   2.573   8.605  -0.668
  273    NH2  ARG  38           NH2      ARG  38   2.826   7.087  -2.356
  274    H    ARG  38           HN       ARG  38  -4.960  10.358  -1.273
  275    HA   ARG  38           HA       ARG  38  -3.811   8.713  -3.494
  276   1HB   ARG  38           HB2      ARG  38  -2.255  10.266  -2.314
  277   2HB   ARG  38           HB1      ARG  38  -2.585   9.406  -0.815
  278   1HG   ARG  38           HG2      ARG  38  -1.700   7.336  -1.746
  279   2HG   ARG  38           HG1      ARG  38  -1.508   8.086  -3.326
  280   1HD   ARG  38           HD2      ARG  38   0.327   9.353  -2.653
  281   2HD   ARG  38           HD1      ARG  38  -0.177   9.374  -0.965
  282    HE   ARG  38           HE       ARG  38   0.393   6.710  -1.427
  283   1HH1  ARG  38          HH11      ARG  38   1.965   9.108  -0.053
  284   2HH1  ARG  38          HH12      ARG  38   3.561   8.747  -0.621
  285   1HH2  ARG  38          HH21      ARG  38   2.409   6.451  -3.006
  286   2HH2  ARG  38          HH22      ARG  38   3.819   7.203  -2.339
  287    H    LEU  39           HN       LEU  39  -5.117   6.906  -3.441
  288    HA   LEU  39           HA       LEU  39  -6.215   5.619  -1.213
  289   1HB   LEU  39           HB2      LEU  39  -6.824   4.882  -3.419
  290   2HB   LEU  39           HB1      LEU  39  -5.159   4.471  -3.807
  291    HG   LEU  39           HG       LEU  39  -5.169   2.616  -2.254
  292   1HD1  LEU  39          HD13      LEU  39  -7.766   3.863  -1.334
  293   2HD1  LEU  39          HD12      LEU  39  -7.405   2.171  -1.009
  294   3HD1  LEU  39          HD11      LEU  39  -6.360   3.433  -0.367
  295   1HD2  LEU  39          HD21      LEU  39  -6.696   2.683  -4.507
  296   2HD2  LEU  39          HD23      LEU  39  -6.486   1.238  -3.523
  297   3HD2  LEU  39          HD22      LEU  39  -7.915   2.245  -3.314
  298    H    THR  40           HN       THR  40  -5.119   5.164   0.604
  299    HA   THR  40           HA       THR  40  -2.300   4.414   0.564
  300    HB   THR  40           HB       THR  40  -2.678   4.136   3.074
  301    HG1  THR  40           HG1      THR  40  -5.246   4.488   1.992
  302   1HG2  THR  40          HG21      THR  40  -2.240   6.434   1.966
  303   2HG2  THR  40          HG23      THR  40  -3.985   6.667   2.024
  304   3HG2  THR  40          HG22      THR  40  -3.073   6.474   3.518
  305    NH1  ARG  41           NH2      ARG  41   2.407  -3.667   0.743
  306    NH2  ARG  41           NH1      ARG  41   1.143  -5.566   0.631
  307    H    ARG  41           HN       ARG  41  -1.773   2.435   2.108
  308    HA   ARG  41           HA       ARG  41  -3.087   0.100   0.826
  309   1HB   ARG  41           HB2      ARG  41  -0.525   0.471   0.955
  310   2HB   ARG  41           HB1      ARG  41  -0.684  -0.015   2.639
  311   1HG   ARG  41           HG2      ARG  41  -1.752  -2.129   1.936
  312   2HG   ARG  41           HG1      ARG  41  -1.619  -1.643   0.250
  313   1HD   ARG  41           HD2      ARG  41   0.753  -1.782   0.280
  314   2HD   ARG  41           HD1      ARG  41   0.816  -1.769   2.040
  315    HE   ARG  41           HE       ARG  41  -0.618  -4.065   1.458
  316   1HH1  ARG  41          HH21      ARG  41   2.462  -2.684   0.921
  317   2HH1  ARG  41          HH22      ARG  41   3.228  -4.174   0.482
  318   1HH2  ARG  41          HH11      ARG  41   0.251  -6.009   0.725
  319   2HH2  ARG  41          HH12      ARG  41   1.943  -6.106   0.368
  320    H    GLU  42           HN       GLU  42  -3.223   1.855   3.682
  321    HA   GLU  42           HA       GLU  42  -3.986  -0.476   5.348
  322   1HB   GLU  42           HB2      GLU  42  -2.964   2.185   5.848
  323   2HB   GLU  42           HB1      GLU  42  -4.423   1.898   6.790
  324   1HG   GLU  42           HG2      GLU  42  -2.095  -0.048   6.668
  325   2HG   GLU  42           HG1      GLU  42  -2.295   1.154   7.939
  326    H    ASP  43           HN       ASP  43  -5.413   1.837   3.334
  327    HA   ASP  43           HA       ASP  43  -7.974   1.991   4.735
  328   1HB   ASP  43           HB2      ASP  43  -6.862   3.004   2.156
  329   2HB   ASP  43           HB1      ASP  43  -8.613   2.879   2.303
  330    H    VAL  44           HN       VAL  44  -6.466  -0.162   2.537
  331    HA   VAL  44           HA       VAL  44  -9.051  -1.343   1.688
  332    HB   VAL  44           HB       VAL  44  -6.208  -2.085   0.943
  333   1HG1  VAL  44          HG13      VAL  44  -8.930  -3.001  -0.026
  334   2HG1  VAL  44          HG12      VAL  44  -7.461  -3.236  -0.970
  335   3HG1  VAL  44          HG11      VAL  44  -7.625  -3.997   0.610
  336   1HG2  VAL  44          HG21      VAL  44  -7.682   0.170   0.223
  337   2HG2  VAL  44          HG23      VAL  44  -6.317  -0.493  -0.671
  338   3HG2  VAL  44          HG22      VAL  44  -7.961  -0.947  -1.108
  339    H    GLU  45           HN       GLU  45  -6.681  -1.719   4.083
  340    HA   GLU  45           HA       GLU  45  -6.671  -4.533   4.492
  341   1HB   GLU  45           HB2      GLU  45  -5.133  -2.989   5.649
  342   2HB   GLU  45           HB1      GLU  45  -6.486  -2.326   6.561
  343   1HG   GLU  45           HG2      GLU  45  -6.413  -5.243   6.714
  344   2HG   GLU  45           HG1      GLU  45  -4.919  -4.521   7.307
  345    H    LYS  46           HN       LYS  46  -8.514  -2.160   6.408
  346    HA   LYS  46           HA       LYS  46 -10.207  -3.952   7.728
  347   1HB   LYS  46           HB2      LYS  46 -10.013  -1.341   7.868
  348   2HB   LYS  46           HB1      LYS  46 -11.315  -1.364   6.684
  349   1HG   LYS  46           HG2      LYS  46 -12.398  -3.104   8.357
  350   2HG   LYS  46           HG1      LYS  46 -11.321  -2.348   9.524
  351   1HD   LYS  46           HD2      LYS  46 -12.244  -0.103   8.761
  352   2HD   LYS  46           HD1      LYS  46 -13.455  -0.995   7.849
  353   1HE   LYS  46           HE2      LYS  46 -12.991  -1.234  10.840
  354   2HE   LYS  46           HE1      LYS  46 -14.305  -0.340  10.087
  355   1HZ   LYS  46           HZ1      LYS  46 -14.169  -2.990   9.083
  356   2HZ   LYS  46           HZ3      LYS  46 -14.297  -2.995  10.777
  357   3HZ   LYS  46           HZ2      LYS  46 -15.462  -2.189   9.840
  358    H    HIS  47           HN       HIS  47 -10.054  -3.340   4.407
  359    HA   HIS  47           HA       HIS  47 -12.849  -4.205   3.919
  360   1HB   HIS  47           HB2      HIS  47 -11.447  -2.348   2.630
  361   2HB   HIS  47           HB1      HIS  47 -10.904  -3.741   1.699
  362    HD1  HIS  47           HD1      HIS  47 -14.031  -1.999   2.574
  363    HD2  HIS  47           HD2      HIS  47 -12.767  -4.820  -0.053
  364    HE1  HIS  47           HE1      HIS  47 -15.902  -2.326   1.063
  365    H    LEU  48           HN       LEU  48  -9.527  -5.255   3.351
  366    HA   LEU  48           HA       LEU  48  -9.946  -7.529   1.782
  367   1HB   LEU  48           HB2      LEU  48  -7.958  -6.793   3.879
  368   2HB   LEU  48           HB1      LEU  48  -8.002  -8.471   3.351
  369    HG   LEU  48           HG       LEU  48  -8.018  -6.283   1.289
  370   1HD1  LEU  48          HD12      LEU  48  -5.706  -7.191   2.993
  371   2HD1  LEU  48          HD11      LEU  48  -5.427  -6.718   1.320
  372   3HD1  LEU  48          HD13      LEU  48  -6.111  -5.563   2.458
  373   1HD2  LEU  48          HD21      LEU  48  -8.229  -8.955   1.064
  374   2HD2  LEU  48          HD23      LEU  48  -7.391  -7.986  -0.144
  375   3HD2  LEU  48          HD22      LEU  48  -6.473  -8.832   1.097
  376    H    ALA  49           HN       ALA  49 -10.868  -6.983   5.060
  377    HA   ALA  49           HA       ALA  49 -12.553  -9.284   5.165
  378   1HB   ALA  49           HB1      ALA  49  -9.759  -9.712   5.898
  379   2HB   ALA  49           HB3      ALA  49 -10.863 -10.135   7.202
  380   3HB   ALA  49           HB2      ALA  49 -11.035 -10.894   5.623
  381    H    LYS  50           HN       LYS  50 -14.111  -8.290   6.299
  382    HA   LYS  50           HA       LYS  50 -13.509  -6.367   8.403
  383   1HB   LYS  50           HB2      LYS  50 -16.004  -6.392   8.731
  384   2HB   LYS  50           HB1      LYS  50 -15.502  -6.024   7.085
  385   1HG   LYS  50           HG2      LYS  50 -15.916  -8.327   6.394
  386   2HG   LYS  50           HG1      LYS  50 -16.271  -8.798   8.052
  387   1HD   LYS  50           HD2      LYS  50 -18.325  -7.694   8.069
  388   2HD   LYS  50           HD1      LYS  50 -17.834  -6.547   6.827
  389   1HE   LYS  50           HE2      LYS  50 -19.461  -8.207   5.948
  390   2HE   LYS  50           HE1      LYS  50 -17.909  -8.323   5.127
  391   1HZ   LYS  50           HZ1      LYS  50 -18.705 -10.031   7.415
  392   2HZ   LYS  50           HZ3      LYS  50 -18.867 -10.484   5.786
  393   3HZ   LYS  50           HZ2      LYS  50 -17.324 -10.200   6.440
  394    H    ALA  51           HN       ALA  51 -14.338  -6.594  10.616
  395    HA   ALA  51           HA       ALA  51 -13.437  -9.042  11.826
  396   1HB   ALA  51           HB2      ALA  51 -13.934  -6.489  12.722
  397   2HB   ALA  51           HB1      ALA  51 -15.256  -7.398  13.446
  398   3HB   ALA  51           HB3      ALA  51 -13.589  -7.869  13.761
   
 Raw file had 398 H/Q atoms
  Start of MODEL   29
    1    OH   TYR   1           OH       TYR   1  21.947   8.823 -10.687
    2   1H    TYR   1           HT3      TYR   1  24.198   0.997 -10.477
    3   2H    TYR   1           HT2      TYR   1  22.619   1.060 -11.097
    4   3H    TYR   1           HT1      TYR   1  23.806   2.118 -11.691
    5    HA   TYR   1           HA       TYR   1  23.794   3.437  -9.827
    6   1HB   TYR   1           HB2      TYR   1  21.273   2.733 -10.955
    7   2HB   TYR   1           HB1      TYR   1  21.040   2.936  -9.220
    8    HD1  TYR   1           HD1      TYR   1  22.016   5.077  -8.145
    9    HD2  TYR   1           HD2      TYR   1  21.505   4.633 -12.344
   10    HE1  TYR   1           HE1      TYR   1  22.128   7.511  -8.416
   11    HE2  TYR   1           HE2      TYR   1  21.618   7.067 -12.615
   12    HH   TYR   1           HH       TYR   1  21.681   9.033 -11.585
   13    H    ALA   2           HN       ALA   2  23.769   3.653  -7.597
   14    HA   ALA   2           HA       ALA   2  24.376   1.423  -6.009
   15   1HB   ALA   2           HB2      ALA   2  23.309   4.152  -5.334
   16   2HB   ALA   2           HB1      ALA   2  23.607   2.963  -4.070
   17   3HB   ALA   2           HB3      ALA   2  24.933   3.516  -5.088
   18    H    SER   3           HN       SER   3  21.745   3.063  -4.617
   19    HA   SER   3           HA       SER   3  19.922   0.746  -5.108
   20   1HB   SER   3           HB2      SER   3  21.235   1.120  -2.713
   21   2HB   SER   3           HB1      SER   3  19.682   1.930  -2.427
   22    HG   SER   3           HG1      SER   3  20.146  -0.666  -2.553
   23    H    LEU   4           HN       LEU   4  17.735   1.237  -5.173
   24    HA   LEU   4           HA       LEU   4  16.932   3.735  -6.159
   25   1HB   LEU   4           HB2      LEU   4  14.610   3.041  -5.489
   26   2HB   LEU   4           HB1      LEU   4  15.491   1.807  -6.383
   27    HG   LEU   4           HG       LEU   4  16.065   1.559  -3.560
   28   1HD1  LEU   4          HD11      LEU   4  13.136   1.496  -4.367
   29   2HD1  LEU   4          HD13      LEU   4  13.771   0.912  -2.832
   30   3HD1  LEU   4          HD12      LEU   4  13.869   2.624  -3.231
   31   1HD2  LEU   4          HD22      LEU   4  14.581  -0.205  -5.542
   32   2HD2  LEU   4          HD21      LEU   4  16.319  -0.219  -5.258
   33   3HD2  LEU   4          HD23      LEU   4  15.216  -0.735  -3.987
   34    H    GLU   5           HN       GLU   5  17.882   2.990  -3.021
   35    HA   GLU   5           HA       GLU   5  16.200   4.920  -1.625
   36   1HB   GLU   5           HB2      GLU   5  17.412   2.846  -0.648
   37   2HB   GLU   5           HB1      GLU   5  18.836   3.879  -0.607
   38   1HG   GLU   5           HG2      GLU   5  17.550   5.557   0.717
   39   2HG   GLU   5           HG1      GLU   5  16.167   4.466   0.722
   40    H    GLU   6           HN       GLU   6  17.056   6.363  -3.655
   41    HA   GLU   6           HA       GLU   6  18.577   8.484  -2.413
   42   1HB   GLU   6           HB2      GLU   6  20.296   6.659  -3.170
   43   2HB   GLU   6           HB1      GLU   6  19.987   7.291  -4.782
   44   1HG   GLU   6           HG2      GLU   6  20.343   9.629  -3.508
   45   2HG   GLU   6           HG1      GLU   6  21.315   8.609  -2.451
   46    H    GLN   7           HN       GLN   7  16.339   7.434  -4.467
   47    HA   GLN   7           HA       GLN   7  16.413   9.957  -6.056
   48   1HB   GLN   7           HB2      GLN   7  16.652   7.263  -7.062
   49   2HB   GLN   7           HB1      GLN   7  15.202   8.026  -7.700
   50   1HG   GLN   7           HG2      GLN   7  17.136   8.511  -9.154
   51   2HG   GLN   7           HG1      GLN   7  16.557   9.992  -8.397
   52   1HE2  GLN   7          HE22      GLN   7  19.894  10.559  -7.395
   53   2HE2  GLN   7          HE21      GLN   7  18.576  11.102  -8.316
   54    H    ASN   8           HN       ASN   8  14.632   7.615  -4.316
   55    HA   ASN   8           HA       ASN   8  12.012   8.556  -5.240
   56   1HB   ASN   8           HB2      ASN   8  11.121   6.792  -4.042
   57   2HB   ASN   8           HB1      ASN   8  12.756   6.182  -4.275
   58   1HD2  ASN   8          HD22      ASN   8  11.456   6.703  -0.557
   59   2HD2  ASN   8          HD21      ASN   8  10.454   6.584  -1.921
   60    H    ASN   9           HN       ASN   9  10.807  10.110  -4.314
   61    HA   ASN   9           HA       ASN   9  11.974  11.552  -2.005
   62   1HB   ASN   9           HB2      ASN   9  10.936  12.541  -4.262
   63   2HB   ASN   9           HB1      ASN   9   9.453  12.465  -3.312
   64   1HD2  ASN   9          HD22      ASN   9  10.325  15.191  -1.260
   65   2HD2  ASN   9          HD21      ASN   9   9.167  14.016  -1.662
   66    H    ASP  10           HN       ASP  10   8.655  10.650  -2.938
   67    HA   ASP  10           HA       ASP  10   8.200   9.410  -0.319
   68   1HB   ASP  10           HB2      ASP  10   6.858  12.011  -1.091
   69   2HB   ASP  10           HB1      ASP  10   6.270  10.960   0.195
   70    H    ALA  11           HN       ALA  11   7.991   8.871  -3.276
   71    HA   ALA  11           HA       ALA  11   5.219   8.652  -3.985
   72   1HB   ALA  11           HB2      ALA  11   7.782   7.493  -4.977
   73   2HB   ALA  11           HB1      ALA  11   6.288   6.701  -5.469
   74   3HB   ALA  11           HB3      ALA  11   6.551   8.400  -5.850
   75    H    LEU  12           HN       LEU  12   3.833   6.854  -3.922
   76    HA   LEU  12           HA       LEU  12   4.070   5.211  -1.553
   77   1HB   LEU  12           HB2      LEU  12   2.176   5.001  -3.909
   78   2HB   LEU  12           HB1      LEU  12   1.996   4.133  -2.389
   79    HG   LEU  12           HG       LEU  12   2.377   7.082  -2.192
   80   1HD1  LEU  12          HD13      LEU  12  -0.205   5.798  -3.151
   81   2HD1  LEU  12          HD12      LEU  12  -0.036   7.476  -2.646
   82   3HD1  LEU  12          HD11      LEU  12   0.802   6.901  -4.083
   83   1HD2  LEU  12          HD23      LEU  12   2.033   5.493  -0.252
   84   2HD2  LEU  12          HD22      LEU  12   0.854   6.797  -0.326
   85   3HD2  LEU  12          HD21      LEU  12   0.414   5.182  -0.870
   86    H    SER  13           HN       SER  13   3.150   2.719  -2.418
   87    HA   SER  13           HA       SER  13   5.653   1.534  -3.270
   88   1HB   SER  13           HB2      SER  13   3.209   0.634  -2.022
   89   2HB   SER  13           HB1      SER  13   3.689  -0.466  -3.329
   90    HG   SER  13           HG1      SER  13   4.897  -1.042  -1.570
   91    HA   PRO  14           HA       PRO  14   4.572   1.807  -7.653
   92   1HB   PRO  14           HB2      PRO  14   6.398  -0.268  -8.397
   93   2HB   PRO  14           HB1      PRO  14   6.600   1.473  -8.595
   94   1HG   PRO  14           HG2      PRO  14   7.924  -0.273  -6.684
   95   2HG   PRO  14           HG1      PRO  14   8.186   1.454  -6.937
   96   1HD   PRO  14           HD1      PRO  14   6.853   0.196  -4.723
   97   2HD   PRO  14           HD2      PRO  14   7.048   1.935  -5.023
   98    H    ALA  15           HN       ALA  15   4.523  -1.019  -5.690
   99    HA   ALA  15           HA       ALA  15   3.033  -2.576  -7.732
  100   1HB   ALA  15           HB2      ALA  15   4.887  -3.576  -6.273
  101   2HB   ALA  15           HB1      ALA  15   3.740  -3.479  -4.940
  102   3HB   ALA  15           HB3      ALA  15   3.375  -4.476  -6.344
  103    H    ILE  16           HN       ILE  16   1.946  -0.173  -6.319
  104    HA   ILE  16           HA       ILE  16  -0.089  -1.212  -4.495
  105    HB   ILE  16           HB       ILE  16   0.794   1.070  -4.226
  106   1HG1  ILE  16          HG12      ILE  16  -2.051   1.462  -5.109
  107   2HG1  ILE  16          HG11      ILE  16  -1.721   0.327  -3.806
  108   1HG2  ILE  16          HG21      ILE  16   1.176   1.498  -6.655
  109   2HG2  ILE  16          HG23      ILE  16  -0.562   1.626  -6.888
  110   3HG2  ILE  16          HG22      ILE  16   0.280   2.802  -5.885
  111   1HD1  ILE  16           HD2      ILE  16  -0.836   3.232  -3.871
  112   2HD1  ILE  16           HD1      ILE  16  -2.164   2.590  -2.910
  113   3HD1  ILE  16           HD3      ILE  16  -0.511   2.094  -2.567
  114    NH1  ARG  17           NH2      ARG  17   0.398  -0.695 -12.974
  115    NH2  ARG  17           NH1      ARG  17   1.228   1.269 -13.793
  116    H    ARG  17           HN       ARG  17   0.160  -0.473  -7.888
  117    HA   ARG  17           HA       ARG  17  -2.693  -0.493  -8.414
  118   1HB   ARG  17           HB2      ARG  17  -0.275  -0.808 -10.202
  119   2HB   ARG  17           HB1      ARG  17  -1.925  -0.791 -10.814
  120   1HG   ARG  17           HG2      ARG  17  -2.267   1.432  -9.716
  121   2HG   ARG  17           HG1      ARG  17  -0.577   1.418  -9.225
  122   1HD   ARG  17           HD2      ARG  17  -1.570   1.276 -12.094
  123   2HD   ARG  17           HD1      ARG  17  -0.877   2.702 -11.324
  124    HE   ARG  17           HE       ARG  17   1.225   1.244 -11.030
  125   1HH1  ARG  17          HH21      ARG  17   0.002  -1.206 -12.210
  126   2HH1  ARG  17          HH22      ARG  17   0.556  -1.150 -13.850
  127   1HH2  ARG  17          HH11      ARG  17   1.454   2.232 -13.644
  128   2HH2  ARG  17          HH12      ARG  17   1.400   0.848 -14.683
  129    NH1  ARG  18           NH1      ARG  18   2.638  -4.905 -13.796
  130    NH2  ARG  18           NH2      ARG  18   0.469  -5.491 -14.209
  131    H    ARG  18           HN       ARG  18  -0.115  -2.837  -9.168
  132    HA   ARG  18           HA       ARG  18  -1.798  -4.930 -10.051
  133   1HB   ARG  18           HB2      ARG  18   0.752  -5.346  -8.484
  134   2HB   ARG  18           HB1      ARG  18   0.071  -6.388  -9.728
  135   1HG   ARG  18           HG2      ARG  18   0.278  -4.264 -11.254
  136   2HG   ARG  18           HG1      ARG  18   1.426  -3.716 -10.038
  137   1HD   ARG  18           HD2      ARG  18   2.902  -4.900 -11.356
  138   2HD   ARG  18           HD1      ARG  18   2.323  -6.247 -10.378
  139    HE   ARG  18           HE       ARG  18   1.094  -7.035 -12.261
  140   1HH1  ARG  18          HH11      ARG  18   3.433  -4.936 -13.190
  141   2HH1  ARG  18          HH12      ARG  18   2.692  -4.414 -14.665
  142   1HH2  ARG  18          HH21      ARG  18  -0.362  -5.962 -13.913
  143   2HH2  ARG  18          HH22      ARG  18   0.486  -5.010 -15.086
  144    H    LEU  19           HN       LEU  19  -1.171  -3.748  -6.867
  145    HA   LEU  19           HA       LEU  19  -1.774  -5.982  -5.264
  146   1HB   LEU  19           HB2      LEU  19  -1.075  -3.661  -4.494
  147   2HB   LEU  19           HB1      LEU  19  -2.753  -3.176  -4.699
  148    HG   LEU  19           HG       LEU  19  -3.117  -5.438  -3.249
  149   1HD1  LEU  19          HD13      LEU  19  -0.657  -5.815  -3.091
  150   2HD1  LEU  19          HD12      LEU  19  -0.487  -4.256  -2.290
  151   3HD1  LEU  19          HD11      LEU  19  -1.383  -5.555  -1.508
  152   1HD2  LEU  19          HD22      LEU  19  -2.415  -2.692  -2.154
  153   2HD2  LEU  19          HD21      LEU  19  -4.007  -3.203  -2.706
  154   3HD2  LEU  19          HD23      LEU  19  -3.295  -3.938  -1.273
  155    H    LEU  20           HN       LEU  20  -3.958  -3.752  -6.915
  156    HA   LEU  20           HA       LEU  20  -6.365  -4.956  -5.830
  157   1HB   LEU  20           HB2      LEU  20  -5.804  -3.049  -8.092
  158   2HB   LEU  20           HB1      LEU  20  -7.423  -3.682  -7.816
  159    HG   LEU  20           HG       LEU  20  -5.965  -2.608  -5.442
  160   1HD1  LEU  20          HD11      LEU  20  -6.905  -0.978  -7.796
  161   2HD1  LEU  20          HD13      LEU  20  -7.019  -0.313  -6.169
  162   3HD1  LEU  20          HD12      LEU  20  -5.451  -0.776  -6.824
  163   1HD2  LEU  20          HD21      LEU  20  -8.384  -3.621  -5.659
  164   2HD2  LEU  20          HD23      LEU  20  -8.143  -2.183  -4.672
  165   3HD2  LEU  20          HD22      LEU  20  -8.793  -2.033  -6.301
  166    H    ALA  21           HN       ALA  21  -4.162  -5.867  -8.236
  167    HA   ALA  21           HA       ALA  21  -6.121  -7.395  -9.820
  168   1HB   ALA  21           HB2      ALA  21  -3.688  -6.276 -10.427
  169   2HB   ALA  21           HB1      ALA  21  -3.265  -7.973 -10.227
  170   3HB   ALA  21           HB3      ALA  21  -4.493  -7.504 -11.398
  171    H    GLU  22           HN       GLU  22  -3.870  -7.898  -7.227
  172    HA   GLU  22           HA       GLU  22  -3.894 -10.817  -7.467
  173   1HB   GLU  22           HB2      GLU  22  -1.945  -9.596  -6.537
  174   2HB   GLU  22           HB1      GLU  22  -2.943  -9.060  -5.190
  175   1HG   GLU  22           HG2      GLU  22  -3.170 -11.257  -4.331
  176   2HG   GLU  22           HG1      GLU  22  -2.676 -11.997  -5.852
  177    H    HIS  23           HN       HIS  23  -6.048  -8.537  -6.329
  178    HA   HIS  23           HA       HIS  23  -7.458 -10.609  -4.706
  179   1HB   HIS  23           HB2      HIS  23  -7.462  -7.695  -3.932
  180   2HB   HIS  23           HB1      HIS  23  -7.940  -9.084  -2.961
  181    HD1  HIS  23           HD1      HIS  23  -5.665 -10.800  -2.930
  182    HD2  HIS  23           HD2      HIS  23  -5.046  -6.792  -3.066
  183    HE1  HIS  23           HE1      HIS  23  -3.403 -10.491  -2.107
  184    H    ASN  24           HN       ASN  24  -7.545  -8.186  -7.099
  185    HA   ASN  24           HA       ASN  24  -9.313  -7.270  -8.352
  186   1HB   ASN  24           HB2      ASN  24  -9.733  -9.377  -9.246
  187   2HB   ASN  24           HB1      ASN  24 -10.147 -10.070  -7.680
  188   1HD2  ASN  24          HD22      ASN  24 -13.563  -9.265  -7.928
  189   2HD2  ASN  24          HD21      ASN  24 -12.324  -9.952  -6.994
  190    H    LEU  25           HN       LEU  25  -9.844  -5.547  -6.977
  191    HA   LEU  25           HA       LEU  25 -12.419  -5.915  -5.535
  192   1HB   LEU  25           HB2      LEU  25  -9.817  -5.034  -4.367
  193   2HB   LEU  25           HB1      LEU  25 -11.275  -4.218  -3.816
  194    HG   LEU  25           HG       LEU  25 -11.227  -7.223  -3.955
  195   1HD1  LEU  25          HD13      LEU  25 -10.126  -5.506  -1.705
  196   2HD1  LEU  25          HD12      LEU  25 -10.418  -7.239  -1.598
  197   3HD1  LEU  25          HD11      LEU  25  -9.198  -6.620  -2.705
  198   1HD2  LEU  25          HD22      LEU  25 -13.203  -5.483  -3.368
  199   2HD2  LEU  25          HD21      LEU  25 -13.084  -7.060  -2.591
  200   3HD2  LEU  25          HD23      LEU  25 -12.480  -5.625  -1.768
  201    H    ASP  26           HN       ASP  26 -13.384  -3.758  -4.955
  202    HA   ASP  26           HA       ASP  26 -12.889  -1.849  -7.195
  203   1HB   ASP  26           HB2      ASP  26 -15.258  -2.880  -5.926
  204   2HB   ASP  26           HB1      ASP  26 -15.222  -1.126  -5.760
  205    H    ALA  27           HN       ALA  27 -11.268  -0.534  -6.433
  206    HA   ALA  27           HA       ALA  27 -11.017   0.413  -3.755
  207   1HB   ALA  27           HB2      ALA  27  -9.874   1.113  -6.393
  208   2HB   ALA  27           HB1      ALA  27  -9.848   2.403  -5.196
  209   3HB   ALA  27           HB3      ALA  27  -9.066   0.865  -4.849
  210    H    SER  28           HN       SER  28 -13.122   1.335  -6.310
  211    HA   SER  28           HA       SER  28 -13.670   4.035  -5.680
  212   1HB   SER  28           HB2      SER  28 -16.054   3.398  -6.544
  213   2HB   SER  28           HB1      SER  28 -14.690   3.174  -7.656
  214    HG   SER  28           HG1      SER  28 -15.882   1.250  -5.945
  215    H    ALA  29           HN       ALA  29 -15.106   1.076  -4.353
  216    HA   ALA  29           HA       ALA  29 -16.929   2.389  -2.578
  217   1HB   ALA  29           HB1      ALA  29 -15.812  -0.345  -2.875
  218   2HB   ALA  29           HB3      ALA  29 -16.450   0.063  -1.286
  219   3HB   ALA  29           HB2      ALA  29 -17.486   0.170  -2.705
  220    H    ILE  30           HN       ILE  30 -13.547   1.530  -2.308
  221    HA   ILE  30           HA       ILE  30 -13.421   2.172   0.546
  222    HB   ILE  30           HB       ILE  30 -11.139   1.833  -1.421
  223   1HG1  ILE  30          HG12      ILE  30 -12.533  -0.152  -1.543
  224   2HG1  ILE  30          HG11      ILE  30 -11.113  -0.550  -0.590
  225   1HG2  ILE  30          HG21      ILE  30 -11.304   2.353   1.446
  226   2HG2  ILE  30          HG23      ILE  30 -10.429   0.864   1.116
  227   3HG2  ILE  30          HG22      ILE  30  -9.899   2.374   0.390
  228   1HD1  ILE  30           HD3      ILE  30 -12.626   0.164   1.455
  229   2HD1  ILE  30           HD2      ILE  30 -13.949  -0.115   0.329
  230   3HD1  ILE  30           HD1      ILE  30 -12.846  -1.425   0.733
  231    H    LYS  31           HN       LYS  31 -13.197   4.155   1.365
  232    HA   LYS  31           HA       LYS  31 -12.700   6.413  -0.472
  233   1HB   LYS  31           HB2      LYS  31 -13.356   6.375   2.485
  234   2HB   LYS  31           HB1      LYS  31 -13.289   7.814   1.474
  235   1HG   LYS  31           HG2      LYS  31 -15.327   7.397   0.558
  236   2HG   LYS  31           HG1      LYS  31 -14.972   5.686   0.342
  237   1HD   LYS  31           HD2      LYS  31 -15.432   5.271   2.725
  238   2HD   LYS  31           HD1      LYS  31 -15.729   6.986   2.981
  239   1HE   LYS  31           HE2      LYS  31 -17.341   5.079   1.262
  240   2HE   LYS  31           HE1      LYS  31 -17.882   5.928   2.704
  241   1HZ   LYS  31           HZ3      LYS  31 -17.077   7.958   1.166
  242   2HZ   LYS  31           HZ2      LYS  31 -17.638   6.873  -0.014
  243   3HZ   LYS  31           HZ1      LYS  31 -18.674   7.385   1.230
  244    H    GLY  32           HN       GLY  32 -10.812   7.455  -0.640
  245   1HA   GLY  32           HA2      GLY  32  -8.605   6.641   1.186
  246   2HA   GLY  32           HA1      GLY  32  -8.393   7.380  -0.398
  247    H    THR  33           HN       THR  33  -9.171   7.969   2.959
  248    HA   THR  33           HA       THR  33  -9.601  10.810   2.704
  249    HB   THR  33           HB       THR  33  -9.345  10.826   5.186
  250    HG1  THR  33           HG1      THR  33  -8.371   8.230   4.544
  251   1HG2  THR  33          HG21      THR  33 -11.420   9.699   4.061
  252   2HG2  THR  33          HG23      THR  33 -10.625   8.179   4.458
  253   3HG2  THR  33          HG22      THR  33 -11.092   9.291   5.741
  254    H    GLY  34           HN       GLY  34  -6.969   9.227   1.843
  255   1HA   GLY  34           HA2      GLY  34  -4.729  10.207   3.154
  256   2HA   GLY  34           HA1      GLY  34  -4.787  10.010   1.404
  257    H    VAL  35           HN       VAL  35  -3.317  12.046   2.656
  258    HA   VAL  35           HA       VAL  35  -4.787  14.535   2.719
  259    HB   VAL  35           HB       VAL  35  -1.819  14.184   2.251
  260   1HG1  VAL  35          HG12      VAL  35  -2.877  16.470   1.982
  261   2HG1  VAL  35          HG11      VAL  35  -3.376  16.371   3.667
  262   3HG1  VAL  35          HG13      VAL  35  -1.664  16.384   3.256
  263   1HG2  VAL  35          HG22      VAL  35  -3.474  14.061   4.786
  264   2HG2  VAL  35          HG21      VAL  35  -2.318  12.871   4.195
  265   3HG2  VAL  35          HG23      VAL  35  -1.751  14.424   4.802
  266    H    GLY  36           HN       GLY  36  -5.911  14.016   0.608
  267   1HA   GLY  36           HA2      GLY  36  -5.754  15.639  -1.420
  268   2HA   GLY  36           HA1      GLY  36  -4.248  14.789  -1.751
  269    H    GLY  37           HN       GLY  37  -7.027  13.137  -0.447
  270   1HA   GLY  37           HA2      GLY  37  -8.426  11.500  -1.383
  271   2HA   GLY  37           HA1      GLY  37  -8.177  12.293  -2.935
  272    NH1  ARG  38           NH2      ARG  38  -0.841  10.039  -5.387
  273    NH2  ARG  38           NH1      ARG  38  -2.464  11.390  -6.258
  274    H    ARG  38           HN       ARG  38  -5.509  11.111  -1.023
  275    HA   ARG  38           HA       ARG  38  -4.762   9.305  -3.229
  276   1HB   ARG  38           HB2      ARG  38  -3.277   9.635  -0.625
  277   2HB   ARG  38           HB1      ARG  38  -2.634   9.158  -2.192
  278   1HG   ARG  38           HG2      ARG  38  -3.711  11.892  -1.430
  279   2HG   ARG  38           HG1      ARG  38  -2.037  11.485  -1.791
  280   1HD   ARG  38           HD2      ARG  38  -4.392  11.574  -3.686
  281   2HD   ARG  38           HD1      ARG  38  -2.848  12.413  -3.820
  282    HE   ARG  38           HE       ARG  38  -2.980   9.434  -4.028
  283   1HH1  ARG  38          HH21      ARG  38  -0.533   9.435  -4.651
  284   2HH1  ARG  38          HH22      ARG  38  -0.247  10.213  -6.172
  285   1HH2  ARG  38          HH11      ARG  38  -3.372  11.801  -6.176
  286   2HH2  ARG  38          HH12      ARG  38  -1.897  11.587  -7.058
  287    H    LEU  39           HN       LEU  39  -5.257   7.211  -3.260
  288    HA   LEU  39           HA       LEU  39  -6.523   5.978  -0.924
  289   1HB   LEU  39           HB2      LEU  39  -7.471   5.426  -3.061
  290   2HB   LEU  39           HB1      LEU  39  -5.900   4.989  -3.716
  291    HG   LEU  39           HG       LEU  39  -5.773   3.023  -2.306
  292   1HD1  LEU  39          HD12      LEU  39  -8.154   4.293  -0.942
  293   2HD1  LEU  39          HD11      LEU  39  -7.838   2.567  -0.793
  294   3HD1  LEU  39          HD13      LEU  39  -6.650   3.732  -0.217
  295   1HD2  LEU  39          HD23      LEU  39  -7.586   3.307  -4.313
  296   2HD2  LEU  39          HD22      LEU  39  -7.319   1.789  -3.461
  297   3HD2  LEU  39          HD21      LEU  39  -8.654   2.837  -2.994
  298    H    THR  40           HN       THR  40  -5.172   5.406   0.683
  299    HA   THR  40           HA       THR  40  -2.487   4.355   0.068
  300    HB   THR  40           HB       THR  40  -2.012   4.674   2.386
  301    HG1  THR  40           HG1      THR  40  -4.163   4.956   3.651
  302   1HG2  THR  40          HG22      THR  40  -2.760   6.864   1.293
  303   2HG2  THR  40          HG21      THR  40  -4.365   6.550   1.949
  304   3HG2  THR  40          HG23      THR  40  -3.003   6.802   3.036
  305    NH1  ARG  41           NH2      ARG  41   0.983  -3.074  -0.476
  306    NH2  ARG  41           NH1      ARG  41   2.373  -3.198   1.334
  307    H    ARG  41           HN       ARG  41  -1.837   2.404   1.536
  308    HA   ARG  41           HA       ARG  41  -3.669   0.214   0.804
  309   1HB   ARG  41           HB2      ARG  41  -1.082   0.233   0.558
  310   2HB   ARG  41           HB1      ARG  41  -1.068  -0.121   2.281
  311   1HG   ARG  41           HG2      ARG  41  -2.930  -1.919   1.435
  312   2HG   ARG  41           HG1      ARG  41  -1.906  -1.835   0.006
  313   1HD   ARG  41           HD2      ARG  41  -1.049  -2.509   2.839
  314   2HD   ARG  41           HD1      ARG  41  -0.989  -3.562   1.426
  315    HE   ARG  41           HE       ARG  41   0.732  -1.134   1.737
  316   1HH1  ARG  41          HH21      ARG  41   0.138  -2.730  -0.884
  317   2HH1  ARG  41          HH22      ARG  41   1.602  -3.646  -1.015
  318   1HH2  ARG  41          HH11      ARG  41   2.568  -2.948   2.282
  319   2HH2  ARG  41          HH12      ARG  41   3.015  -3.774   0.826
  320    H    GLU  42           HN       GLU  42  -3.246   2.221   3.427
  321    HA   GLU  42           HA       GLU  42  -3.850   0.203   5.488
  322   1HB   GLU  42           HB2      GLU  42  -3.742   3.222   5.711
  323   2HB   GLU  42           HB1      GLU  42  -3.766   2.079   7.050
  324   1HG   GLU  42           HG2      GLU  42  -1.664   1.208   5.394
  325   2HG   GLU  42           HG1      GLU  42  -1.509   2.963   5.442
  326    H    ASP  43           HN       ASP  43  -5.600   1.845   3.202
  327    HA   ASP  43           HA       ASP  43  -8.003   2.207   4.897
  328   1HB   ASP  43           HB2      ASP  43  -7.245   2.971   2.095
  329   2HB   ASP  43           HB1      ASP  43  -8.946   2.915   2.549
  330    H    VAL  44           HN       VAL  44  -6.761   0.146   2.350
  331    HA   VAL  44           HA       VAL  44  -9.315  -1.288   2.073
  332    HB   VAL  44           HB       VAL  44  -6.658  -2.180   0.961
  333   1HG1  VAL  44          HG11      VAL  44  -9.538  -2.395   0.014
  334   2HG1  VAL  44          HG13      VAL  44  -8.140  -3.035  -0.844
  335   3HG1  VAL  44          HG12      VAL  44  -8.590  -3.698   0.724
  336   1HG2  VAL  44          HG23      VAL  44  -8.526  -0.016  -0.059
  337   2HG2  VAL  44          HG22      VAL  44  -6.826   0.166   0.366
  338   3HG2  VAL  44          HG21      VAL  44  -7.284  -0.775  -1.050
  339    H    GLU  45           HN       GLU  45  -6.641  -1.391   4.131
  340    HA   GLU  45           HA       GLU  45  -6.309  -4.162   4.625
  341   1HB   GLU  45           HB2      GLU  45  -4.815  -2.506   5.606
  342   2HB   GLU  45           HB1      GLU  45  -6.138  -1.830   6.550
  343   1HG   GLU  45           HG2      GLU  45  -5.594  -4.763   6.818
  344   2HG   GLU  45           HG1      GLU  45  -4.477  -3.646   7.598
  345    H    LYS  46           HN       LYS  46  -8.523  -1.850   6.164
  346    HA   LYS  46           HA       LYS  46  -9.828  -3.917   7.744
  347   1HB   LYS  46           HB2      LYS  46 -11.147  -1.296   7.154
  348   2HB   LYS  46           HB1      LYS  46 -11.081  -2.195   8.666
  349   1HG   LYS  46           HG2      LYS  46  -8.563  -1.708   8.679
  350   2HG   LYS  46           HG1      LYS  46  -8.879  -0.561   7.381
  351   1HD   LYS  46           HD2      LYS  46  -9.151   0.866   9.177
  352   2HD   LYS  46           HD1      LYS  46 -10.793   0.238   9.089
  353   1HE   LYS  46           HE2      LYS  46 -10.076   0.048  11.389
  354   2HE   LYS  46           HE1      LYS  46 -10.091  -1.574  10.712
  355   1HZ   LYS  46           HZ3      LYS  46  -7.635  -1.036  10.167
  356   2HZ   LYS  46           HZ2      LYS  46  -7.802   0.132  11.389
  357   3HZ   LYS  46           HZ1      LYS  46  -8.067  -1.508  11.741
  358    H    HIS  47           HN       HIS  47  -9.724  -4.377   4.871
  359    HA   HIS  47           HA       HIS  47 -12.642  -4.751   4.419
  360   1HB   HIS  47           HB2      HIS  47 -11.463  -2.708   3.171
  361   2HB   HIS  47           HB1      HIS  47 -10.964  -3.988   2.069
  362    HD1  HIS  47           HD1      HIS  47 -14.033  -2.434   3.372
  363    HD2  HIS  47           HD2      HIS  47 -12.978  -5.066   0.471
  364    HE1  HIS  47           HE1      HIS  47 -16.042  -2.739   2.047
  365    H    LEU  48           HN       LEU  48  -9.329  -5.591   3.610
  366    HA   LEU  48           HA       LEU  48  -9.954  -7.842   1.930
  367   1HB   LEU  48           HB2      LEU  48  -7.537  -6.859   3.385
  368   2HB   LEU  48           HB1      LEU  48  -7.537  -8.526   2.824
  369    HG   LEU  48           HG       LEU  48  -8.429  -6.389   0.917
  370   1HD1  LEU  48          HD12      LEU  48  -5.626  -6.854   1.917
  371   2HD1  LEU  48          HD11      LEU  48  -5.889  -6.374   0.243
  372   3HD1  LEU  48          HD13      LEU  48  -6.430  -5.329   1.553
  373   1HD2  LEU  48          HD23      LEU  48  -8.538  -8.803   0.330
  374   2HD2  LEU  48          HD22      LEU  48  -7.392  -7.947  -0.695
  375   3HD2  LEU  48          HD21      LEU  48  -6.809  -8.946   0.633
  376    H    ALA  49           HN       ALA  49  -8.798  -7.752   5.300
  377    HA   ALA  49           HA       ALA  49  -9.588 -10.549   5.695
  378   1HB   ALA  49           HB1      ALA  49  -7.925  -8.606   7.053
  379   2HB   ALA  49           HB3      ALA  49  -9.012  -9.392   8.192
  380   3HB   ALA  49           HB2      ALA  49  -7.925 -10.361   7.203
  381    H    LYS  50           HN       LYS  50 -10.752 -10.885   7.971
  382    HA   LYS  50           HA       LYS  50 -13.455 -10.030   7.611
  383   1HB   LYS  50           HB2      LYS  50 -12.117 -11.102  10.109
  384   2HB   LYS  50           HB1      LYS  50 -13.852 -11.029   9.830
  385   1HG   LYS  50           HG2      LYS  50 -13.698 -12.579   7.986
  386   2HG   LYS  50           HG1      LYS  50 -11.941 -12.498   7.991
  387   1HD   LYS  50           HD2      LYS  50 -12.738 -14.558   9.113
  388   2HD   LYS  50           HD1      LYS  50 -11.892 -13.509  10.245
  389   1HE   LYS  50           HE2      LYS  50 -14.863 -13.204   9.926
  390   2HE   LYS  50           HE1      LYS  50 -14.244 -14.539  10.891
  391   1HZ   LYS  50           HZ1      LYS  50 -12.957 -12.057  11.491
  392   2HZ   LYS  50           HZ3      LYS  50 -14.633 -11.996  11.752
  393   3HZ   LYS  50           HZ2      LYS  50 -13.696 -13.177  12.532
  394    H    ALA  51           HN       ALA  51 -14.113  -7.982   7.818
  395    HA   ALA  51           HA       ALA  51 -13.436  -6.531  10.311
  396   1HB   ALA  51           HB2      ALA  51 -12.602  -5.734   7.561
  397   2HB   ALA  51           HB1      ALA  51 -13.144  -4.458   8.647
  398   3HB   ALA  51           HB3      ALA  51 -11.782  -5.479   9.098
   
 Raw file had 398 H/Q atoms
  Start of MODEL   30
    1    OH   TYR   1           OH       TYR   1  22.493  -0.107 -11.204
    2   1H    TYR   1           HT3      TYR   1  27.347   3.103 -10.399
    3   2H    TYR   1           HT2      TYR   1  27.950   1.646 -11.027
    4   3H    TYR   1           HT1      TYR   1  29.002   2.949 -10.744
    5    HA   TYR   1           HA       TYR   1  28.718   3.578 -12.829
    6   1HB   TYR   1           HB2      TYR   1  27.126   2.421 -14.326
    7   2HB   TYR   1           HB1      TYR   1  28.060   1.266 -13.379
    8    HD1  TYR   1           HD1      TYR   1  27.005   0.010 -11.554
    9    HD2  TYR   1           HD2      TYR   1  24.750   2.797 -13.842
   10    HE1  TYR   1           HE1      TYR   1  24.929  -0.917 -10.637
   11    HE2  TYR   1           HE2      TYR   1  22.674   1.868 -12.926
   12    HH   TYR   1           HH       TYR   1  21.932  -0.363 -11.939
   13    H    ALA   2           HN       ALA   2  26.612   4.262 -14.381
   14    HA   ALA   2           HA       ALA   2  24.662   5.727 -12.708
   15   1HB   ALA   2           HB1      ALA   2  26.657   7.219 -12.922
   16   2HB   ALA   2           HB3      ALA   2  26.461   7.171 -14.672
   17   3HB   ALA   2           HB2      ALA   2  25.212   7.896 -13.664
   18    H    SER   3           HN       SER   3  23.069   6.918 -14.138
   19    HA   SER   3           HA       SER   3  22.849   5.801 -16.872
   20   1HB   SER   3           HB2      SER   3  21.224   4.924 -14.578
   21   2HB   SER   3           HB1      SER   3  20.270   5.417 -15.991
   22    HG   SER   3           HG1      SER   3  21.195   3.180 -15.937
   23    H    LEU   4           HN       LEU   4  20.618   6.666 -17.805
   24    HA   LEU   4           HA       LEU   4  20.820   9.484 -17.974
   25   1HB   LEU   4           HB2      LEU   4  18.405   7.729 -18.496
   26   2HB   LEU   4           HB1      LEU   4  18.584   9.392 -19.043
   27    HG   LEU   4           HG       LEU   4  20.823   7.547 -19.708
   28   1HD1  LEU   4          HD13      LEU   4  18.057   7.362 -20.939
   29   2HD1  LEU   4          HD12      LEU   4  19.507   6.757 -21.734
   30   3HD1  LEU   4          HD11      LEU   4  18.984   6.059 -20.204
   31   1HD2  LEU   4          HD22      LEU   4  20.458  10.048 -20.348
   32   2HD2  LEU   4          HD21      LEU   4  20.993   8.943 -21.611
   33   3HD2  LEU   4          HD23      LEU   4  19.301   9.422 -21.520
   34    H    GLU   5           HN       GLU   5  17.593   8.783 -17.263
   35    HA   GLU   5           HA       GLU   5  17.816  10.238 -14.656
   36   1HB   GLU   5           HB2      GLU   5  15.210  10.050 -16.077
   37   2HB   GLU   5           HB1      GLU   5  15.895  11.391 -15.165
   38   1HG   GLU   5           HG2      GLU   5  16.633  10.508 -17.972
   39   2HG   GLU   5           HG1      GLU   5  15.929  12.048 -17.485
   40    H    GLU   6           HN       GLU   6  17.750   8.768 -13.053
   41    HA   GLU   6           HA       GLU   6  15.397   6.982 -12.923
   42   1HB   GLU   6           HB2      GLU   6  17.090   5.608 -14.046
   43   2HB   GLU   6           HB1      GLU   6  18.240   5.950 -12.757
   44   1HG   GLU   6           HG2      GLU   6  17.187   4.547 -11.261
   45   2HG   GLU   6           HG1      GLU   6  15.588   4.866 -11.927
   46    H    GLN   7           HN       GLN   7  15.120   8.769 -11.280
   47    HA   GLN   7           HA       GLN   7  16.568   8.115  -8.739
   48   1HB   GLN   7           HB2      GLN   7  16.009  10.402  -8.014
   49   2HB   GLN   7           HB1      GLN   7  16.915  10.428  -9.523
   50   1HG   GLN   7           HG2      GLN   7  14.309  10.229 -10.415
   51   2HG   GLN   7           HG1      GLN   7  14.138  11.256  -8.994
   52   1HE2  GLN   7          HE22      GLN   7  16.723  12.620 -11.897
   53   2HE2  GLN   7          HE21      GLN   7  16.708  10.966 -11.513
   54    H    ASN   8           HN       ASN   8  14.867   6.317  -8.775
   55    HA   ASN   8           HA       ASN   8  12.123   7.113  -8.165
   56   1HB   ASN   8           HB2      ASN   8  12.259   4.502  -7.403
   57   2HB   ASN   8           HB1      ASN   8  11.993   5.021  -9.066
   58   1HD2  ASN   8          HD22      ASN   8  15.882   4.074  -8.096
   59   2HD2  ASN   8          HD21      ASN   8  14.944   4.959  -6.992
   60    H    ASN   9           HN       ASN   9  11.082   6.934  -6.162
   61    HA   ASN   9           HA       ASN   9  12.311   6.013  -3.756
   62   1HB   ASN   9           HB2      ASN   9  13.196   8.597  -4.636
   63   2HB   ASN   9           HB1      ASN   9  12.260   8.788  -3.156
   64   1HD2  ASN   9          HD22      ASN   9  14.505   6.484  -1.349
   65   2HD2  ASN   9          HD21      ASN   9  12.837   6.645  -1.616
   66    H    ASP  10           HN       ASP  10  10.345   5.254  -3.121
   67    HA   ASP  10           HA       ASP  10   8.360   7.285  -2.284
   68   1HB   ASP  10           HB2      ASP  10   7.956   5.283  -4.449
   69   2HB   ASP  10           HB1      ASP  10   6.620   5.521  -3.326
   70    H    ALA  11           HN       ALA  11   7.413   6.747  -0.391
   71    HA   ALA  11           HA       ALA  11   8.325   4.415   1.046
   72   1HB   ALA  11           HB2      ALA  11   7.202   6.822   1.759
   73   2HB   ALA  11           HB1      ALA  11   5.880   5.699   2.057
   74   3HB   ALA  11           HB3      ALA  11   7.433   5.463   2.852
   75    H    LEU  12           HN       LEU  12   5.600   5.104  -0.972
   76    HA   LEU  12           HA       LEU  12   3.739   3.160  -0.109
   77   1HB   LEU  12           HB2      LEU  12   4.364   4.007  -2.952
   78   2HB   LEU  12           HB1      LEU  12   2.895   3.191  -2.433
   79    HG   LEU  12           HG       LEU  12   3.672   5.698  -0.990
   80   1HD1  LEU  12          HD11      LEU  12   2.618   5.544  -3.823
   81   2HD1  LEU  12          HD13      LEU  12   2.332   6.947  -2.799
   82   3HD1  LEU  12          HD12      LEU  12   3.977   6.488  -3.224
   83   1HD2  LEU  12          HD23      LEU  12   1.608   4.058  -0.675
   84   2HD2  LEU  12          HD22      LEU  12   1.391   5.799  -0.524
   85   3HD2  LEU  12          HD21      LEU  12   0.946   4.982  -2.020
   86    H    SER  13           HN       SER  13   3.233   1.077  -1.302
   87    HA   SER  13           HA       SER  13   5.734  -0.473  -1.470
   88   1HB   SER  13           HB2      SER  13   4.508  -2.158  -0.561
   89   2HB   SER  13           HB1      SER  13   3.144  -1.026  -0.469
   90    HG   SER  13           HG1      SER  13   2.298  -2.011  -2.111
   91    HA   PRO  14           HA       PRO  14   5.716  -0.896  -5.870
   92   1HB   PRO  14           HB2      PRO  14   6.159  -3.696  -6.044
   93   2HB   PRO  14           HB1      PRO  14   7.377  -2.421  -6.100
   94   1HG   PRO  14           HG2      PRO  14   6.776  -4.280  -3.906
   95   2HG   PRO  14           HG1      PRO  14   8.147  -3.182  -4.069
   96   1HD   PRO  14           HD1      PRO  14   5.920  -2.862  -2.318
   97   2HD   PRO  14           HD2      PRO  14   7.188  -1.670  -2.666
   98    H    ALA  15           HN       ALA  15   4.201  -3.755  -4.382
   99    HA   ALA  15           HA       ALA  15   2.413  -4.258  -6.573
  100   1HB   ALA  15           HB2      ALA  15   3.057  -5.968  -4.900
  101   2HB   ALA  15           HB1      ALA  15   2.136  -5.095  -3.679
  102   3HB   ALA  15           HB3      ALA  15   1.308  -5.822  -5.052
  103    H    ILE  16           HN       ILE  16   2.329  -1.881  -4.142
  104    HA   ILE  16           HA       ILE  16  -0.356  -1.578  -3.478
  105    HB   ILE  16           HB       ILE  16   1.622  -0.055  -2.863
  106   1HG1  ILE  16          HG12      ILE  16  -1.027   1.211  -3.659
  107   2HG1  ILE  16          HG11      ILE  16  -0.742   0.328  -2.165
  108   1HG2  ILE  16          HG21      ILE  16   1.936   0.393  -5.445
  109   2HG2  ILE  16          HG23      ILE  16   0.696   1.616  -5.186
  110   3HG2  ILE  16          HG22      ILE  16   2.213   1.699  -4.297
  111   1HD1  ILE  16           HD1      ILE  16   1.075   1.966  -1.601
  112   2HD1  ILE  16           HD3      ILE  16   0.638   2.888  -3.036
  113   3HD1  ILE  16           HD2      ILE  16  -0.514   2.715  -1.715
  114    NH1  ARG  17           NH2      ARG  17  -2.134   4.164  -9.183
  115    NH2  ARG  17           NH1      ARG  17  -0.892   4.926  -7.424
  116    H    ARG  17           HN       ARG  17   1.085  -1.290  -6.596
  117    HA   ARG  17           HA       ARG  17  -1.322   0.037  -7.718
  118   1HB   ARG  17           HB2      ARG  17   1.376  -0.703  -8.848
  119   2HB   ARG  17           HB1      ARG  17   0.049  -0.200  -9.890
  120   1HG   ARG  17           HG2      ARG  17   0.485   1.528  -7.529
  121   2HG   ARG  17           HG1      ARG  17   1.803   1.535  -8.695
  122   1HD   ARG  17           HD2      ARG  17   0.300   2.159 -10.492
  123   2HD   ARG  17           HD1      ARG  17  -1.109   1.934  -9.459
  124    HE   ARG  17           HE       ARG  17   0.906   4.112  -9.069
  125   1HH1  ARG  17          HH21      ARG  17  -2.185   3.638 -10.032
  126   2HH1  ARG  17          HH22      ARG  17  -2.951   4.622  -8.831
  127   1HH2  ARG  17          HH11      ARG  17  -0.010   4.971  -6.955
  128   2HH2  ARG  17          HH12      ARG  17  -1.687   5.397  -7.041
  129    NH1  ARG  18           NH1      ARG  18   4.854  -3.987 -10.810
  130    NH2  ARG  18           NH2      ARG  18   4.404  -3.097 -12.867
  131    H    ARG  18           HN       ARG  18   0.426  -3.023  -7.859
  132    HA   ARG  18           HA       ARG  18  -1.620  -4.180  -9.651
  133   1HB   ARG  18           HB2      ARG  18   0.952  -5.233  -8.467
  134   2HB   ARG  18           HB1      ARG  18  -0.157  -6.261  -9.367
  135   1HG   ARG  18           HG2      ARG  18   0.421  -5.331 -11.365
  136   2HG   ARG  18           HG1      ARG  18   0.439  -3.701 -10.703
  137   1HD   ARG  18           HD2      ARG  18   2.645  -4.111  -9.689
  138   2HD   ARG  18           HD1      ARG  18   2.623  -5.772 -10.279
  139    HE   ARG  18           HE       ARG  18   2.322  -4.392 -12.601
  140   1HH1  ARG  18          HH11      ARG  18   4.548  -4.525 -10.025
  141   2HH1  ARG  18          HH12      ARG  18   5.776  -3.600 -10.823
  142   1HH2  ARG  18          HH21      ARG  18   3.760  -2.966 -13.620
  143   2HH2  ARG  18          HH22      ARG  18   5.318  -2.694 -12.913
  144    H    LEU  19           HN       LEU  19  -1.523  -3.507  -6.490
  145    HA   LEU  19           HA       LEU  19  -2.280  -5.980  -5.237
  146   1HB   LEU  19           HB2      LEU  19  -1.517  -3.852  -4.075
  147   2HB   LEU  19           HB1      LEU  19  -3.124  -3.204  -4.375
  148    HG   LEU  19           HG       LEU  19  -3.798  -5.603  -3.304
  149   1HD1  LEU  19          HD13      LEU  19  -1.219  -5.928  -3.001
  150   2HD1  LEU  19          HD12      LEU  19  -1.400  -4.802  -1.660
  151   3HD1  LEU  19          HD11      LEU  19  -2.279  -6.327  -1.653
  152   1HD2  LEU  19          HD22      LEU  19  -3.128  -2.981  -1.946
  153   2HD2  LEU  19          HD21      LEU  19  -4.711  -3.564  -2.450
  154   3HD2  LEU  19          HD23      LEU  19  -3.892  -4.312  -1.082
  155    H    LEU  20           HN       LEU  20  -4.010  -3.588  -7.074
  156    HA   LEU  20           HA       LEU  20  -6.662  -4.474  -6.284
  157   1HB   LEU  20           HB2      LEU  20  -5.625  -2.766  -8.549
  158   2HB   LEU  20           HB1      LEU  20  -7.333  -3.153  -8.371
  159    HG   LEU  20           HG       LEU  20  -5.891  -2.134  -5.957
  160   1HD1  LEU  20          HD11      LEU  20  -6.792  -0.387  -8.274
  161   2HD1  LEU  20          HD13      LEU  20  -6.278   0.205  -6.698
  162   3HD1  LEU  20          HD12      LEU  20  -5.127  -0.616  -7.748
  163   1HD2  LEU  20          HD22      LEU  20  -8.283  -2.819  -5.907
  164   2HD2  LEU  20          HD21      LEU  20  -8.095  -1.103  -5.560
  165   3HD2  LEU  20          HD23      LEU  20  -8.638  -1.625  -7.152
  166    H    ALA  21           HN       ALA  21  -4.295  -5.525  -8.551
  167    HA   ALA  21           HA       ALA  21  -6.270  -7.108 -10.092
  168   1HB   ALA  21           HB1      ALA  21  -3.528  -6.153 -10.517
  169   2HB   ALA  21           HB3      ALA  21  -3.773  -7.819 -11.029
  170   3HB   ALA  21           HB2      ALA  21  -4.776  -6.536 -11.697
  171    H    GLU  22           HN       GLU  22  -4.336  -7.434  -7.357
  172    HA   GLU  22           HA       GLU  22  -3.851 -10.320  -7.676
  173   1HB   GLU  22           HB2      GLU  22  -2.359  -8.600  -6.418
  174   2HB   GLU  22           HB1      GLU  22  -3.518  -8.789  -5.107
  175   1HG   GLU  22           HG2      GLU  22  -2.132 -10.533  -4.532
  176   2HG   GLU  22           HG1      GLU  22  -3.098 -11.398  -5.724
  177    H    HIS  23           HN       HIS  23  -6.287  -8.262  -6.442
  178    HA   HIS  23           HA       HIS  23  -7.678 -10.629  -5.245
  179   1HB   HIS  23           HB2      HIS  23  -7.971  -7.817  -4.188
  180   2HB   HIS  23           HB1      HIS  23  -8.466  -9.324  -3.422
  181    HD1  HIS  23           HD1      HIS  23  -6.077 -10.918  -3.374
  182    HD2  HIS  23           HD2      HIS  23  -5.755  -6.901  -2.902
  183    HE1  HIS  23           HE1      HIS  23  -3.945 -10.590  -2.261
  184    H    ASN  24           HN       ASN  24  -7.829  -7.742  -7.149
  185    HA   ASN  24           HA       ASN  24  -9.475  -7.055  -8.688
  186   1HB   ASN  24           HB2      ASN  24  -9.758  -9.721  -8.709
  187   2HB   ASN  24           HB1      ASN  24 -11.305  -9.295  -7.980
  188   1HD2  ASN  24          HD22      ASN  24 -11.221  -9.110 -11.855
  189   2HD2  ASN  24          HD21      ASN  24 -10.436 -10.216 -10.834
  190    H    LEU  25           HN       LEU  25  -9.442  -6.067  -6.061
  191    HA   LEU  25           HA       LEU  25 -12.265  -5.992  -5.179
  192   1HB   LEU  25           HB2      LEU  25  -9.640  -5.181  -4.022
  193   2HB   LEU  25           HB1      LEU  25 -11.071  -4.315  -3.475
  194    HG   LEU  25           HG       LEU  25 -11.123  -7.323  -3.605
  195   1HD1  LEU  25          HD12      LEU  25  -9.918  -5.627  -1.392
  196   2HD1  LEU  25          HD11      LEU  25 -10.329  -7.330  -1.223
  197   3HD1  LEU  25          HD13      LEU  25  -9.079  -6.835  -2.359
  198   1HD2  LEU  25          HD21      LEU  25 -13.031  -5.504  -3.004
  199   2HD2  LEU  25          HD23      LEU  25 -12.974  -7.094  -2.249
  200   3HD2  LEU  25          HD22      LEU  25 -12.312  -5.695  -1.407
  201    H    ASP  26           HN       ASP  26 -13.522  -4.131  -5.175
  202    HA   ASP  26           HA       ASP  26 -12.673  -2.077  -7.137
  203   1HB   ASP  26           HB2      ASP  26 -15.344  -2.583  -5.797
  204   2HB   ASP  26           HB1      ASP  26 -15.050  -1.352  -7.023
  205    H    ALA  27           HN       ALA  27 -12.171  -0.027  -6.594
  206    HA   ALA  27           HA       ALA  27 -11.893   0.624  -3.753
  207   1HB   ALA  27           HB1      ALA  27 -11.322   2.228  -6.257
  208   2HB   ALA  27           HB3      ALA  27 -10.934   2.762  -4.625
  209   3HB   ALA  27           HB2      ALA  27 -10.150   1.334  -5.294
  210    H    SER  28           HN       SER  28 -14.091   1.354  -6.343
  211    HA   SER  28           HA       SER  28 -15.317   3.713  -5.516
  212   1HB   SER  28           HB2      SER  28 -17.000   3.134  -6.973
  213   2HB   SER  28           HB1      SER  28 -15.925   1.780  -7.376
  214    HG   SER  28           HG1      SER  28 -18.017   1.085  -6.671
  215    H    ALA  29           HN       ALA  29 -15.179   0.737  -3.848
  216    HA   ALA  29           HA       ALA  29 -17.492   1.399  -2.120
  217   1HB   ALA  29           HB3      ALA  29 -15.646  -0.984  -2.301
  218   2HB   ALA  29           HB2      ALA  29 -16.815  -0.799  -0.998
  219   3HB   ALA  29           HB1      ALA  29 -17.367  -0.918  -2.667
  220    H    ILE  30           HN       ILE  30 -14.001   1.360  -2.080
  221    HA   ILE  30           HA       ILE  30 -13.966   2.056   0.803
  222    HB   ILE  30           HB       ILE  30 -11.455   1.985  -0.813
  223   1HG1  ILE  30          HG12      ILE  30 -12.770   0.004  -1.632
  224   2HG1  ILE  30          HG11      ILE  30 -11.315  -0.445  -0.770
  225   1HG2  ILE  30          HG22      ILE  30 -12.251   1.002   1.945
  226   2HG2  ILE  30          HG21      ILE  30 -10.634   0.867   1.265
  227   3HG2  ILE  30          HG23      ILE  30 -11.331   2.452   1.569
  228   1HD1  ILE  30           HD3      ILE  30 -13.934  -0.235   0.711
  229   2HD1  ILE  30           HD2      ILE  30 -13.537  -1.687  -0.190
  230   3HD1  ILE  30           HD1      ILE  30 -12.501  -1.163   1.132
  231    H    LYS  31           HN       LYS  31 -13.102   3.997   1.575
  232    HA   LYS  31           HA       LYS  31 -13.059   6.200  -0.448
  233   1HB   LYS  31           HB2      LYS  31 -13.974   6.002   2.377
  234   2HB   LYS  31           HB1      LYS  31 -13.271   7.532   1.867
  235   1HG   LYS  31           HG2      LYS  31 -14.924   7.895   0.235
  236   2HG   LYS  31           HG1      LYS  31 -15.342   6.188   0.141
  237   1HD   LYS  31           HD2      LYS  31 -16.356   6.277   2.370
  238   2HD   LYS  31           HD1      LYS  31 -15.853   7.954   2.559
  239   1HE   LYS  31           HE2      LYS  31 -17.403   7.375   0.099
  240   2HE   LYS  31           HE1      LYS  31 -18.300   7.205   1.603
  241   1HZ   LYS  31           HZ2      LYS  31 -17.419   9.454   2.206
  242   2HZ   LYS  31           HZ1      LYS  31 -16.876   9.598   0.603
  243   3HZ   LYS  31           HZ3      LYS  31 -18.535   9.424   0.926
  244    H    GLY  32           HN       GLY  32 -11.529   7.955  -0.067
  245   1HA   GLY  32           HA2      GLY  32  -8.933   6.873   0.876
  246   2HA   GLY  32           HA1      GLY  32  -9.141   8.305  -0.128
  247    H    THR  33           HN       THR  33  -7.612   8.028   2.341
  248    HA   THR  33           HA       THR  33  -8.813  10.317   3.773
  249    HB   THR  33           HB       THR  33  -8.298   9.017   6.003
  250    HG1  THR  33           HG1      THR  33  -7.256   7.356   4.671
  251   1HG2  THR  33          HG22      THR  33 -10.648   9.475   4.994
  252   2HG2  THR  33          HG21      THR  33 -10.531   7.858   4.307
  253   3HG2  THR  33          HG23      THR  33 -10.512   8.076   6.054
  254    H    GLY  34           HN       GLY  34  -6.458   9.887   2.097
  255   1HA   GLY  34           HA2      GLY  34  -4.096   9.722   3.728
  256   2HA   GLY  34           HA1      GLY  34  -4.162  10.393   2.100
  257    H    VAL  35           HN       VAL  35  -2.526  11.812   3.389
  258    HA   VAL  35           HA       VAL  35  -3.277  13.693   5.321
  259    HB   VAL  35           HB       VAL  35  -1.404  13.954   2.963
  260   1HG1  VAL  35          HG11      VAL  35  -2.106  15.902   5.163
  261   2HG1  VAL  35          HG13      VAL  35  -0.507  15.914   4.426
  262   3HG1  VAL  35          HG12      VAL  35  -1.933  16.213   3.438
  263   1HG2  VAL  35          HG21      VAL  35  -0.990  13.567   5.949
  264   2HG2  VAL  35          HG23      VAL  35  -0.774  12.332   4.711
  265   3HG2  VAL  35          HG22      VAL  35   0.300  13.728   4.761
  266    H    GLY  36           HN       GLY  36  -4.477  13.350   2.170
  267   1HA   GLY  36           HA2      GLY  36  -5.986  15.895   2.472
  268   2HA   GLY  36           HA1      GLY  36  -5.116  15.619   0.967
  269    H    GLY  37           HN       GLY  37  -5.633  12.759   0.928
  270   1HA   GLY  37           HA2      GLY  37  -8.184  11.818   1.160
  271   2HA   GLY  37           HA1      GLY  37  -8.327  12.882  -0.235
  272    NH1  ARG  38           NH1      ARG  38   0.722  12.695  -2.279
  273    NH2  ARG  38           NH2      ARG  38   0.157  13.041  -0.093
  274    H    ARG  38           HN       ARG  38  -5.361  12.124  -0.738
  275    HA   ARG  38           HA       ARG  38  -5.703  10.350  -2.856
  276   1HB   ARG  38           HB2      ARG  38  -3.280  10.318  -1.045
  277   2HB   ARG  38           HB1      ARG  38  -3.337   9.922  -2.758
  278   1HG   ARG  38           HG2      ARG  38  -4.133  12.293  -3.184
  279   2HG   ARG  38           HG1      ARG  38  -3.793  12.640  -1.492
  280   1HD   ARG  38           HD2      ARG  38  -1.757  11.567  -3.477
  281   2HD   ARG  38           HD1      ARG  38  -1.878  13.251  -2.972
  282    HE   ARG  38           HE       ARG  38  -1.529  11.251  -0.820
  283   1HH1  ARG  38          HH11      ARG  38   0.489  12.312  -3.174
  284   2HH1  ARG  38          HH12      ARG  38   1.587  13.180  -2.153
  285   1HH2  ARG  38          HH21      ARG  38  -0.499  12.918   0.651
  286   2HH2  ARG  38          HH22      ARG  38   1.013  13.532   0.070
  287    H    LEU  39           HN       LEU  39  -6.292   8.278  -3.007
  288    HA   LEU  39           HA       LEU  39  -6.980   6.683  -0.753
  289   1HB   LEU  39           HB2      LEU  39  -7.751   6.418  -3.182
  290   2HB   LEU  39           HB1      LEU  39  -6.234   5.569  -3.459
  291    HG   LEU  39           HG       LEU  39  -7.031   4.271  -1.236
  292   1HD1  LEU  39          HD12      LEU  39  -9.119   5.701  -1.157
  293   2HD1  LEU  39          HD11      LEU  39  -9.620   4.951  -2.668
  294   3HD1  LEU  39          HD13      LEU  39  -9.439   3.971  -1.217
  295   1HD2  LEU  39          HD21      LEU  39  -7.690   3.833  -4.144
  296   2HD2  LEU  39          HD23      LEU  39  -6.521   2.983  -3.140
  297   3HD2  LEU  39          HD22      LEU  39  -8.243   2.679  -2.935
  298    H    THR  40           HN       THR  40  -5.539   6.033   0.731
  299    HA   THR  40           HA       THR  40  -2.756   5.466   0.008
  300    HB   THR  40           HB       THR  40  -2.402   5.187   2.403
  301    HG1  THR  40           HG1      THR  40  -3.993   3.980   3.163
  302   1HG2  THR  40          HG23      THR  40  -3.433   7.521   1.449
  303   2HG2  THR  40          HG22      THR  40  -4.716   7.066   2.566
  304   3HG2  THR  40          HG21      THR  40  -3.071   7.281   3.155
  305    NH1  ARG  41           NH2      ARG  41   0.935  -0.437   3.523
  306    NH2  ARG  41           NH1      ARG  41   2.473  -1.563   2.263
  307    H    ARG  41           HN       ARG  41  -2.434   3.334   1.954
  308    HA   ARG  41           HA       ARG  41  -3.587   1.070   0.364
  309   1HB   ARG  41           HB2      ARG  41  -1.165   1.196   0.146
  310   2HB   ARG  41           HB1      ARG  41  -0.983   1.249   1.897
  311   1HG   ARG  41           HG2      ARG  41  -1.789  -0.991   2.145
  312   2HG   ARG  41           HG1      ARG  41  -2.380  -1.039   0.488
  313   1HD   ARG  41           HD2      ARG  41  -0.128  -2.224   0.969
  314   2HD   ARG  41           HD1      ARG  41  -0.176  -1.129  -0.411
  315    HE   ARG  41           HE       ARG  41   1.110   0.473   0.869
  316   1HH1  ARG  41          HH21      ARG  41   0.128   0.152   3.566
  317   2HH1  ARG  41          HH22      ARG  41   1.370  -0.751   4.368
  318   1HH2  ARG  41          HH11      ARG  41   2.818  -1.818   1.359
  319   2HH2  ARG  41          HH12      ARG  41   2.933  -1.896   3.086
  320    H    GLU  42           HN       GLU  42  -2.757   2.205   3.600
  321    HA   GLU  42           HA       GLU  42  -3.604  -0.084   5.059
  322   1HB   GLU  42           HB2      GLU  42  -2.592   2.399   5.706
  323   2HB   GLU  42           HB1      GLU  42  -4.228   2.476   6.351
  324   1HG   GLU  42           HG2      GLU  42  -2.856   1.529   8.090
  325   2HG   GLU  42           HG1      GLU  42  -3.786   0.194   7.412
  326    H    ASP  43           HN       ASP  43  -5.406   2.467   3.531
  327    HA   ASP  43           HA       ASP  43  -7.904   1.894   4.921
  328   1HB   ASP  43           HB2      ASP  43  -7.078   3.617   2.614
  329   2HB   ASP  43           HB1      ASP  43  -8.789   3.258   2.836
  330    H    VAL  44           HN       VAL  44  -6.270   0.708   2.106
  331    HA   VAL  44           HA       VAL  44  -8.709  -0.706   1.174
  332    HB   VAL  44           HB       VAL  44  -5.956  -0.308   0.002
  333   1HG1  VAL  44          HG12      VAL  44  -8.143  -2.248  -0.759
  334   2HG1  VAL  44          HG11      VAL  44  -7.033  -1.617  -1.972
  335   3HG1  VAL  44          HG13      VAL  44  -6.415  -2.550  -0.612
  336   1HG2  VAL  44          HG21      VAL  44  -8.130   1.287  -0.112
  337   2HG2  VAL  44          HG23      VAL  44  -7.016   1.123  -1.466
  338   3HG2  VAL  44          HG22      VAL  44  -8.517   0.201  -1.442
  339    H    GLU  45           HN       GLU  45  -5.978  -1.218   3.116
  340    HA   GLU  45           HA       GLU  45  -5.914  -4.136   2.663
  341   1HB   GLU  45           HB2      GLU  45  -3.830  -2.775   3.085
  342   2HB   GLU  45           HB1      GLU  45  -4.404  -2.523   4.729
  343   1HG   GLU  45           HG2      GLU  45  -4.457  -4.964   5.098
  344   2HG   GLU  45           HG1      GLU  45  -3.919  -5.233   3.442
  345    H    LYS  46           HN       LYS  46  -6.839  -1.833   5.179
  346    HA   LYS  46           HA       LYS  46  -7.549  -3.808   7.144
  347   1HB   LYS  46           HB2      LYS  46  -8.111  -0.899   6.743
  348   2HB   LYS  46           HB1      LYS  46  -9.071  -1.782   7.924
  349   1HG   LYS  46           HG2      LYS  46  -7.033  -2.526   9.068
  350   2HG   LYS  46           HG1      LYS  46  -6.035  -1.743   7.849
  351   1HD   LYS  46           HD2      LYS  46  -6.954   0.452   8.478
  352   2HD   LYS  46           HD1      LYS  46  -8.011  -0.313   9.659
  353   1HE   LYS  46           HE2      LYS  46  -5.344  -1.242  10.128
  354   2HE   LYS  46           HE1      LYS  46  -5.291   0.512   9.999
  355   1HZ   LYS  46           HZ3      LYS  46  -7.430   0.223  11.523
  356   2HZ   LYS  46           HZ2      LYS  46  -6.573  -1.166  11.992
  357   3HZ   LYS  46           HZ1      LYS  46  -5.859   0.367  12.151
  358    H    HIS  47           HN       HIS  47  -8.791  -3.482   4.188
  359    HA   HIS  47           HA       HIS  47 -11.635  -3.822   4.964
  360   1HB   HIS  47           HB2      HIS  47 -10.646  -2.428   2.925
  361   2HB   HIS  47           HB1      HIS  47 -10.715  -3.997   2.126
  362    HD1  HIS  47           HD1      HIS  47 -13.025  -1.834   4.075
  363    HD2  HIS  47           HD2      HIS  47 -13.185  -4.632   1.140
  364    HE1  HIS  47           HE1      HIS  47 -15.360  -1.913   3.415
  365    H    LEU  48           HN       LEU  48  -8.907  -5.694   4.392
  366    HA   LEU  48           HA       LEU  48 -10.263  -7.983   3.181
  367   1HB   LEU  48           HB2      LEU  48  -7.524  -7.586   4.388
  368   2HB   LEU  48           HB1      LEU  48  -8.071  -9.146   3.784
  369    HG   LEU  48           HG       LEU  48  -8.440  -6.781   1.995
  370   1HD1  LEU  48          HD12      LEU  48  -5.768  -8.143   2.479
  371   2HD1  LEU  48          HD11      LEU  48  -6.105  -7.009   1.175
  372   3HD1  LEU  48          HD13      LEU  48  -6.146  -6.464   2.849
  373   1HD2  LEU  48          HD21      LEU  48  -9.145  -9.161   1.470
  374   2HD2  LEU  48          HD23      LEU  48  -8.054  -8.451   0.284
  375   3HD2  LEU  48          HD22      LEU  48  -7.440  -9.598   1.470
  376    H    ALA  49           HN       ALA  49 -10.771  -9.937   4.208
  377    HA   ALA  49           HA       ALA  49 -11.891  -9.760   6.810
  378   1HB   ALA  49           HB3      ALA  49 -12.358 -11.497   4.974
  379   2HB   ALA  49           HB2      ALA  49 -10.934 -12.342   5.575
  380   3HB   ALA  49           HB1      ALA  49 -12.319 -12.090   6.632
  381    H    LYS  50           HN       LYS  50 -11.090 -10.088   8.816
  382    HA   LYS  50           HA       LYS  50  -8.167 -10.457   9.059
  383   1HB   LYS  50           HB2      LYS  50 -10.184  -9.939  11.254
  384   2HB   LYS  50           HB1      LYS  50  -8.442  -9.718  11.341
  385   1HG   LYS  50           HG2      LYS  50 -10.325  -8.192   9.510
  386   2HG   LYS  50           HG1      LYS  50  -9.588  -7.555  10.975
  387   1HD   LYS  50           HD2      LYS  50  -7.347  -8.374   9.767
  388   2HD   LYS  50           HD1      LYS  50  -8.332  -8.152   8.324
  389   1HE   LYS  50           HE2      LYS  50  -8.899  -5.841   9.146
  390   2HE   LYS  50           HE1      LYS  50  -7.759  -6.078  10.465
  391   1HZ   LYS  50           HZ1      LYS  50  -6.182  -6.698   8.483
  392   2HZ   LYS  50           HZ3      LYS  50  -7.250  -5.707   7.612
  393   3HZ   LYS  50           HZ2      LYS  50  -6.418  -5.084   8.955
  394    H    ALA  51           HN       ALA  51  -8.845 -11.460  11.894
  395    HA   ALA  51           HA       ALA  51  -8.795 -14.326  11.133
  396   1HB   ALA  51           HB3      ALA  51  -8.093 -12.817  13.647
  397   2HB   ALA  51           HB2      ALA  51  -8.255 -14.570  13.643
  398   3HB   ALA  51           HB1      ALA  51  -7.040 -13.796  12.631
   
 Raw file had 398 H/Q atoms
  Start of MODEL   31
    1    OH   TYR   1           OH       TYR   1  30.129  11.253   6.909
    2   1H    TYR   1           HT3      TYR   1  28.005   7.638   1.486
    3   2H    TYR   1           HT2      TYR   1  27.485   8.853   2.552
    4   3H    TYR   1           HT1      TYR   1  28.933   8.020   2.856
    5    HA   TYR   1           HA       TYR   1  27.902   6.162   3.622
    6   1HB   TYR   1           HB2      TYR   1  25.648   8.095   4.158
    7   2HB   TYR   1           HB1      TYR   1  26.260   6.812   5.198
    8    HD1  TYR   1           HD1      TYR   1  28.789   7.046   5.907
    9    HD2  TYR   1           HD2      TYR   1  26.421  10.286   4.498
   10    HE1  TYR   1           HE1      TYR   1  30.338   8.633   6.954
   11    HE2  TYR   1           HE2      TYR   1  27.969  11.873   5.545
   12    HH   TYR   1           HH       TYR   1  29.878  11.349   7.830
   13    H    ALA   2           HN       ALA   2  27.111   4.523   2.473
   14    HA   ALA   2           HA       ALA   2  24.345   4.583   1.541
   15   1HB   ALA   2           HB3      ALA   2  26.596   5.021  -0.321
   16   2HB   ALA   2           HB2      ALA   2  25.443   3.792  -0.829
   17   3HB   ALA   2           HB1      ALA   2  24.894   5.432  -0.502
   18    H    SER   3           HN       SER   3  23.556   2.509   1.034
   19    HA   SER   3           HA       SER   3  25.453   0.239   1.186
   20   1HB   SER   3           HB2      SER   3  24.581   0.884   3.545
   21   2HB   SER   3           HB1      SER   3  23.034   0.214   2.993
   22    HG   SER   3           HG1      SER   3  24.277  -1.460   3.826
   23    H    LEU   4           HN       LEU   4  23.362  -1.687   1.622
   24    HA   LEU   4           HA       LEU   4  22.498  -2.100  -1.067
   25   1HB   LEU   4           HB2      LEU   4  21.531  -3.271   1.547
   26   2HB   LEU   4           HB1      LEU   4  20.971  -3.827  -0.025
   27    HG   LEU   4           HG       LEU   4  23.908  -3.610   0.212
   28   1HD1  LEU   4          HD11      LEU   4  22.349  -5.678   1.803
   29   2HD1  LEU   4          HD13      LEU   4  24.091  -5.704   1.538
   30   3HD1  LEU   4          HD12      LEU   4  23.364  -4.409   2.484
   31   1HD2  LEU   4          HD23      LEU   4  22.663  -4.605  -1.719
   32   2HD2  LEU   4          HD22      LEU   4  23.776  -5.749  -0.977
   33   3HD2  LEU   4          HD21      LEU   4  22.051  -5.857  -0.642
   34    H    GLU   5           HN       GLU   5  20.846  -0.763   1.756
   35    HA   GLU   5           HA       GLU   5  18.438  -0.220   0.113
   36   1HB   GLU   5           HB2      GLU   5  18.897   0.431   3.031
   37   2HB   GLU   5           HB1      GLU   5  17.355   0.355   2.186
   38   1HG   GLU   5           HG2      GLU   5  17.246  -1.815   2.841
   39   2HG   GLU   5           HG1      GLU   5  18.527  -2.132   1.674
   40    H    GLU   6           HN       GLU   6  17.690   1.842  -0.336
   41    HA   GLU   6           HA       GLU   6  19.261   4.169   0.593
   42   1HB   GLU   6           HB2      GLU   6  20.244   3.152  -1.596
   43   2HB   GLU   6           HB1      GLU   6  18.826   3.853  -2.367
   44   1HG   GLU   6           HG2      GLU   6  19.430   6.066  -1.334
   45   2HG   GLU   6           HG1      GLU   6  20.917   5.334  -0.736
   46    H    GLN   7           HN       GLN   7  16.411   2.731  -0.560
   47    HA   GLN   7           HA       GLN   7  14.817   5.037   0.154
   48   1HB   GLN   7           HB2      GLN   7  13.835   5.293  -2.197
   49   2HB   GLN   7           HB1      GLN   7  15.443   5.963  -1.947
   50   1HG   GLN   7           HG2      GLN   7  16.470   3.967  -2.925
   51   2HG   GLN   7           HG1      GLN   7  14.893   3.194  -3.073
   52   1HE2  GLN   7          HE22      GLN   7  13.873   5.267  -5.836
   53   2HE2  GLN   7          HE21      GLN   7  13.265   4.437  -4.485
   54    H    ASN   8           HN       ASN   8  14.433   2.776   1.283
   55    HA   ASN   8           HA       ASN   8  11.982   1.666   0.008
   56   1HB   ASN   8           HB2      ASN   8  14.373   0.094   0.968
   57   2HB   ASN   8           HB1      ASN   8  12.776  -0.638   0.820
   58   1HD2  ASN   8          HD22      ASN   8  13.528  -1.320  -2.550
   59   2HD2  ASN   8          HD21      ASN   8  13.065  -1.928  -1.034
   60    H    ASN   9           HN       ASN   9  11.405   3.332   1.814
   61    HA   ASN   9           HA       ASN   9  11.711   2.588   4.564
   62   1HB   ASN   9           HB2      ASN   9   9.396   4.150   3.403
   63   2HB   ASN   9           HB1      ASN   9  10.054   4.259   5.033
   64   1HD2  ASN   9          HD22      ASN   9  11.527   6.700   2.294
   65   2HD2  ASN   9          HD21      ASN   9  10.006   5.951   2.225
   66    H    ASP  10           HN       ASP  10   8.898   2.781   5.329
   67    HA   ASP  10           HA       ASP  10   8.260  -0.074   5.137
   68   1HB   ASP  10           HB2      ASP  10   6.299   0.600   6.594
   69   2HB   ASP  10           HB1      ASP  10   7.881   0.982   7.269
   70    H    ALA  11           HN       ALA  11   7.799   2.412   3.083
   71    HA   ALA  11           HA       ALA  11   5.075   2.366   2.347
   72   1HB   ALA  11           HB3      ALA  11   7.575   3.217   1.155
   73   2HB   ALA  11           HB2      ALA  11   6.507   2.526  -0.063
   74   3HB   ALA  11           HB1      ALA  11   5.958   3.875   0.926
   75    H    LEU  12           HN       LEU  12   3.864   1.095   0.947
   76    HA   LEU  12           HA       LEU  12   4.403  -1.692   0.901
   77   1HB   LEU  12           HB2      LEU  12   2.407   0.120  -0.251
   78   2HB   LEU  12           HB1      LEU  12   2.701  -1.301  -1.243
   79    HG   LEU  12           HG       LEU  12   2.177  -1.442   1.743
   80   1HD1  LEU  12          HD12      LEU  12   0.222  -0.488   0.541
   81   2HD1  LEU  12          HD11      LEU  12   0.244  -1.860  -0.563
   82   3HD1  LEU  12          HD13      LEU  12  -0.119  -2.107   1.142
   83   1HD2  LEU  12          HD23      LEU  12   3.113  -3.326  -0.163
   84   2HD2  LEU  12          HD22      LEU  12   2.599  -3.650   1.489
   85   3HD2  LEU  12          HD21      LEU  12   1.438  -3.752   0.169
   86    H    SER  13           HN       SER  13   4.154  -2.750  -1.519
   87    HA   SER  13           HA       SER  13   6.724  -2.084  -2.778
   88   1HB   SER  13           HB2      SER  13   5.141  -4.454  -2.459
   89   2HB   SER  13           HB1      SER  13   5.419  -4.184  -4.191
   90    HG   SER  13           HG1      SER  13   7.240  -4.584  -2.117
   91    HA   PRO  14           HA       PRO  14   5.294   0.092  -6.305
   92   1HB   PRO  14           HB2      PRO  14   6.238  -1.737  -8.329
   93   2HB   PRO  14           HB1      PRO  14   6.924  -0.183  -7.851
   94   1HG   PRO  14           HG2      PRO  14   7.946  -2.828  -7.248
   95   2HG   PRO  14           HG1      PRO  14   8.640  -1.274  -6.784
   96   1HD   PRO  14           HD1      PRO  14   7.331  -3.170  -5.076
   97   2HD   PRO  14           HD2      PRO  14   7.938  -1.566  -4.634
   98    H    ALA  15           HN       ALA  15   4.558  -3.260  -5.938
   99    HA   ALA  15           HA       ALA  15   2.564  -3.411  -8.045
  100   1HB   ALA  15           HB2      ALA  15   3.824  -5.231  -6.330
  101   2HB   ALA  15           HB1      ALA  15   2.129  -5.270  -5.855
  102   3HB   ALA  15           HB3      ALA  15   2.584  -5.606  -7.522
  103    H    ILE  16           HN       ILE  16   2.640  -1.673  -5.276
  104    HA   ILE  16           HA       ILE  16   0.237  -2.034  -3.916
  105    HB   ILE  16           HB       ILE  16   2.006  -0.295  -3.428
  106   1HG1  ILE  16          HG12      ILE  16  -0.905   0.569  -3.571
  107   2HG1  ILE  16          HG11      ILE  16  -0.118  -0.243  -2.223
  108   1HG2  ILE  16          HG23      ILE  16   1.890   0.515  -5.895
  109   2HG2  ILE  16          HG22      ILE  16   0.486   1.441  -5.374
  110   3HG2  ILE  16          HG21      ILE  16   2.058   1.736  -4.637
  111   1HD1  ILE  16           HD1      ILE  16   1.524   1.781  -2.249
  112   2HD1  ILE  16           HD3      ILE  16   0.286   2.580  -3.212
  113   3HD1  ILE  16           HD2      ILE  16  -0.085   2.033  -1.580
  114    NH1  ARG  17           NH1      ARG  17  -2.051   2.220 -11.501
  115    NH2  ARG  17           NH2      ARG  17  -2.398   4.472 -11.673
  116    H    ARG  17           HN       ARG  17   0.751  -0.719  -7.109
  117    HA   ARG  17           HA       ARG  17  -1.964   0.297  -7.399
  118   1HB   ARG  17           HB2      ARG  17   0.413  -0.042  -9.171
  119   2HB   ARG  17           HB1      ARG  17  -1.162   0.109  -9.940
  120   1HG   ARG  17           HG2      ARG  17  -1.581   2.204  -8.712
  121   2HG   ARG  17           HG1      ARG  17  -0.032   2.044  -7.890
  122   1HD   ARG  17           HD2      ARG  17   1.098   2.880  -9.672
  123   2HD   ARG  17           HD1      ARG  17   0.244   1.821 -10.794
  124    HE   ARG  17           HE       ARG  17  -0.489   4.581 -10.143
  125   1HH1  ARG  17          HH11      ARG  17  -1.516   1.463 -11.127
  126   2HH1  ARG  17          HH12      ARG  17  -2.833   2.035 -12.097
  127   1HH2  ARG  17          HH21      ARG  17  -2.124   5.403 -11.430
  128   2HH2  ARG  17          HH22      ARG  17  -3.185   4.325 -12.273
  129    NH1  ARG  18           NH1      ARG  18  -2.401  -7.451 -11.115
  130    NH2  ARG  18           NH2      ARG  18  -1.867  -7.358 -13.335
  131    H    ARG  18           HN       ARG  18  -0.271  -2.681  -8.123
  132    HA   ARG  18           HA       ARG  18  -2.584  -3.811  -9.550
  133   1HB   ARG  18           HB2      ARG  18   0.032  -5.067  -8.679
  134   2HB   ARG  18           HB1      ARG  18  -1.173  -5.846  -9.699
  135   1HG   ARG  18           HG2      ARG  18  -0.696  -3.294 -10.842
  136   2HG   ARG  18           HG1      ARG  18   0.886  -3.963 -10.454
  137   1HD   ARG  18           HD2      ARG  18   0.107  -4.644 -12.730
  138   2HD   ARG  18           HD1      ARG  18   0.340  -6.030 -11.667
  139    HE   ARG  18           HE       ARG  18  -2.376  -4.847 -12.068
  140   1HH1  ARG  18          HH11      ARG  18  -2.479  -6.986 -10.234
  141   2HH1  ARG  18          HH12      ARG  18  -2.642  -8.418 -11.194
  142   1HH2  ARG  18          HH21      ARG  18  -1.545  -6.823 -14.117
  143   2HH2  ARG  18          HH22      ARG  18  -2.099  -8.323 -13.451
  144    H    LEU  19           HN       LEU  19  -1.450  -3.562  -6.352
  145    HA   LEU  19           HA       LEU  19  -2.236  -5.902  -5.076
  146   1HB   LEU  19           HB2      LEU  19  -1.292  -3.802  -4.011
  147   2HB   LEU  19           HB1      LEU  19  -2.921  -3.143  -4.036
  148    HG   LEU  19           HG       LEU  19  -3.424  -5.559  -2.911
  149   1HD1  LEU  19          HD11      LEU  19  -0.952  -6.086  -2.994
  150   2HD1  LEU  19          HD13      LEU  19  -0.690  -4.758  -1.868
  151   3HD1  LEU  19          HD12      LEU  19  -1.642  -6.154  -1.374
  152   1HD2  LEU  19          HD23      LEU  19  -2.428  -3.068  -1.487
  153   2HD2  LEU  19          HD22      LEU  19  -4.086  -3.374  -1.991
  154   3HD2  LEU  19          HD21      LEU  19  -3.354  -4.358  -0.728
  155    H    LEU  20           HN       LEU  20  -4.242  -3.504  -6.590
  156    HA   LEU  20           HA       LEU  20  -6.722  -4.569  -5.422
  157   1HB   LEU  20           HB2      LEU  20  -6.268  -2.545  -7.631
  158   2HB   LEU  20           HB1      LEU  20  -7.829  -2.920  -6.909
  159    HG   LEU  20           HG       LEU  20  -5.584  -2.188  -5.068
  160   1HD1  LEU  20          HD12      LEU  20  -6.915  -0.368  -7.051
  161   2HD1  LEU  20          HD11      LEU  20  -6.551   0.254  -5.447
  162   3HD1  LEU  20          HD13      LEU  20  -5.252  -0.352  -6.469
  163   1HD2  LEU  20          HD21      LEU  20  -7.845  -2.866  -4.256
  164   2HD2  LEU  20          HD23      LEU  20  -7.451  -1.212  -3.803
  165   3HD2  LEU  20          HD22      LEU  20  -8.547  -1.519  -5.146
  166    H    ALA  21           HN       ALA  21  -5.052  -4.610  -8.536
  167    HA   ALA  21           HA       ALA  21  -7.123  -6.236  -9.803
  168   1HB   ALA  21           HB1      ALA  21  -5.602  -4.613 -11.019
  169   2HB   ALA  21           HB3      ALA  21  -4.297  -5.769 -10.773
  170   3HB   ALA  21           HB2      ALA  21  -5.698  -6.217 -11.739
  171    H    GLU  22           HN       GLU  22  -4.591  -6.861  -7.681
  172    HA   GLU  22           HA       GLU  22  -3.951  -9.536  -8.702
  173   1HB   GLU  22           HB2      GLU  22  -2.496  -7.843  -7.243
  174   2HB   GLU  22           HB1      GLU  22  -3.264  -8.708  -5.917
  175   1HG   GLU  22           HG2      GLU  22  -2.517 -10.867  -6.941
  176   2HG   GLU  22           HG1      GLU  22  -1.670  -9.951  -8.184
  177    H    HIS  23           HN       HIS  23  -5.690  -8.168  -5.931
  178    HA   HIS  23           HA       HIS  23  -6.823 -10.868  -5.360
  179   1HB   HIS  23           HB2      HIS  23  -7.172  -8.423  -3.633
  180   2HB   HIS  23           HB1      HIS  23  -7.254 -10.118  -3.163
  181    HD1  HIS  23           HD1      HIS  23  -4.727 -11.207  -4.009
  182    HD2  HIS  23           HD2      HIS  23  -4.860  -7.391  -2.637
  183    HE1  HIS  23           HE1      HIS  23  -2.453 -10.714  -3.319
  184    H    ASN  24           HN       ASN  24  -7.593  -8.744  -7.464
  185    HA   ASN  24           HA       ASN  24  -9.568  -7.750  -8.293
  186   1HB   ASN  24           HB2      ASN  24 -11.404  -9.776  -7.373
  187   2HB   ASN  24           HB1      ASN  24 -10.770  -9.520  -8.994
  188   1HD2  ASN  24          HD22      ASN  24  -7.871 -11.694  -8.272
  189   2HD2  ASN  24          HD21      ASN  24  -8.125 -10.117  -8.848
  190    H    LEU  25           HN       LEU  25  -9.804  -5.942  -6.992
  191    HA   LEU  25           HA       LEU  25 -11.908  -6.179  -4.888
  192   1HB   LEU  25           HB2      LEU  25  -9.295  -4.666  -4.655
  193   2HB   LEU  25           HB1      LEU  25 -10.628  -4.505  -3.520
  194    HG   LEU  25           HG       LEU  25  -9.233  -7.130  -4.176
  195   1HD1  LEU  25          HD12      LEU  25  -7.776  -5.482  -2.980
  196   2HD1  LEU  25          HD11      LEU  25  -8.989  -5.379  -1.709
  197   3HD1  LEU  25          HD13      LEU  25  -8.146  -6.897  -2.001
  198   1HD2  LEU  25          HD21      LEU  25 -11.607  -6.368  -2.571
  199   2HD2  LEU  25          HD23      LEU  25 -11.179  -7.925  -3.268
  200   3HD2  LEU  25          HD22      LEU  25 -10.466  -7.418  -1.742
  201    H    ASP  26           HN       ASP  26 -13.258  -4.383  -4.706
  202    HA   ASP  26           HA       ASP  26 -13.149  -2.552  -7.039
  203   1HB   ASP  26           HB2      ASP  26 -15.425  -2.372  -5.154
  204   2HB   ASP  26           HB1      ASP  26 -15.426  -2.449  -6.912
  205    H    ALA  27           HN       ALA  27 -11.698  -0.960  -6.521
  206    HA   ALA  27           HA       ALA  27 -11.381   0.231  -3.953
  207   1HB   ALA  27           HB3      ALA  27 -10.028   0.437  -6.269
  208   2HB   ALA  27           HB2      ALA  27 -10.952   1.933  -6.355
  209   3HB   ALA  27           HB1      ALA  27  -9.885   1.635  -4.986
  210    H    SER  28           HN       SER  28 -13.839   0.557  -6.303
  211    HA   SER  28           HA       SER  28 -14.765   3.188  -5.913
  212   1HB   SER  28           HB2      SER  28 -15.737   1.598  -7.574
  213   2HB   SER  28           HB1      SER  28 -16.502   0.715  -6.239
  214    HG   SER  28           HG1      SER  28 -17.247   3.035  -7.388
  215    H    ALA  29           HN       ALA  29 -15.422   0.276  -4.009
  216    HA   ALA  29           HA       ALA  29 -17.195   1.580  -2.145
  217   1HB   ALA  29           HB1      ALA  29 -16.870  -0.953  -2.586
  218   2HB   ALA  29           HB3      ALA  29 -15.511  -0.827  -1.475
  219   3HB   ALA  29           HB2      ALA  29 -17.137  -0.438  -0.923
  220    H    ILE  30           HN       ILE  30 -13.739   1.217  -2.377
  221    HA   ILE  30           HA       ILE  30 -13.296   2.234   0.349
  222    HB   ILE  30           HB       ILE  30 -11.266   1.790  -1.856
  223   1HG1  ILE  30          HG12      ILE  30 -12.465  -0.295  -1.536
  224   2HG1  ILE  30          HG11      ILE  30 -10.902  -0.447  -0.747
  225   1HG2  ILE  30          HG21      ILE  30 -11.124   2.418   1.067
  226   2HG2  ILE  30          HG23      ILE  30  -9.939   1.286   0.436
  227   3HG2  ILE  30          HG22      ILE  30 -10.054   2.904  -0.239
  228   1HD1  ILE  30           HD2      ILE  30 -12.176   0.385   1.390
  229   2HD1  ILE  30           HD1      ILE  30 -13.624  -0.077   0.507
  230   3HD1  ILE  30           HD3      ILE  30 -12.396  -1.279   0.877
  231    H    LYS  31           HN       LYS  31 -11.471   4.040   0.390
  232    HA   LYS  31           HA       LYS  31 -12.050   6.126  -1.647
  233   1HB   LYS  31           HB2      LYS  31 -12.931   6.143   1.138
  234   2HB   LYS  31           HB1      LYS  31 -11.967   7.558   0.731
  235   1HG   LYS  31           HG2      LYS  31 -13.411   7.997  -1.221
  236   2HG   LYS  31           HG1      LYS  31 -14.362   6.563  -0.849
  237   1HD   LYS  31           HD2      LYS  31 -15.350   7.533   1.018
  238   2HD   LYS  31           HD1      LYS  31 -13.987   8.609   1.308
  239   1HE   LYS  31           HE2      LYS  31 -14.674  10.136  -0.330
  240   2HE   LYS  31           HE1      LYS  31 -15.607   8.928  -1.205
  241   1HZ   LYS  31           HZ2      LYS  31 -16.581   9.282   1.444
  242   2HZ   LYS  31           HZ1      LYS  31 -16.570  10.750   0.592
  243   3HZ   LYS  31           HZ3      LYS  31 -17.404   9.411  -0.036
  244    H    GLY  32           HN       GLY  32 -10.387   7.594  -1.956
  245   1HA   GLY  32           HA2      GLY  32  -7.893   7.112  -0.364
  246   2HA   GLY  32           HA1      GLY  32  -7.851   7.280  -2.116
  247    H    THR  33           HN       THR  33  -8.132   8.933   0.913
  248    HA   THR  33           HA       THR  33  -8.640  11.548  -0.315
  249    HB   THR  33           HB       THR  33  -8.234  12.355   2.097
  250    HG1  THR  33           HG1      THR  33  -7.756   9.568   2.158
  251   1HG2  THR  33          HG21      THR  33 -10.229  10.163   1.454
  252   2HG2  THR  33          HG23      THR  33 -10.170  10.902   3.051
  253   3HG2  THR  33          HG22      THR  33 -10.544  11.886   1.639
  254    H    GLY  34           HN       GLY  34  -6.061  10.652   1.949
  255   1HA   GLY  34           HA2      GLY  34  -3.830  11.409   2.028
  256   2HA   GLY  34           HA1      GLY  34  -3.814  10.919   0.335
  257    H    VAL  35           HN       VAL  35  -2.216  12.822   0.446
  258    HA   VAL  35           HA       VAL  35  -3.515  15.470   0.433
  259    HB   VAL  35           HB       VAL  35  -0.638  14.793  -0.221
  260   1HG1  VAL  35          HG12      VAL  35  -2.079  17.312   0.677
  261   2HG1  VAL  35          HG11      VAL  35  -0.327  17.161   0.593
  262   3HG1  VAL  35          HG13      VAL  35  -1.293  17.045  -0.875
  263   1HG2  VAL  35          HG23      VAL  35  -1.918  15.469   2.452
  264   2HG2  VAL  35          HG22      VAL  35  -1.253  13.901   2.005
  265   3HG2  VAL  35          HG21      VAL  35  -0.189  15.295   2.166
  266    H    GLY  36           HN       GLY  36  -4.854  14.526  -1.456
  267   1HA   GLY  36           HA2      GLY  36  -4.635  15.861  -3.771
  268   2HA   GLY  36           HA1      GLY  36  -3.410  14.623  -4.038
  269    H    GLY  37           HN       GLY  37  -4.492  12.379  -3.042
  270   1HA   GLY  37           HA2      GLY  37  -7.002  11.507  -3.176
  271   2HA   GLY  37           HA1      GLY  37  -6.790  11.944  -4.869
  272    NH1  ARG  38           NH1      ARG  38  -1.359   7.461  -6.328
  273    NH2  ARG  38           NH2      ARG  38   0.605   8.375  -7.058
  274    H    ARG  38           HN       ARG  38  -4.324  10.587  -2.752
  275    HA   ARG  38           HA       ARG  38  -4.024   8.338  -4.665
  276   1HB   ARG  38           HB2      ARG  38  -2.270   9.232  -2.362
  277   2HB   ARG  38           HB1      ARG  38  -1.884   7.932  -3.484
  278   1HG   ARG  38           HG2      ARG  38  -2.237   9.698  -5.348
  279   2HG   ARG  38           HG1      ARG  38  -2.128  10.890  -4.056
  280   1HD   ARG  38           HD2      ARG  38   0.096  10.530  -5.046
  281   2HD   ARG  38           HD1      ARG  38   0.077   9.924  -3.391
  282    HE   ARG  38           HE       ARG  38   0.528   7.799  -4.287
  283   1HH1  ARG  38          HH11      ARG  38  -1.977   7.254  -5.571
  284   2HH1  ARG  38          HH12      ARG  38  -1.602   7.190  -7.260
  285   1HH2  ARG  38          HH21      ARG  38   1.457   8.854  -6.848
  286   2HH2  ARG  38          HH22      ARG  38   0.394   8.121  -8.003
  287    H    LEU  39           HN       LEU  39  -4.018   6.170  -3.991
  288    HA   LEU  39           HA       LEU  39  -5.740   5.657  -1.652
  289   1HB   LEU  39           HB2      LEU  39  -6.141   4.517  -3.842
  290   2HB   LEU  39           HB1      LEU  39  -4.584   3.718  -3.677
  291    HG   LEU  39           HG       LEU  39  -5.359   2.693  -1.534
  292   1HD1  LEU  39          HD11      LEU  39  -7.745   4.391  -2.161
  293   2HD1  LEU  39          HD13      LEU  39  -8.037   2.816  -1.433
  294   3HD1  LEU  39          HD12      LEU  39  -7.034   3.998  -0.600
  295   1HD2  LEU  39          HD22      LEU  39  -5.619   1.485  -3.683
  296   2HD2  LEU  39          HD21      LEU  39  -6.933   1.097  -2.579
  297   3HD2  LEU  39          HD23      LEU  39  -7.201   2.224  -3.905
  298    H    THR  40           HN       THR  40  -4.710   5.594   0.260
  299    HA   THR  40           HA       THR  40  -1.925   4.697   0.459
  300    HB   THR  40           HB       THR  40  -1.968   5.633   2.611
  301    HG1  THR  40           HG1      THR  40  -3.471   4.072   3.332
  302   1HG2  THR  40          HG22      THR  40  -3.121   7.275   0.920
  303   2HG2  THR  40          HG21      THR  40  -4.616   6.788   1.712
  304   3HG2  THR  40          HG23      THR  40  -3.346   7.579   2.639
  305    NH1  ARG  41           NH1      ARG  41   2.013  -1.986   5.823
  306    NH2  ARG  41           NH2      ARG  41   1.583  -0.306   7.310
  307    H    ARG  41           HN       ARG  41  -1.634   3.257   2.626
  308    HA   ARG  41           HA       ARG  41  -2.817   0.669   1.895
  309   1HB   ARG  41           HB2      ARG  41  -0.414   0.904   2.530
  310   2HB   ARG  41           HB1      ARG  41  -0.919   1.352   4.156
  311   1HG   ARG  41           HG2      ARG  41  -2.082  -0.821   4.396
  312   2HG   ARG  41           HG1      ARG  41  -1.587  -1.267   2.767
  313   1HD   ARG  41           HD2      ARG  41   0.032  -2.277   4.206
  314   2HD   ARG  41           HD1      ARG  41   0.829  -0.840   3.568
  315    HE   ARG  41           HE       ARG  41  -0.483  -0.108   5.983
  316   1HH1  ARG  41          HH11      ARG  41   1.749  -2.493   5.002
  317   2HH1  ARG  41          HH12      ARG  41   2.842  -2.242   6.322
  318   1HH2  ARG  41          HH21      ARG  41   0.995   0.449   7.603
  319   2HH2  ARG  41          HH22      ARG  41   2.405  -0.532   7.833
  320    H    GLU  42           HN       GLU  42  -3.117   3.057   4.432
  321    HA   GLU  42           HA       GLU  42  -4.669   1.360   6.212
  322   1HB   GLU  42           HB2      GLU  42  -4.267   4.354   6.073
  323   2HB   GLU  42           HB1      GLU  42  -5.212   3.564   7.330
  324   1HG   GLU  42           HG2      GLU  42  -3.346   2.887   8.427
  325   2HG   GLU  42           HG1      GLU  42  -2.620   2.268   6.945
  326    H    ASP  43           HN       ASP  43  -5.605   1.476   3.455
  327    HA   ASP  43           HA       ASP  43  -8.376   2.476   3.974
  328   1HB   ASP  43           HB2      ASP  43  -6.652   2.841   1.528
  329   2HB   ASP  43           HB1      ASP  43  -8.408   2.923   1.430
  330    H    VAL  44           HN       VAL  44  -6.304   0.233   2.218
  331    HA   VAL  44           HA       VAL  44  -8.670  -1.420   1.513
  332    HB   VAL  44           HB       VAL  44  -5.849  -2.138   0.787
  333   1HG1  VAL  44          HG11      VAL  44  -8.122  -3.414   0.287
  334   2HG1  VAL  44          HG13      VAL  44  -8.259  -2.221  -1.001
  335   3HG1  VAL  44          HG12      VAL  44  -6.874  -3.308  -0.950
  336   1HG2  VAL  44          HG23      VAL  44  -7.554   0.044  -0.455
  337   2HG2  VAL  44          HG22      VAL  44  -5.949   0.226   0.246
  338   3HG2  VAL  44          HG21      VAL  44  -6.159  -0.675  -1.252
  339    H    GLU  45           HN       GLU  45  -6.244  -1.193   3.871
  340    HA   GLU  45           HA       GLU  45  -5.692  -3.893   4.500
  341   1HB   GLU  45           HB2      GLU  45  -4.485  -2.140   5.621
  342   2HB   GLU  45           HB1      GLU  45  -5.969  -1.473   6.292
  343   1HG   GLU  45           HG2      GLU  45  -6.229  -3.251   7.814
  344   2HG   GLU  45           HG1      GLU  45  -5.206  -4.332   6.870
  345    H    LYS  46           HN       LYS  46  -8.149  -1.823   6.042
  346    HA   LYS  46           HA       LYS  46  -9.468  -4.116   7.257
  347   1HB   LYS  46           HB2      LYS  46  -9.409  -1.508   7.902
  348   2HB   LYS  46           HB1      LYS  46 -10.908  -1.527   6.979
  349   1HG   LYS  46           HG2      LYS  46 -11.713  -3.429   8.382
  350   2HG   LYS  46           HG1      LYS  46 -10.239  -3.319   9.338
  351   1HD   LYS  46           HD2      LYS  46 -10.852  -0.863   9.741
  352   2HD   LYS  46           HD1      LYS  46 -12.432  -1.249   9.071
  353   1HE   LYS  46           HE2      LYS  46 -12.415  -1.448  11.550
  354   2HE   LYS  46           HE1      LYS  46 -12.757  -2.990  10.776
  355   1HZ   LYS  46           HZ2      LYS  46  -9.957  -2.439  11.258
  356   2HZ   LYS  46           HZ1      LYS  46 -10.904  -2.645  12.652
  357   3HZ   LYS  46           HZ3      LYS  46 -10.841  -3.871  11.479
  358    H    HIS  47           HN       HIS  47  -9.255  -4.454   4.475
  359    HA   HIS  47           HA       HIS  47 -12.137  -4.650   3.792
  360   1HB   HIS  47           HB2      HIS  47 -11.465  -2.591   2.702
  361   2HB   HIS  47           HB1      HIS  47 -10.038  -3.369   2.025
  362    HD1  HIS  47           HD1      HIS  47 -13.558  -2.961   1.403
  363    HD2  HIS  47           HD2      HIS  47 -10.607  -5.370   0.009
  364    HE1  HIS  47           HE1      HIS  47 -14.463  -3.948  -0.621
  365    H    LEU  48           HN       LEU  48  -8.805  -5.532   3.086
  366    HA   LEU  48           HA       LEU  48  -9.160  -7.504   1.134
  367   1HB   LEU  48           HB2      LEU  48  -7.228  -7.164   3.392
  368   2HB   LEU  48           HB1      LEU  48  -7.223  -8.686   2.509
  369    HG   LEU  48           HG       LEU  48  -7.262  -6.132   0.937
  370   1HD1  LEU  48          HD11      LEU  48  -5.002  -7.174   2.613
  371   2HD1  LEU  48          HD13      LEU  48  -4.628  -6.495   1.031
  372   3HD1  LEU  48          HD12      LEU  48  -5.438  -5.509   2.245
  373   1HD2  LEU  48          HD21      LEU  48  -7.376  -8.590   0.063
  374   2HD2  LEU  48          HD23      LEU  48  -6.264  -7.478  -0.728
  375   3HD2  LEU  48          HD22      LEU  48  -5.660  -8.643   0.448
  376    H    ALA  49           HN       ALA  49 -10.729  -9.003   1.167
  377    HA   ALA  49           HA       ALA  49 -11.911 -10.103   3.523
  378   1HB   ALA  49           HB2      ALA  49 -11.854 -10.963   0.636
  379   2HB   ALA  49           HB1      ALA  49 -12.662 -11.941   1.857
  380   3HB   ALA  49           HB3      ALA  49 -13.197 -10.291   1.554
  381    H    LYS  50           HN       LYS  50 -11.465 -11.907   4.710
  382    HA   LYS  50           HA       LYS  50  -8.884 -12.879   5.028
  383   1HB   LYS  50           HB2      LYS  50 -11.246 -13.417   6.231
  384   2HB   LYS  50           HB1      LYS  50 -11.016 -14.917   5.341
  385   1HG   LYS  50           HG2      LYS  50  -8.660 -15.000   6.292
  386   2HG   LYS  50           HG1      LYS  50  -9.112 -13.657   7.336
  387   1HD   LYS  50           HD2      LYS  50 -10.917 -14.980   8.324
  388   2HD   LYS  50           HD1      LYS  50 -10.593 -16.305   7.211
  389   1HE   LYS  50           HE2      LYS  50  -9.575 -16.460   9.593
  390   2HE   LYS  50           HE1      LYS  50  -8.520 -16.814   8.231
  391   1HZ   LYS  50           HZ3      LYS  50  -8.690 -14.062   9.234
  392   2HZ   LYS  50           HZ2      LYS  50  -7.758 -15.199  10.084
  393   3HZ   LYS  50           HZ1      LYS  50  -7.401 -14.852   8.460
  394    H    ALA  51           HN       ALA  51 -11.389 -14.167   2.882
  395    HA   ALA  51           HA       ALA  51  -9.424 -15.134   0.992
  396   1HB   ALA  51           HB1      ALA  51 -10.270 -16.917   3.132
  397   2HB   ALA  51           HB3      ALA  51 -10.653 -17.578   1.546
  398   3HB   ALA  51           HB2      ALA  51  -8.995 -17.136   1.939
   
 Raw file had 398 H/Q atoms
  Start of MODEL   32
    1    OH   TYR   1           OH       TYR   1  34.274  -0.244  -2.938
    2   1H    TYR   1           HT2      TYR   1  27.632   0.944  -3.623
    3   2H    TYR   1           HT1      TYR   1  29.317   0.740  -3.553
    4   3H    TYR   1           HT3      TYR   1  28.659   2.278  -3.846
    5    HA   TYR   1           HA       TYR   1  29.050   1.817  -5.982
    6   1HB   TYR   1           HB2      TYR   1  28.761  -1.150  -5.472
    7   2HB   TYR   1           HB1      TYR   1  29.543  -0.362  -6.840
    8    HD1  TYR   1           HD2      TYR   1  31.508   1.305  -6.169
    9    HD2  TYR   1           HD1      TYR   1  30.114  -1.863  -3.696
   10    HE1  TYR   1           HE2      TYR   1  33.632   1.327  -4.945
   11    HE2  TYR   1           HE1      TYR   1  32.238  -1.840  -2.472
   12    HH   TYR   1           HH       TYR   1  34.982  -0.122  -3.575
   13    H    ALA   2           HN       ALA   2  27.618   1.813  -7.678
   14    HA   ALA   2           HA       ALA   2  25.054   0.372  -7.400
   15   1HB   ALA   2           HB2      ALA   2  24.841   2.637  -6.248
   16   2HB   ALA   2           HB1      ALA   2  25.046   3.362  -7.839
   17   3HB   ALA   2           HB3      ALA   2  23.666   2.315  -7.519
   18    H    SER   3           HN       SER   3  23.617   1.102  -9.406
   19    HA   SER   3           HA       SER   3  25.257   1.687 -11.787
   20   1HB   SER   3           HB2      SER   3  23.940  -0.998 -11.304
   21   2HB   SER   3           HB1      SER   3  24.398  -0.435 -12.923
   22    HG   SER   3           HG1      SER   3  26.282  -1.200 -12.305
   23    H    LEU   4           HN       LEU   4  22.600  -0.105 -12.656
   24    HA   LEU   4           HA       LEU   4  21.208   1.866 -14.002
   25   1HB   LEU   4           HB2      LEU   4  20.779  -0.755 -13.674
   26   2HB   LEU   4           HB1      LEU   4  19.566  -0.169 -12.547
   27    HG   LEU   4           HG       LEU   4  18.522  -0.443 -14.727
   28   1HD1  LEU   4          HD12      LEU   4  17.925   1.566 -13.315
   29   2HD1  LEU   4          HD11      LEU   4  19.015   2.526 -14.307
   30   3HD1  LEU   4          HD13      LEU   4  17.603   1.773 -15.032
   31   1HD2  LEU   4          HD22      LEU   4  21.036   0.305 -15.731
   32   2HD2  LEU   4          HD21      LEU   4  19.592  -0.029 -16.677
   33   3HD2  LEU   4          HD23      LEU   4  19.966   1.622 -16.200
   34    H    GLU   5           HN       GLU   5  20.521   3.778 -13.270
   35    HA   GLU   5           HA       GLU   5  20.150   4.597 -10.636
   36   1HB   GLU   5           HB2      GLU   5  18.426   5.517 -12.948
   37   2HB   GLU   5           HB1      GLU   5  18.821   6.427 -11.495
   38   1HG   GLU   5           HG2      GLU   5  21.322   5.905 -12.301
   39   2HG   GLU   5           HG1      GLU   5  20.530   5.818 -13.873
   40    H    GLU   6           HN       GLU   6  19.121   3.118  -9.316
   41    HA   GLU   6           HA       GLU   6  16.384   2.242 -10.030
   42   1HB   GLU   6           HB2      GLU   6  18.397   0.909  -8.812
   43   2HB   GLU   6           HB1      GLU   6  17.545   1.521  -7.398
   44   1HG   GLU   6           HG2      GLU   6  15.405   0.611  -8.385
   45   2HG   GLU   6           HG1      GLU   6  16.372  -0.143  -9.651
   46    H    GLN   7           HN       GLN   7  14.612   3.208  -9.255
   47    HA   GLN   7           HA       GLN   7  14.585   5.635  -7.870
   48   1HB   GLN   7           HB2      GLN   7  12.614   3.500  -8.402
   49   2HB   GLN   7           HB1      GLN   7  12.232   4.540  -7.036
   50   1HG   GLN   7           HG2      GLN   7  12.246   6.502  -8.381
   51   2HG   GLN   7           HG1      GLN   7  13.092   5.690  -9.697
   52   1HE2  GLN   7          HE22      GLN   7   9.400   5.897 -10.461
   53   2HE2  GLN   7          HE21      GLN   7  10.561   7.059 -10.034
   54    H    ASN   8           HN       ASN   8  13.628   5.992  -5.635
   55    HA   ASN   8           HA       ASN   8  15.310   4.598  -3.701
   56   1HB   ASN   8           HB2      ASN   8  14.653   7.075  -3.641
   57   2HB   ASN   8           HB1      ASN   8  13.079   6.533  -3.061
   58   1HD2  ASN   8          HD22      ASN   8  15.535   7.146  -0.202
   59   2HD2  ASN   8          HD21      ASN   8  15.152   8.082  -1.565
   60    H    ASN   9           HN       ASN   9  11.829   5.267  -3.481
   61    HA   ASN   9           HA       ASN   9  10.085   3.934  -2.639
   62   1HB   ASN   9           HB2      ASN   9  11.370   2.499  -4.641
   63   2HB   ASN   9           HB1      ASN   9  11.295   1.358  -3.299
   64   1HD2  ASN   9          HD22      ASN   9   7.596   1.803  -3.150
   65   2HD2  ASN   9          HD21      ASN   9   8.885   2.042  -2.071
   66    H    ASP  10           HN       ASP  10  10.121   4.062  -0.458
   67    HA   ASP  10           HA       ASP  10  11.684   1.976   0.992
   68   1HB   ASP  10           HB2      ASP  10  11.324   4.768   2.070
   69   2HB   ASP  10           HB1      ASP  10  12.424   3.516   2.643
   70    H    ALA  11           HN       ALA  11   8.839   3.874   0.681
   71    HA   ALA  11           HA       ALA  11   7.617   2.480   3.031
   72   1HB   ALA  11           HB3      ALA  11   6.852   5.092   1.702
   73   2HB   ALA  11           HB2      ALA  11   5.959   4.340   3.020
   74   3HB   ALA  11           HB1      ALA  11   7.606   4.908   3.283
   75    H    LEU  12           HN       LEU  12   5.955   4.154   0.431
   76    HA   LEU  12           HA       LEU  12   3.935   2.271   0.037
   77   1HB   LEU  12           HB2      LEU  12   5.258   4.104  -1.977
   78   2HB   LEU  12           HB1      LEU  12   3.788   3.196  -2.316
   79    HG   LEU  12           HG       LEU  12   3.832   4.782   0.210
   80   1HD1  LEU  12          HD13      LEU  12   3.902   5.946  -2.569
   81   2HD1  LEU  12          HD12      LEU  12   2.979   6.748  -1.303
   82   3HD1  LEU  12          HD11      LEU  12   4.714   6.516  -1.114
   83   1HD2  LEU  12          HD22      LEU  12   1.929   3.319  -0.799
   84   2HD2  LEU  12          HD21      LEU  12   1.503   4.920  -0.203
   85   3HD2  LEU  12          HD23      LEU  12   1.706   4.650  -1.931
   86    H    SER  13           HN       SER  13   3.657   0.453  -1.254
   87    HA   SER  13           HA       SER  13   6.172  -0.871  -2.038
   88   1HB   SER  13           HB2      SER  13   3.385  -2.050  -1.974
   89   2HB   SER  13           HB1      SER  13   4.922  -2.935  -2.003
   90    HG   SER  13           HG1      SER  13   3.825  -1.317   0.027
   91    HA   PRO  14           HA       PRO  14   5.385   0.048  -6.363
   92   1HB   PRO  14           HB2      PRO  14   6.705  -2.276  -7.355
   93   2HB   PRO  14           HB1      PRO  14   7.351  -0.638  -7.255
   94   1HG   PRO  14           HG2      PRO  14   8.007  -2.947  -5.587
   95   2HG   PRO  14           HG1      PRO  14   8.779  -1.361  -5.609
   96   1HD   PRO  14           HD1      PRO  14   7.048  -2.393  -3.582
   97   2HD   PRO  14           HD2      PRO  14   7.685  -0.741  -3.711
   98    H    ALA  15           HN       ALA  15   4.684  -2.995  -4.861
   99    HA   ALA  15           HA       ALA  15   3.077  -4.012  -7.090
  100   1HB   ALA  15           HB3      ALA  15   4.098  -5.021  -4.566
  101   2HB   ALA  15           HB2      ALA  15   2.404  -5.449  -4.785
  102   3HB   ALA  15           HB1      ALA  15   3.593  -5.913  -5.998
  103    H    ILE  16           HN       ILE  16   2.579  -1.874  -4.486
  104    HA   ILE  16           HA       ILE  16  -0.037  -2.275  -3.648
  105    HB   ILE  16           HB       ILE  16   1.458  -0.374  -2.955
  106   1HG1  ILE  16          HG12      ILE  16  -1.341   0.357  -3.885
  107   2HG1  ILE  16          HG11      ILE  16  -0.941  -0.407  -2.351
  108   1HG2  ILE  16          HG21      ILE  16   1.878   0.192  -5.469
  109   2HG2  ILE  16          HG23      ILE  16   0.372   1.096  -5.350
  110   3HG2  ILE  16          HG22      ILE  16   1.737   1.522  -4.323
  111   1HD1  ILE  16           HD2      ILE  16   0.576   1.611  -1.901
  112   2HD1  ILE  16           HD1      ILE  16  -0.201   2.379  -3.282
  113   3HD1  ILE  16           HD3      ILE  16  -1.155   1.932  -1.872
  114    NH1  ARG  17           NH1      ARG  17   2.448   2.682  -7.060
  115    NH2  ARG  17           NH2      ARG  17   4.475   2.243  -8.018
  116    H    ARG  17           HN       ARG  17   1.066  -1.405  -6.804
  117    HA   ARG  17           HA       ARG  17  -1.494  -0.424  -7.775
  118   1HB   ARG  17           HB2      ARG  17   0.948  -1.429  -9.259
  119   2HB   ARG  17           HB1      ARG  17  -0.427  -0.631 -10.015
  120   1HG   ARG  17           HG2      ARG  17   0.039   1.431  -8.978
  121   2HG   ARG  17           HG1      ARG  17   0.999   0.683  -7.707
  122   1HD   ARG  17           HD2      ARG  17   2.747   0.103  -9.360
  123   2HD   ARG  17           HD1      ARG  17   1.784   0.838 -10.640
  124    HE   ARG  17           HE       ARG  17   2.535   2.945  -9.890
  125   1HH1  ARG  17          HH11      ARG  17   1.457   2.777  -7.158
  126   2HH1  ARG  17          HH12      ARG  17   2.878   2.819  -6.167
  127   1HH2  ARG  17          HH21      ARG  17   5.003   2.011  -8.834
  128   2HH2  ARG  17          HH22      ARG  17   4.939   2.373  -7.142
  129    NH1  ARG  18           NH1      ARG  18   3.936  -7.394 -11.428
  130    NH2  ARG  18           NH2      ARG  18   3.124  -8.954  -9.968
  131    H    ARG  18           HN       ARG  18   0.347  -3.355  -8.628
  132    HA   ARG  18           HA       ARG  18  -1.919  -4.657  -9.830
  133   1HB   ARG  18           HB2      ARG  18   0.725  -5.703  -8.805
  134   2HB   ARG  18           HB1      ARG  18  -0.461  -6.728  -9.606
  135   1HG   ARG  18           HG2      ARG  18  -0.267  -5.563 -11.651
  136   2HG   ARG  18           HG1      ARG  18   0.452  -4.151 -10.883
  137   1HD   ARG  18           HD2      ARG  18   1.980  -5.877 -12.198
  138   2HD   ARG  18           HD1      ARG  18   2.552  -5.160 -10.692
  139    HE   ARG  18           HE       ARG  18   1.130  -7.530 -10.035
  140   1HH1  ARG  18          HH11      ARG  18   3.804  -6.538 -11.928
  141   2HH1  ARG  18          HH12      ARG  18   4.788  -7.906 -11.531
  142   1HH2  ARG  18          HH21      ARG  18   2.383  -9.266  -9.375
  143   2HH2  ARG  18          HH22      ARG  18   3.963  -9.492 -10.047
  144    H    LEU  19           HN       LEU  19  -1.065  -4.132  -6.597
  145    HA   LEU  19           HA       LEU  19  -2.024  -6.497  -5.336
  146   1HB   LEU  19           HB2      LEU  19  -0.835  -4.369  -4.353
  147   2HB   LEU  19           HB1      LEU  19  -2.481  -3.798  -4.111
  148    HG   LEU  19           HG       LEU  19  -2.792  -6.265  -3.116
  149   1HD1  LEU  19          HD13      LEU  19  -0.407  -6.849  -3.668
  150   2HD1  LEU  19          HD12      LEU  19   0.116  -5.613  -2.529
  151   3HD1  LEU  19          HD11      LEU  19  -0.782  -7.015  -1.955
  152   1HD2  LEU  19          HD23      LEU  19  -1.556  -3.865  -1.731
  153   2HD2  LEU  19          HD22      LEU  19  -3.266  -4.275  -1.829
  154   3HD2  LEU  19          HD21      LEU  19  -2.177  -5.265  -0.862
  155    H    LEU  20           HN       LEU  20  -3.685  -3.926  -6.915
  156    HA   LEU  20           HA       LEU  20  -6.257  -4.361  -5.625
  157   1HB   LEU  20           HB2      LEU  20  -5.458  -2.937  -8.170
  158   2HB   LEU  20           HB1      LEU  20  -7.112  -2.988  -7.572
  159    HG   LEU  20           HG       LEU  20  -5.020  -2.190  -5.607
  160   1HD1  LEU  20          HD13      LEU  20  -5.826  -0.542  -8.014
  161   2HD1  LEU  20          HD12      LEU  20  -5.270   0.211  -6.523
  162   3HD1  LEU  20          HD11      LEU  20  -4.201  -0.868  -7.416
  163   1HD2  LEU  20          HD22      LEU  20  -7.517  -2.332  -5.176
  164   2HD2  LEU  20          HD21      LEU  20  -6.806  -0.761  -4.815
  165   3HD2  LEU  20          HD23      LEU  20  -7.720  -0.994  -6.302
  166    H    ALA  21           HN       ALA  21  -5.014  -5.097  -8.882
  167    HA   ALA  21           HA       ALA  21  -7.286  -6.712  -9.611
  168   1HB   ALA  21           HB1      ALA  21  -4.884  -5.794 -10.848
  169   2HB   ALA  21           HB3      ALA  21  -4.969  -7.539 -11.063
  170   3HB   ALA  21           HB2      ALA  21  -6.293  -6.518 -11.617
  171    H    GLU  22           HN       GLU  22  -4.051  -7.495  -8.395
  172    HA   GLU  22           HA       GLU  22  -4.043 -10.263  -8.533
  173   1HB   GLU  22           HB2      GLU  22  -2.310  -8.675  -7.468
  174   2HB   GLU  22           HB1      GLU  22  -3.246  -8.855  -5.989
  175   1HG   GLU  22           HG2      GLU  22  -1.844 -10.660  -5.691
  176   2HG   GLU  22           HG1      GLU  22  -3.045 -11.459  -6.703
  177    H    HIS  23           HN       HIS  23  -6.137  -8.261  -6.681
  178    HA   HIS  23           HA       HIS  23  -7.450 -10.704  -5.573
  179   1HB   HIS  23           HB2      HIS  23  -7.228  -8.137  -4.001
  180   2HB   HIS  23           HB1      HIS  23  -7.694  -9.735  -3.420
  181    HD1  HIS  23           HD1      HIS  23  -5.515 -11.440  -4.200
  182    HD2  HIS  23           HD2      HIS  23  -4.711  -7.616  -3.103
  183    HE1  HIS  23           HE1      HIS  23  -3.174 -11.454  -3.561
  184    H    ASN  24           HN       ASN  24  -7.724  -8.064  -7.490
  185    HA   ASN  24           HA       ASN  24  -9.551  -6.823  -8.308
  186   1HB   ASN  24           HB2      ASN  24 -11.254  -9.133  -7.381
  187   2HB   ASN  24           HB1      ASN  24 -11.466  -8.119  -8.806
  188   1HD2  ASN  24          HD22      ASN  24  -8.988  -9.856 -10.728
  189   2HD2  ASN  24          HD21      ASN  24  -9.766  -8.357 -10.547
  190    H    LEU  25           HN       LEU  25  -9.662  -5.115  -6.878
  191    HA   LEU  25           HA       LEU  25 -11.776  -5.346  -4.780
  192   1HB   LEU  25           HB2      LEU  25  -9.063  -4.033  -4.472
  193   2HB   LEU  25           HB1      LEU  25 -10.372  -3.877  -3.309
  194    HG   LEU  25           HG       LEU  25  -9.151  -6.524  -4.185
  195   1HD1  LEU  25          HD12      LEU  25  -7.642  -4.973  -2.840
  196   2HD1  LEU  25          HD11      LEU  25  -8.818  -5.093  -1.535
  197   3HD1  LEU  25          HD13      LEU  25  -7.969  -6.532  -2.089
  198   1HD2  LEU  25          HD21      LEU  25 -11.459  -5.743  -2.490
  199   2HD2  LEU  25          HD23      LEU  25 -11.152  -7.253  -3.337
  200   3HD2  LEU  25          HD22      LEU  25 -10.389  -6.946  -1.781
  201    H    ASP  26           HN       ASP  26 -13.328  -3.930  -5.234
  202    HA   ASP  26           HA       ASP  26 -12.900  -1.741  -7.099
  203   1HB   ASP  26           HB2      ASP  26 -15.303  -2.125  -5.307
  204   2HB   ASP  26           HB1      ASP  26 -15.240  -1.317  -6.871
  205    H    ALA  27           HN       ALA  27 -11.263  -0.514  -6.025
  206    HA   ALA  27           HA       ALA  27 -11.414   0.526  -3.402
  207   1HB   ALA  27           HB2      ALA  27 -10.083   1.407  -5.932
  208   2HB   ALA  27           HB1      ALA  27 -10.117   2.523  -4.571
  209   3HB   ALA  27           HB3      ALA  27  -9.362   0.942  -4.395
  210    H    SER  28           HN       SER  28 -13.517   1.040  -5.934
  211    HA   SER  28           HA       SER  28 -14.185   3.822  -5.458
  212   1HB   SER  28           HB2      SER  28 -16.244   3.251  -6.810
  213   2HB   SER  28           HB1      SER  28 -14.734   2.768  -7.609
  214    HG   SER  28           HG1      SER  28 -15.657   0.945  -5.788
  215    H    ALA  29           HN       ALA  29 -15.185   0.764  -4.116
  216    HA   ALA  29           HA       ALA  29 -17.435   2.003  -2.658
  217   1HB   ALA  29           HB3      ALA  29 -17.488  -0.354  -3.634
  218   2HB   ALA  29           HB2      ALA  29 -16.384  -0.814  -2.341
  219   3HB   ALA  29           HB1      ALA  29 -17.993  -0.211  -1.953
  220    H    ILE  30           HN       ILE  30 -14.149   0.991  -2.117
  221    HA   ILE  30           HA       ILE  30 -14.308   1.066   0.788
  222    HB   ILE  30           HB       ILE  30 -11.863   1.300  -0.990
  223   1HG1  ILE  30          HG12      ILE  30 -13.073  -0.728  -1.578
  224   2HG1  ILE  30          HG11      ILE  30 -11.673  -1.182  -0.619
  225   1HG2  ILE  30          HG21      ILE  30 -12.279   1.231   1.904
  226   2HG2  ILE  30          HG23      ILE  30 -11.218  -0.064   1.364
  227   3HG2  ILE  30          HG22      ILE  30 -10.821   1.609   0.995
  228   1HD1  ILE  30           HD3      ILE  30 -13.362  -0.992   1.412
  229   2HD1  ILE  30           HD2      ILE  30 -14.582  -1.179   0.160
  230   3HD1  ILE  30           HD1      ILE  30 -13.373  -2.434   0.404
  231    H    LYS  31           HN       LYS  31 -13.885   2.733   2.152
  232    HA   LYS  31           HA       LYS  31 -14.149   5.421   1.187
  233   1HB   LYS  31           HB2      LYS  31 -13.299   5.931   3.610
  234   2HB   LYS  31           HB1      LYS  31 -14.857   5.139   3.398
  235   1HG   LYS  31           HG2      LYS  31 -14.006   3.025   3.995
  236   2HG   LYS  31           HG1      LYS  31 -12.344   3.494   3.651
  237   1HD   LYS  31           HD2      LYS  31 -12.211   4.843   5.616
  238   2HD   LYS  31           HD1      LYS  31 -13.955   4.808   5.850
  239   1HE   LYS  31           HE2      LYS  31 -12.286   2.285   5.896
  240   2HE   LYS  31           HE1      LYS  31 -12.559   3.243   7.345
  241   1HZ   LYS  31           HZ2      LYS  31 -14.903   2.562   5.762
  242   2HZ   LYS  31           HZ1      LYS  31 -14.156   1.291   6.607
  243   3HZ   LYS  31           HZ3      LYS  31 -14.715   2.657   7.447
  244    H    GLY  32           HN       GLY  32 -12.670   6.846   0.510
  245   1HA   GLY  32           HA2      GLY  32  -9.774   6.225   0.973
  246   2HA   GLY  32           HA1      GLY  32 -10.360   6.783  -0.590
  247    H    THR  33           HN       THR  33 -10.368   7.721   2.842
  248    HA   THR  33           HA       THR  33 -10.926  10.490   2.361
  249    HB   THR  33           HB       THR  33  -9.683  10.624   4.744
  250    HG1  THR  33           HG1      THR  33  -8.811   8.649   4.857
  251   1HG2  THR  33          HG21      THR  33 -12.338   9.472   3.956
  252   2HG2  THR  33          HG23      THR  33 -11.812   9.219   5.618
  253   3HG2  THR  33          HG22      THR  33 -11.997  10.854   4.992
  254    H    GLY  34           HN       GLY  34  -7.840   8.952   3.272
  255   1HA   GLY  34           HA2      GLY  34  -5.639   9.762   3.000
  256   2HA   GLY  34           HA1      GLY  34  -6.177  10.046   1.348
  257    H    VAL  35           HN       VAL  35  -4.718  11.886   1.386
  258    HA   VAL  35           HA       VAL  35  -4.760  14.069   3.118
  259    HB   VAL  35           HB       VAL  35  -4.692  14.464   0.129
  260   1HG1  VAL  35          HG13      VAL  35  -3.174  15.674   2.466
  261   2HG1  VAL  35          HG12      VAL  35  -2.956  16.118   0.776
  262   3HG1  VAL  35          HG11      VAL  35  -4.485  16.450   1.583
  263   1HG2  VAL  35          HG23      VAL  35  -2.658  13.134   1.938
  264   2HG2  VAL  35          HG22      VAL  35  -3.322  12.523   0.425
  265   3HG2  VAL  35          HG21      VAL  35  -2.204  13.883   0.410
  266    H    GLY  36           HN       GLY  36  -7.206  13.046   0.903
  267   1HA   GLY  36           HA2      GLY  36  -9.387  14.289   1.928
  268   2HA   GLY  36           HA1      GLY  36  -8.650  15.610   1.027
  269    H    GLY  37           HN       GLY  37  -8.556  12.235   0.055
  270   1HA   GLY  37           HA2      GLY  37 -10.635  11.668  -1.503
  271   2HA   GLY  37           HA1      GLY  37  -9.962  12.993  -2.446
  272    NH1  ARG  38           NH1      ARG  38  -7.552  14.274  -5.435
  273    NH2  ARG  38           NH2      ARG  38  -5.668  15.254  -6.277
  274    H    ARG  38           HN       ARG  38  -7.309  11.775  -1.154
  275    HA   ARG  38           HA       ARG  38  -6.718  10.160  -3.554
  276   1HB   ARG  38           HB2      ARG  38  -4.805  10.723  -1.296
  277   2HB   ARG  38           HB1      ARG  38  -4.439  10.417  -2.991
  278   1HG   ARG  38           HG2      ARG  38  -5.783  12.878  -1.832
  279   2HG   ARG  38           HG1      ARG  38  -4.202  12.800  -2.602
  280   1HD   ARG  38           HD2      ARG  38  -5.453  11.911  -4.681
  281   2HD   ARG  38           HD1      ARG  38  -6.923  12.472  -3.885
  282    HE   ARG  38           HE       ARG  38  -4.861  14.525  -3.985
  283   1HH1  ARG  38          HH11      ARG  38  -7.981  13.705  -4.734
  284   2HH1  ARG  38          HH12      ARG  38  -8.106  14.661  -6.173
  285   1HH2  ARG  38          HH21      ARG  38  -4.684  15.416  -6.208
  286   2HH2  ARG  38          HH22      ARG  38  -6.189  15.656  -7.029
  287    H    LEU  39           HN       LEU  39  -6.455   7.992  -3.574
  288    HA   LEU  39           HA       LEU  39  -7.327   6.473  -1.240
  289   1HB   LEU  39           HB2      LEU  39  -7.789   5.882  -3.681
  290   2HB   LEU  39           HB1      LEU  39  -6.110   5.358  -3.771
  291    HG   LEU  39           HG       LEU  39  -6.801   4.046  -1.536
  292   1HD1  LEU  39          HD13      LEU  39  -9.109   4.975  -1.558
  293   2HD1  LEU  39          HD12      LEU  39  -9.377   4.238  -3.135
  294   3HD1  LEU  39          HD11      LEU  39  -9.116   3.222  -1.721
  295   1HD2  LEU  39          HD21      LEU  39  -7.277   3.284  -4.425
  296   2HD2  LEU  39          HD23      LEU  39  -5.911   2.854  -3.399
  297   3HD2  LEU  39          HD22      LEU  39  -7.489   2.124  -3.117
  298    H    THR  40           HN       THR  40  -6.102   5.177   0.080
  299    HA   THR  40           HA       THR  40  -3.133   5.247  -0.313
  300    HB   THR  40           HB       THR  40  -2.915   5.484   2.182
  301    HG1  THR  40           HG1      THR  40  -5.578   4.981   1.816
  302   1HG2  THR  40          HG23      THR  40  -4.676   7.529   0.776
  303   2HG2  THR  40          HG22      THR  40  -4.009   7.780   2.387
  304   3HG2  THR  40          HG21      THR  40  -2.932   7.624   1.004
  305    NH1  ARG  41           NH1      ARG  41   1.565  -1.642   4.273
  306    NH2  ARG  41           NH2      ARG  41   0.065  -1.219   5.944
  307    H    ARG  41           HN       ARG  41  -2.293   3.650   1.655
  308    HA   ARG  41           HA       ARG  41  -3.428   1.035   0.858
  309   1HB   ARG  41           HB2      ARG  41  -0.912   1.607   0.910
  310   2HB   ARG  41           HB1      ARG  41  -1.046   1.458   2.658
  311   1HG   ARG  41           HG2      ARG  41  -2.294  -0.815   1.994
  312   2HG   ARG  41           HG1      ARG  41  -1.302  -0.649   0.549
  313   1HD   ARG  41           HD2      ARG  41  -0.048  -1.940   2.194
  314   2HD   ARG  41           HD1      ARG  41   0.709  -0.355   2.047
  315    HE   ARG  41           HE       ARG  41  -1.149  -0.091   4.124
  316   1HH1  ARG  41          HH11      ARG  41   1.804  -1.591   3.304
  317   2HH1  ARG  41          HH12      ARG  41   2.204  -2.051   4.924
  318   1HH2  ARG  41          HH21      ARG  41  -0.820  -0.850   6.227
  319   2HH2  ARG  41          HH22      ARG  41   0.679  -1.622   6.624
  320    H    GLU  42           HN       GLU  42  -3.121   3.107   3.651
  321    HA   GLU  42           HA       GLU  42  -3.973   1.082   5.562
  322   1HB   GLU  42           HB2      GLU  42  -2.690   3.407   5.877
  323   2HB   GLU  42           HB1      GLU  42  -4.332   3.981   6.149
  324   1HG   GLU  42           HG2      GLU  42  -4.611   2.054   7.795
  325   2HG   GLU  42           HG1      GLU  42  -2.876   1.783   7.648
  326    H    ASP  43           HN       ASP  43  -5.675   1.576   3.182
  327    HA   ASP  43           HA       ASP  43  -8.225   2.152   4.643
  328   1HB   ASP  43           HB2      ASP  43  -7.204   3.272   2.071
  329   2HB   ASP  43           HB1      ASP  43  -8.930   2.938   2.195
  330    H    VAL  44           HN       VAL  44  -6.775   0.646   1.778
  331    HA   VAL  44           HA       VAL  44  -9.109  -1.119   1.450
  332    HB   VAL  44           HB       VAL  44  -6.506  -1.394  -0.037
  333   1HG1  VAL  44          HG11      VAL  44  -8.491  -3.000  -0.281
  334   2HG1  VAL  44          HG13      VAL  44  -9.372  -1.649  -0.987
  335   3HG1  VAL  44          HG12      VAL  44  -7.918  -2.258  -1.771
  336   1HG2  VAL  44          HG21      VAL  44  -8.498   0.833  -0.115
  337   2HG2  VAL  44          HG23      VAL  44  -6.771   0.867  -0.452
  338   3HG2  VAL  44          HG22      VAL  44  -7.890   0.243  -1.658
  339    H    GLU  45           HN       GLU  45  -6.222  -1.129   3.206
  340    HA   GLU  45           HA       GLU  45  -5.576  -3.928   3.130
  341   1HB   GLU  45           HB2      GLU  45  -4.709  -1.580   4.575
  342   2HB   GLU  45           HB1      GLU  45  -4.863  -2.947   5.670
  343   1HG   GLU  45           HG2      GLU  45  -3.394  -3.080   3.015
  344   2HG   GLU  45           HG1      GLU  45  -2.598  -2.778   4.557
  345    H    LYS  46           HN       LYS  46  -7.613  -1.995   5.287
  346    HA   LYS  46           HA       LYS  46  -8.339  -4.294   6.925
  347   1HB   LYS  46           HB2      LYS  46  -9.522  -1.514   6.712
  348   2HB   LYS  46           HB1      LYS  46 -10.018  -2.712   7.903
  349   1HG   LYS  46           HG2      LYS  46  -7.624  -2.846   8.671
  350   2HG   LYS  46           HG1      LYS  46  -7.245  -1.521   7.576
  351   1HD   LYS  46           HD2      LYS  46  -7.708  -0.267   9.454
  352   2HD   LYS  46           HD1      LYS  46  -9.352  -0.421   8.847
  353   1HE   LYS  46           HE2      LYS  46  -9.323  -1.027  11.212
  354   2HE   LYS  46           HE1      LYS  46  -9.636  -2.470  10.258
  355   1HZ   LYS  46           HZ2      LYS  46  -6.860  -2.130  10.566
  356   2HZ   LYS  46           HZ1      LYS  46  -7.602  -2.056  12.091
  357   3HZ   LYS  46           HZ3      LYS  46  -7.842  -3.409  11.094
  358    H    HIS  47           HN       HIS  47  -8.771  -4.917   4.263
  359    HA   HIS  47           HA       HIS  47 -11.710  -5.334   4.290
  360   1HB   HIS  47           HB2      HIS  47 -10.829  -3.316   2.792
  361   2HB   HIS  47           HB1      HIS  47 -10.467  -4.623   1.668
  362    HD1  HIS  47           HD1      HIS  47 -13.345  -3.134   3.416
  363    HD2  HIS  47           HD2      HIS  47 -12.666  -5.815   0.446
  364    HE1  HIS  47           HE1      HIS  47 -15.530  -3.562   2.452
  365    H    LEU  48           HN       LEU  48  -8.563  -6.126   2.931
  366    HA   LEU  48           HA       LEU  48  -9.219  -8.341   1.336
  367   1HB   LEU  48           HB2      LEU  48  -6.829  -7.595   2.970
  368   2HB   LEU  48           HB1      LEU  48  -6.907  -9.222   2.305
  369    HG   LEU  48           HG       LEU  48  -7.555  -6.916   0.498
  370   1HD1  LEU  48          HD12      LEU  48  -4.767  -7.771   1.346
  371   2HD1  LEU  48          HD11      LEU  48  -5.107  -6.767  -0.060
  372   3HD1  LEU  48          HD13      LEU  48  -5.484  -6.177   1.555
  373   1HD2  LEU  48          HD21      LEU  48  -7.646  -9.489   0.003
  374   2HD2  LEU  48          HD23      LEU  48  -6.904  -8.426  -1.189
  375   3HD2  LEU  48          HD22      LEU  48  -5.892  -9.362  -0.093
  376    H    ALA  49           HN       ALA  49  -9.736  -7.958   4.641
  377    HA   ALA  49           HA       ALA  49 -10.655 -10.738   4.866
  378   1HB   ALA  49           HB1      ALA  49  -8.064 -10.012   5.803
  379   2HB   ALA  49           HB3      ALA  49  -9.083 -10.285   7.213
  380   3HB   ALA  49           HB2      ALA  49  -8.895 -11.551   6.003
  381    H    LYS  50           HN       LYS  50 -11.890 -11.099   6.836
  382    HA   LYS  50           HA       LYS  50 -13.160  -8.579   7.756
  383   1HB   LYS  50           HB2      LYS  50 -14.168 -11.266   8.578
  384   2HB   LYS  50           HB1      LYS  50 -15.070  -9.814   8.158
  385   1HG   LYS  50           HG2      LYS  50 -14.058 -10.187   5.768
  386   2HG   LYS  50           HG1      LYS  50 -13.786 -11.833   6.328
  387   1HD   LYS  50           HD2      LYS  50 -16.185 -12.031   6.908
  388   2HD   LYS  50           HD1      LYS  50 -16.456 -10.385   6.347
  389   1HE   LYS  50           HE2      LYS  50 -15.799 -10.990   4.084
  390   2HE   LYS  50           HE1      LYS  50 -15.329 -12.602   4.609
  391   1HZ   LYS  50           HZ1      LYS  50 -18.058 -11.764   5.187
  392   2HZ   LYS  50           HZ3      LYS  50 -17.679 -12.085   3.564
  393   3HZ   LYS  50           HZ2      LYS  50 -17.457 -13.289   4.741
  394    H    ALA  51           HN       ALA  51 -10.868 -10.824   8.773
  395    HA   ALA  51           HA       ALA  51 -11.365 -11.013  11.565
  396   1HB   ALA  51           HB1      ALA  51  -8.810 -11.048   9.956
  397   2HB   ALA  51           HB3      ALA  51  -8.823 -11.290  11.700
  398   3HB   ALA  51           HB2      ALA  51  -9.674 -12.418  10.648
   
 Raw file had 398 H/Q atoms
  Start of MODEL   33
    1    OH   TYR   1           OH       TYR   1  29.272   3.097 -11.882
    2   1H    TYR   1           HT1      TYR   1  29.179   7.306  -9.139
    3   2H    TYR   1           HT3      TYR   1  30.845   7.604  -8.998
    4   3H    TYR   1           HT2      TYR   1  29.749   8.412  -7.983
    5    HA   TYR   1           HA       TYR   1  30.381   9.969  -9.610
    6   1HB   TYR   1           HB2      TYR   1  29.758   9.208 -12.086
    7   2HB   TYR   1           HB1      TYR   1  31.339   8.851 -11.397
    8    HD1  TYR   1           HD2      TYR   1  31.715   6.578 -10.329
    9    HD2  TYR   1           HD1      TYR   1  28.243   7.442 -12.630
   10    HE1  TYR   1           HE2      TYR   1  31.282   4.178 -10.577
   11    HE2  TYR   1           HE1      TYR   1  27.810   5.042 -12.877
   12    HH   TYR   1           HH       TYR   1  30.076   2.682 -12.202
   13    H    ALA   2           HN       ALA   2  27.805   8.330  -8.585
   14    HA   ALA   2           HA       ALA   2  25.719   9.432 -10.297
   15   1HB   ALA   2           HB3      ALA   2  25.426   7.332  -8.989
   16   2HB   ALA   2           HB2      ALA   2  25.497   8.277  -7.505
   17   3HB   ALA   2           HB1      ALA   2  24.173   8.519  -8.639
   18    H    SER   3           HN       SER   3  24.541   9.905  -7.307
   19    HA   SER   3           HA       SER   3  25.559  12.675  -6.989
   20   1HB   SER   3           HB2      SER   3  23.522  12.694  -8.528
   21   2HB   SER   3           HB1      SER   3  22.579  12.142  -7.129
   22    HG   SER   3           HG1      SER   3  23.922  14.551  -7.554
   23    H    LEU   4           HN       LEU   4  24.914  13.638  -4.936
   24    HA   LEU   4           HA       LEU   4  24.668  11.554  -2.842
   25   1HB   LEU   4           HB2      LEU   4  25.167  13.559  -1.321
   26   2HB   LEU   4           HB1      LEU   4  26.453  13.060  -2.414
   27    HG   LEU   4           HG       LEU   4  24.576  14.984  -3.616
   28   1HD1  LEU   4          HD12      LEU   4  26.206  15.698  -1.161
   29   2HD1  LEU   4          HD11      LEU   4  25.663  16.902  -2.325
   30   3HD1  LEU   4          HD13      LEU   4  24.484  15.960  -1.419
   31   1HD2  LEU   4          HD22      LEU   4  26.830  14.177  -4.497
   32   2HD2  LEU   4          HD21      LEU   4  26.626  15.925  -4.460
   33   3HD2  LEU   4          HD23      LEU   4  27.578  15.123  -3.215
   34    H    GLU   5           HN       GLU   5  22.663  13.592  -4.549
   35    HA   GLU   5           HA       GLU   5  20.803  14.069  -2.291
   36   1HB   GLU   5           HB2      GLU   5  20.543  14.852  -5.205
   37   2HB   GLU   5           HB1      GLU   5  19.529  15.416  -3.882
   38   1HG   GLU   5           HG2      GLU   5  22.241  15.862  -3.115
   39   2HG   GLU   5           HG1      GLU   5  22.056  16.468  -4.758
   40    H    GLU   6           HN       GLU   6  21.336  11.359  -3.249
   41    HA   GLU   6           HA       GLU   6  18.813  10.615  -4.614
   42   1HB   GLU   6           HB2      GLU   6  21.221   9.643  -5.059
   43   2HB   GLU   6           HB1      GLU   6  20.845   8.620  -3.678
   44   1HG   GLU   6           HG2      GLU   6  20.021   7.349  -5.479
   45   2HG   GLU   6           HG1      GLU   6  18.578   8.201  -4.936
   46    H    GLN   7           HN       GLN   7  18.160  11.633  -2.237
   47    HA   GLN   7           HA       GLN   7  18.113   9.621  -0.127
   48   1HB   GLN   7           HB2      GLN   7  16.533  12.189  -0.413
   49   2HB   GLN   7           HB1      GLN   7  16.675  11.232   1.056
   50   1HG   GLN   7           HG2      GLN   7  19.044  12.427  -0.421
   51   2HG   GLN   7           HG1      GLN   7  18.274  13.178   0.973
   52   1HE2  GLN   7          HE22      GLN   7  21.137  10.649   1.772
   53   2HE2  GLN   7          HE21      GLN   7  21.003  11.664   0.418
   54    H    ASN   8           HN       ASN   8  15.817   9.216   0.881
   55    HA   ASN   8           HA       ASN   8  14.396   7.495  -0.859
   56   1HB   ASN   8           HB2      ASN   8  13.929   8.666   1.822
   57   2HB   ASN   8           HB1      ASN   8  12.492   8.095   0.977
   58   1HD2  ASN   8          HD22      ASN   8  14.965   5.419   2.644
   59   2HD2  ASN   8          HD21      ASN   8  15.059   7.087   2.942
   60    H    ASN   9           HN       ASN   9  12.683  10.199   0.604
   61    HA   ASN   9           HA       ASN   9  10.985  11.552  -0.312
   62   1HB   ASN   9           HB2      ASN   9  11.915  13.114  -1.683
   63   2HB   ASN   9           HB1      ASN   9  13.403  12.216  -1.401
   64   1HD2  ASN   9          HD22      ASN   9  13.534  10.863  -4.676
   65   2HD2  ASN   9          HD21      ASN   9  14.170  10.795  -3.103
   66    H    ASP  10           HN       ASP  10  11.295   8.574  -1.244
   67    HA   ASP  10           HA       ASP  10   9.829   8.676  -3.802
   68   1HB   ASP  10           HB2      ASP  10  10.726   6.632  -4.095
   69   2HB   ASP  10           HB1      ASP  10  11.523   6.799  -2.532
   70    H    ALA  11           HN       ALA  11   7.755   7.660  -4.075
   71    HA   ALA  11           HA       ALA  11   5.968   8.198  -1.809
   72   1HB   ALA  11           HB1      ALA  11   5.528   8.676  -4.326
   73   2HB   ALA  11           HB3      ALA  11   5.117   6.967  -4.421
   74   3HB   ALA  11           HB2      ALA  11   4.205   8.034  -3.359
   75    H    LEU  12           HN       LEU  12   4.041   6.147  -2.645
   76    HA   LEU  12           HA       LEU  12   4.833   4.062  -0.822
   77   1HB   LEU  12           HB2      LEU  12   2.660   3.830  -2.906
   78   2HB   LEU  12           HB1      LEU  12   2.735   3.055  -1.327
   79    HG   LEU  12           HG       LEU  12   2.414   6.029  -1.869
   80   1HD1  LEU  12          HD11      LEU  12   0.602   3.932  -0.625
   81   2HD1  LEU  12          HD13      LEU  12   0.254   5.658  -0.651
   82   3HD1  LEU  12          HD12      LEU  12   0.346   4.757  -2.159
   83   1HD2  LEU  12          HD22      LEU  12   2.979   4.453   0.645
   84   2HD2  LEU  12          HD21      LEU  12   3.746   5.935   0.083
   85   3HD2  LEU  12          HD23      LEU  12   2.108   5.981   0.725
   86    H    SER  13           HN       SER  13   4.171   1.674  -2.002
   87    HA   SER  13           HA       SER  13   6.501   1.305  -3.772
   88   1HB   SER  13           HB2      SER  13   5.177  -0.307  -1.772
   89   2HB   SER  13           HB1      SER  13   5.341  -1.210  -3.291
   90    HG   SER  13           HG1      SER  13   7.245  -0.578  -1.560
   91    HA   PRO  14           HA       PRO  14   4.218   0.656  -7.492
   92   1HB   PRO  14           HB2      PRO  14   5.418  -1.750  -8.377
   93   2HB   PRO  14           HB1      PRO  14   5.906  -0.106  -8.800
   94   1HG   PRO  14           HG2      PRO  14   7.232  -2.003  -6.983
   95   2HG   PRO  14           HG1      PRO  14   7.852  -0.485  -7.633
   96   1HD   PRO  14           HD1      PRO  14   6.972  -0.948  -4.963
   97   2HD   PRO  14           HD2      PRO  14   7.374   0.615  -5.701
   98    H    ALA  15           HN       ALA  15   4.829  -2.418  -5.815
   99    HA   ALA  15           HA       ALA  15   2.765  -3.986  -6.828
  100   1HB   ALA  15           HB2      ALA  15   4.529  -4.124  -4.644
  101   2HB   ALA  15           HB1      ALA  15   2.920  -4.354  -3.965
  102   3HB   ALA  15           HB3      ALA  15   3.494  -5.412  -5.251
  103    H    ILE  16           HN       ILE  16   2.431  -1.108  -5.067
  104    HA   ILE  16           HA       ILE  16  -0.033  -1.618  -3.698
  105    HB   ILE  16           HB       ILE  16   1.566   0.411  -3.493
  106   1HG1  ILE  16          HG12      ILE  16  -1.452   0.753  -3.609
  107   2HG1  ILE  16          HG11      ILE  16  -0.527   0.194  -2.220
  108   1HG2  ILE  16          HG23      ILE  16   1.235   0.873  -6.029
  109   2HG2  ILE  16          HG22      ILE  16  -0.302   1.587  -5.551
  110   3HG2  ILE  16          HG21      ILE  16   1.207   2.250  -4.933
  111   1HD1  ILE  16           HD1      ILE  16   0.775   2.433  -2.454
  112   2HD1  ILE  16           HD3      ILE  16  -0.577   2.948  -3.457
  113   3HD1  ILE  16           HD2      ILE  16  -0.849   2.495  -1.777
  114    NH1  ARG  17           NH2      ARG  17  -0.818   4.367  -8.813
  115    NH2  ARG  17           NH1      ARG  17   0.350   5.325 -10.527
  116    H    ARG  17           HN       ARG  17   0.697  -0.739  -7.007
  117    HA   ARG  17           HA       ARG  17  -2.076  -0.176  -7.708
  118   1HB   ARG  17           HB2      ARG  17   0.437  -0.598  -9.330
  119   2HB   ARG  17           HB1      ARG  17  -1.132  -0.324 -10.081
  120   1HG   ARG  17           HG2      ARG  17  -1.361   1.803  -8.848
  121   2HG   ARG  17           HG1      ARG  17   0.193   1.527  -8.071
  122   1HD   ARG  17           HD2      ARG  17   1.117   1.322 -10.506
  123   2HD   ARG  17           HD1      ARG  17  -0.378   2.131 -10.972
  124    HE   ARG  17           HE       ARG  17   1.861   3.357  -9.544
  125   1HH1  ARG  17          HH21      ARG  17  -0.952   3.592  -8.195
  126   2HH1  ARG  17          HH22      ARG  17  -1.418   5.164  -8.751
  127   1HH2  ARG  17          HH11      ARG  17   1.093   5.268 -11.194
  128   2HH2  ARG  17          HH12      ARG  17  -0.230   6.138 -10.494
  129    NH1  ARG  18           NH1      ARG  18   3.982  -5.225 -10.054
  130    NH2  ARG  18           NH2      ARG  18   4.280  -7.416 -10.632
  131    H    ARG  18           HN       ARG  18   0.075  -2.942  -7.852
  132    HA   ARG  18           HA       ARG  18  -1.885  -4.554  -9.344
  133   1HB   ARG  18           HB2      ARG  18   0.698  -5.409  -8.010
  134   2HB   ARG  18           HB1      ARG  18  -0.225  -6.335  -9.189
  135   1HG   ARG  18           HG2      ARG  18   0.097  -3.955 -10.515
  136   2HG   ARG  18           HG1      ARG  18   1.601  -4.048  -9.607
  137   1HD   ARG  18           HD2      ARG  18   0.492  -6.214 -11.429
  138   2HD   ARG  18           HD1      ARG  18   1.866  -5.168 -11.784
  139    HE   ARG  18           HE       ARG  18   1.844  -7.351  -9.767
  140   1HH1  ARG  18          HH11      ARG  18   3.359  -4.479  -9.820
  141   2HH1  ARG  18          HH12      ARG  18   4.968  -5.062 -10.085
  142   1HH2  ARG  18          HH21      ARG  18   3.882  -8.311 -10.830
  143   2HH2  ARG  18          HH22      ARG  18   5.272  -7.289 -10.673
  144    H    LEU  19           HN       LEU  19  -1.465  -3.625  -6.169
  145    HA   LEU  19           HA       LEU  19  -2.105  -6.042  -4.760
  146   1HB   LEU  19           HB2      LEU  19  -1.223  -3.845  -3.789
  147   2HB   LEU  19           HB1      LEU  19  -2.878  -3.256  -3.885
  148    HG   LEU  19           HG       LEU  19  -3.338  -5.628  -2.677
  149   1HD1  LEU  19          HD13      LEU  19  -0.761  -5.957  -2.733
  150   2HD1  LEU  19          HD12      LEU  19  -0.720  -4.754  -1.448
  151   3HD1  LEU  19          HD11      LEU  19  -1.588  -6.267  -1.210
  152   1HD2  LEU  19          HD23      LEU  19  -2.513  -2.977  -1.466
  153   2HD2  LEU  19          HD22      LEU  19  -4.147  -3.573  -1.746
  154   3HD2  LEU  19          HD21      LEU  19  -3.148  -4.298  -0.490
  155    H    LEU  20           HN       LEU  20  -4.055  -3.593  -6.337
  156    HA   LEU  20           HA       LEU  20  -6.586  -4.501  -5.267
  157   1HB   LEU  20           HB2      LEU  20  -5.910  -2.878  -7.732
  158   2HB   LEU  20           HB1      LEU  20  -7.550  -3.150  -7.152
  159    HG   LEU  20           HG       LEU  20  -5.544  -2.144  -5.177
  160   1HD1  LEU  20          HD11      LEU  20  -6.791  -0.474  -7.386
  161   2HD1  LEU  20          HD13      LEU  20  -6.054   0.206  -5.939
  162   3HD1  LEU  20          HD12      LEU  20  -5.071  -0.703  -7.082
  163   1HD2  LEU  20          HD22      LEU  20  -7.936  -2.686  -4.622
  164   2HD2  LEU  20          HD21      LEU  20  -7.519  -1.006  -4.303
  165   3HD2  LEU  20          HD23      LEU  20  -8.440  -1.427  -5.743
  166    H    ALA  21           HN       ALA  21  -4.757  -5.185  -8.206
  167    HA   ALA  21           HA       ALA  21  -6.787  -6.822  -9.435
  168   1HB   ALA  21           HB2      ALA  21  -4.845  -5.803 -10.648
  169   2HB   ALA  21           HB1      ALA  21  -3.789  -6.960  -9.844
  170   3HB   ALA  21           HB3      ALA  21  -5.030  -7.527 -10.957
  171    H    GLU  22           HN       GLU  22  -3.842  -7.646  -7.616
  172    HA   GLU  22           HA       GLU  22  -3.974 -10.417  -7.636
  173   1HB   GLU  22           HB2      GLU  22  -2.335  -8.832  -6.393
  174   2HB   GLU  22           HB1      GLU  22  -3.467  -8.959  -5.051
  175   1HG   GLU  22           HG2      GLU  22  -2.217 -10.811  -4.528
  176   2HG   GLU  22           HG1      GLU  22  -3.237 -11.585  -5.737
  177    H    HIS  23           HN       HIS  23  -5.954  -8.188  -5.779
  178    HA   HIS  23           HA       HIS  23  -7.475 -10.494  -4.644
  179   1HB   HIS  23           HB2      HIS  23  -7.606  -7.572  -3.858
  180   2HB   HIS  23           HB1      HIS  23  -8.330  -8.929  -2.997
  181    HD1  HIS  23           HD1      HIS  23  -6.176 -10.801  -2.677
  182    HD2  HIS  23           HD2      HIS  23  -5.350  -6.831  -2.526
  183    HE1  HIS  23           HE1      HIS  23  -4.071 -10.648  -1.479
  184    H    ASN  24           HN       ASN  24  -7.594  -8.112  -7.041
  185    HA   ASN  24           HA       ASN  24  -9.305  -7.441  -8.505
  186   1HB   ASN  24           HB2      ASN  24  -9.502 -10.025  -8.519
  187   2HB   ASN  24           HB1      ASN  24 -10.912  -9.780  -7.492
  188   1HD2  ASN  24          HD22      ASN  24 -12.085  -7.530 -10.412
  189   2HD2  ASN  24          HD21      ASN  24 -11.329  -7.081  -8.961
  190    H    LEU  25           HN       LEU  25  -9.381  -5.831  -6.508
  191    HA   LEU  25           HA       LEU  25 -12.222  -5.771  -5.547
  192   1HB   LEU  25           HB2      LEU  25  -9.766  -4.676  -4.153
  193   2HB   LEU  25           HB1      LEU  25 -11.414  -4.595  -3.544
  194    HG   LEU  25           HG       LEU  25  -9.914  -7.170  -4.159
  195   1HD1  LEU  25          HD13      LEU  25  -9.027  -5.895  -2.190
  196   2HD1  LEU  25          HD12      LEU  25 -10.638  -5.932  -1.482
  197   3HD1  LEU  25          HD11      LEU  25  -9.753  -7.433  -1.735
  198   1HD2  LEU  25          HD22      LEU  25 -12.698  -6.511  -3.246
  199   2HD2  LEU  25          HD21      LEU  25 -12.156  -7.779  -4.339
  200   3HD2  LEU  25          HD23      LEU  25 -11.928  -7.955  -2.602
  201    H    ASP  26           HN       ASP  26 -13.316  -3.846  -5.716
  202    HA   ASP  26           HA       ASP  26 -12.049  -1.827  -7.480
  203   1HB   ASP  26           HB2      ASP  26 -14.905  -1.708  -6.557
  204   2HB   ASP  26           HB1      ASP  26 -14.211  -1.170  -8.084
  205    H    ALA  27           HN       ALA  27 -11.609   0.231  -6.849
  206    HA   ALA  27           HA       ALA  27 -11.656   0.787  -3.969
  207   1HB   ALA  27           HB3      ALA  27 -10.707   2.437  -6.326
  208   2HB   ALA  27           HB2      ALA  27 -10.501   2.897  -4.639
  209   3HB   ALA  27           HB1      ALA  27  -9.702   1.458  -5.262
  210    H    SER  28           HN       SER  28 -13.860   1.117  -6.423
  211    HA   SER  28           HA       SER  28 -14.970   3.701  -6.010
  212   1HB   SER  28           HB2      SER  28 -17.176   2.331  -6.681
  213   2HB   SER  28           HB1      SER  28 -15.891   2.626  -7.869
  214    HG   SER  28           HG1      SER  28 -15.305   0.603  -7.741
  215    H    ALA  29           HN       ALA  29 -15.227   0.755  -4.167
  216    HA   ALA  29           HA       ALA  29 -17.373   1.880  -2.470
  217   1HB   ALA  29           HB3      ALA  29 -16.254  -0.779  -2.991
  218   2HB   ALA  29           HB2      ALA  29 -16.560  -0.481  -1.283
  219   3HB   ALA  29           HB1      ALA  29 -17.869  -0.330  -2.451
  220    H    ILE  30           HN       ILE  30 -13.973   1.713  -2.571
  221    HA   ILE  30           HA       ILE  30 -13.702   2.087   0.357
  222    HB   ILE  30           HB       ILE  30 -11.528   2.031  -1.755
  223   1HG1  ILE  30          HG12      ILE  30 -12.732  -0.069  -1.888
  224   2HG1  ILE  30          HG11      ILE  30 -11.234  -0.369  -1.023
  225   1HG2  ILE  30          HG21      ILE  30 -11.561   2.430   1.136
  226   2HG2  ILE  30          HG23      ILE  30 -10.584   1.035   0.699
  227   3HG2  ILE  30          HG22      ILE  30 -10.228   2.609   0.004
  228   1HD1  ILE  30           HD1      ILE  30 -12.685   0.119   1.122
  229   2HD1  ILE  30           HD3      ILE  30 -14.045  -0.216   0.057
  230   3HD1  ILE  30           HD2      ILE  30 -12.821  -1.449   0.338
  231    H    LYS  31           HN       LYS  31 -13.276   4.014   1.292
  232    HA   LYS  31           HA       LYS  31 -13.248   6.393  -0.488
  233   1HB   LYS  31           HB2      LYS  31 -13.277   6.926   2.379
  234   2HB   LYS  31           HB1      LYS  31 -14.419   7.431   1.138
  235   1HG   LYS  31           HG2      LYS  31 -15.374   5.092   1.176
  236   2HG   LYS  31           HG1      LYS  31 -14.339   4.751   2.558
  237   1HD   LYS  31           HD2      LYS  31 -15.392   6.588   3.819
  238   2HD   LYS  31           HD1      LYS  31 -16.403   6.975   2.431
  239   1HE   LYS  31           HE2      LYS  31 -17.516   4.829   2.558
  240   2HE   LYS  31           HE1      LYS  31 -16.388   4.259   3.780
  241   1HZ   LYS  31           HZ2      LYS  31 -18.037   6.656   4.247
  242   2HZ   LYS  31           HZ1      LYS  31 -18.659   5.101   4.526
  243   3HZ   LYS  31           HZ3      LYS  31 -17.293   5.635   5.381
  244    H    GLY  32           HN       GLY  32 -11.569   7.822  -0.554
  245   1HA   GLY  32           HA2      GLY  32  -9.048   6.915   0.720
  246   2HA   GLY  32           HA1      GLY  32  -9.168   8.079  -0.596
  247    H    THR  33           HN       THR  33  -9.293   7.617   2.841
  248    HA   THR  33           HA       THR  33  -9.793  10.513   3.287
  249    HB   THR  33           HB       THR  33  -9.923   9.814   5.724
  250    HG1  THR  33           HG1      THR  33  -9.024   7.537   4.390
  251   1HG2  THR  33          HG21      THR  33 -11.560   8.091   3.819
  252   2HG2  THR  33          HG23      THR  33 -11.948   8.391   5.510
  253   3HG2  THR  33          HG22      THR  33 -12.013   9.709   4.345
  254    H    GLY  34           HN       GLY  34  -7.357   9.883   2.056
  255   1HA   GLY  34           HA2      GLY  34  -5.210   9.668   3.978
  256   2HA   GLY  34           HA1      GLY  34  -5.033  10.173   2.299
  257    H    VAL  35           HN       VAL  35  -3.601  11.386   4.357
  258    HA   VAL  35           HA       VAL  35  -4.642  13.661   5.584
  259    HB   VAL  35           HB       VAL  35  -1.960  13.435   4.189
  260   1HG1  VAL  35          HG13      VAL  35  -3.051  15.307   6.312
  261   2HG1  VAL  35          HG12      VAL  35  -1.328  15.111   6.003
  262   3HG1  VAL  35          HG11      VAL  35  -2.382  15.743   4.743
  263   1HG2  VAL  35          HG21      VAL  35  -2.446  11.627   5.847
  264   2HG2  VAL  35          HG23      VAL  35  -1.150  12.691   6.385
  265   3HG2  VAL  35          HG22      VAL  35  -2.767  12.860   7.063
  266    H    GLY  36           HN       GLY  36  -4.418  13.018   2.251
  267   1HA   GLY  36           HA2      GLY  36  -5.305  15.806   1.660
  268   2HA   GLY  36           HA1      GLY  36  -4.034  15.079   0.683
  269    H    GLY  37           HN       GLY  37  -6.094  12.666   1.630
  270   1HA   GLY  37           HA2      GLY  37  -8.148  11.844   0.659
  271   2HA   GLY  37           HA1      GLY  37  -8.016  13.077  -0.592
  272    NH1  ARG  38           NH1      ARG  38  -2.168  11.851   2.244
  273    NH2  ARG  38           NH2      ARG  38  -0.781  13.337   1.198
  274    H    ARG  38           HN       ARG  38  -5.264  11.149   0.291
  275    HA   ARG  38           HA       ARG  38  -5.285   9.969  -2.432
  276   1HB   ARG  38           HB2      ARG  38  -3.144  10.106  -0.295
  277   2HB   ARG  38           HB1      ARG  38  -2.932   9.308  -1.850
  278   1HG   ARG  38           HG2      ARG  38  -2.776  11.288  -2.984
  279   2HG   ARG  38           HG1      ARG  38  -4.015  12.061  -2.000
  280   1HD   ARG  38           HD2      ARG  38  -1.215  11.467  -0.988
  281   2HD   ARG  38           HD1      ARG  38  -1.687  13.016  -1.683
  282    HE   ARG  38           HE       ARG  38  -3.558  12.806   0.227
  283   1HH1  ARG  38          HH11      ARG  38  -2.991  11.285   2.218
  284   2HH1  ARG  38          HH12      ARG  38  -1.591  11.859   3.061
  285   1HH2  ARG  38          HH21      ARG  38  -0.565  13.883   0.389
  286   2HH2  ARG  38          HH22      ARG  38  -0.181  13.369   1.997
  287    H    LEU  39           HN       LEU  39  -5.635   7.852  -2.799
  288    HA   LEU  39           HA       LEU  39  -6.747   6.168  -0.782
  289   1HB   LEU  39           HB2      LEU  39  -7.020   5.965  -3.310
  290   2HB   LEU  39           HB1      LEU  39  -5.437   5.194  -3.324
  291    HG   LEU  39           HG       LEU  39  -6.559   3.749  -1.358
  292   1HD1  LEU  39          HD13      LEU  39  -8.692   5.062  -1.523
  293   2HD1  LEU  39          HD12      LEU  39  -8.884   4.479  -3.173
  294   3HD1  LEU  39          HD11      LEU  39  -8.926   3.343  -1.828
  295   1HD2  LEU  39          HD21      LEU  39  -6.865   3.400  -4.354
  296   2HD2  LEU  39          HD23      LEU  39  -5.617   2.717  -3.316
  297   3HD2  LEU  39          HD22      LEU  39  -7.274   2.132  -3.202
  298    H    THR  40           HN       THR  40  -5.449   5.863   0.989
  299    HA   THR  40           HA       THR  40  -2.631   5.158   0.727
  300    HB   THR  40           HB       THR  40  -2.777   4.850   3.232
  301    HG1  THR  40           HG1      THR  40  -5.035   4.078   2.875
  302   1HG2  THR  40          HG21      THR  40  -3.377   7.268   1.768
  303   2HG2  THR  40          HG23      THR  40  -4.364   7.225   3.226
  304   3HG2  THR  40          HG22      THR  40  -2.610   7.123   3.345
  305    NH1  ARG  41           NH1      ARG  41   1.993  -2.622  -1.503
  306    NH2  ARG  41           NH2      ARG  41   1.645  -4.362  -0.065
  307    H    ARG  41           HN       ARG  41  -1.717   3.141   1.507
  308    HA   ARG  41           HA       ARG  41  -3.184   0.840   0.486
  309   1HB   ARG  41           HB2      ARG  41  -0.611   1.303   0.471
  310   2HB   ARG  41           HB1      ARG  41  -0.657   0.636   2.100
  311   1HG   ARG  41           HG2      ARG  41  -1.741  -1.413   1.232
  312   2HG   ARG  41           HG1      ARG  41  -1.698  -0.747  -0.397
  313   1HD   ARG  41           HD2      ARG  41   0.772  -0.636  -0.291
  314   2HD   ARG  41           HD1      ARG  41   0.732  -1.295   1.343
  315    HE   ARG  41           HE       ARG  41  -0.669  -3.140  -0.229
  316   1HH1  ARG  41          HH11      ARG  41   1.687  -1.747  -1.879
  317   2HH1  ARG  41          HH12      ARG  41   2.841  -3.037  -1.832
  318   1HH2  ARG  41          HH21      ARG  41   1.079  -4.792   0.638
  319   2HH2  ARG  41          HH22      ARG  41   2.487  -4.808  -0.370
  320    H    GLU  42           HN       GLU  42  -3.398   2.473   3.323
  321    HA   GLU  42           HA       GLU  42  -3.782   0.061   5.013
  322   1HB   GLU  42           HB2      GLU  42  -4.014   2.975   5.799
  323   2HB   GLU  42           HB1      GLU  42  -3.890   1.593   6.881
  324   1HG   GLU  42           HG2      GLU  42  -1.691   1.332   5.158
  325   2HG   GLU  42           HG1      GLU  42  -1.767   3.054   5.523
  326    H    ASP  43           HN       ASP  43  -5.562   2.058   3.000
  327    HA   ASP  43           HA       ASP  43  -8.063   1.918   4.550
  328   1HB   ASP  43           HB2      ASP  43  -7.190   3.176   1.988
  329   2HB   ASP  43           HB1      ASP  43  -8.903   2.815   2.179
  330    H    VAL  44           HN       VAL  44  -6.714   0.513   1.592
  331    HA   VAL  44           HA       VAL  44  -9.076  -1.201   1.232
  332    HB   VAL  44           HB       VAL  44  -6.466  -1.448  -0.259
  333   1HG1  VAL  44          HG11      VAL  44  -8.227  -3.159  -0.628
  334   2HG1  VAL  44          HG13      VAL  44  -9.374  -1.884  -1.023
  335   3HG1  VAL  44          HG12      VAL  44  -7.987  -2.174  -2.067
  336   1HG2  VAL  44          HG21      VAL  44  -8.410   0.780  -0.219
  337   2HG2  VAL  44          HG23      VAL  44  -6.747   0.755  -0.797
  338   3HG2  VAL  44          HG22      VAL  44  -8.045   0.160  -1.826
  339    H    GLU  45           HN       GLU  45  -6.204  -1.311   2.997
  340    HA   GLU  45           HA       GLU  45  -5.681  -4.153   2.861
  341   1HB   GLU  45           HB2      GLU  45  -3.911  -2.705   3.604
  342   2HB   GLU  45           HB1      GLU  45  -4.921  -2.033   4.879
  343   1HG   GLU  45           HG2      GLU  45  -4.678  -3.887   6.234
  344   2HG   GLU  45           HG1      GLU  45  -4.561  -4.997   4.870
  345    H    LYS  46           HN       LYS  46  -6.995  -2.200   5.538
  346    HA   LYS  46           HA       LYS  46  -7.930  -4.388   7.078
  347   1HB   LYS  46           HB2      LYS  46  -9.061  -2.805   8.390
  348   2HB   LYS  46           HB1      LYS  46  -7.768  -1.854   7.668
  349   1HG   LYS  46           HG2      LYS  46  -9.492  -1.403   5.756
  350   2HG   LYS  46           HG1      LYS  46 -10.692  -1.924   6.932
  351   1HD   LYS  46           HD2      LYS  46  -9.258  -0.220   8.476
  352   2HD   LYS  46           HD1      LYS  46  -9.011   0.530   6.903
  353   1HE   LYS  46           HE2      LYS  46 -11.599   0.035   8.369
  354   2HE   LYS  46           HE1      LYS  46 -11.008   1.532   7.659
  355   1HZ   LYS  46           HZ3      LYS  46 -11.133   0.071   5.488
  356   2HZ   LYS  46           HZ2      LYS  46 -12.327  -0.735   6.388
  357   3HZ   LYS  46           HZ1      LYS  46 -12.477   0.928   6.075
  358    H    HIS  47           HN       HIS  47  -9.126  -3.073   4.160
  359    HA   HIS  47           HA       HIS  47 -11.897  -3.804   4.432
  360   1HB   HIS  47           HB2      HIS  47 -10.995  -2.232   2.698
  361   2HB   HIS  47           HB1      HIS  47 -10.271  -3.616   1.883
  362    HD1  HIS  47           HD1      HIS  47 -13.689  -2.878   3.170
  363    HD2  HIS  47           HD2      HIS  47 -11.914  -4.536  -0.081
  364    HE1  HIS  47           HE1      HIS  47 -15.523  -3.519   1.716
  365    H    LEU  48           HN       LEU  48  -9.037  -5.608   3.881
  366    HA   LEU  48           HA       LEU  48 -10.362  -7.872   2.587
  367   1HB   LEU  48           HB2      LEU  48  -7.607  -7.315   3.634
  368   2HB   LEU  48           HB1      LEU  48  -8.080  -8.976   3.293
  369    HG   LEU  48           HG       LEU  48  -8.696  -6.901   1.225
  370   1HD1  LEU  48          HD11      LEU  48  -5.950  -7.907   1.971
  371   2HD1  LEU  48          HD13      LEU  48  -6.324  -7.495   0.301
  372   3HD1  LEU  48          HD12      LEU  48  -6.445  -6.268   1.558
  373   1HD2  LEU  48          HD23      LEU  48  -9.308  -9.387   1.130
  374   2HD2  LEU  48          HD22      LEU  48  -8.425  -8.767  -0.262
  375   3HD2  LEU  48          HD21      LEU  48  -7.584  -9.709   0.966
  376    H    ALA  49           HN       ALA  49 -11.443  -9.446   3.596
  377    HA   ALA  49           HA       ALA  49 -10.692 -10.628   6.076
  378   1HB   ALA  49           HB3      ALA  49 -12.446  -8.243   6.234
  379   2HB   ALA  49           HB2      ALA  49 -12.953  -9.632   7.191
  380   3HB   ALA  49           HB1      ALA  49 -11.362  -8.922   7.444
  381    H    LYS  50           HN       LYS  50 -11.534 -12.607   5.954
  382    HA   LYS  50           HA       LYS  50 -13.564 -13.300   4.039
  383   1HB   LYS  50           HB2      LYS  50 -12.042 -14.712   6.167
  384   2HB   LYS  50           HB1      LYS  50 -13.546 -15.459   5.641
  385   1HG   LYS  50           HG2      LYS  50 -11.609 -16.242   4.291
  386   2HG   LYS  50           HG1      LYS  50 -12.789 -15.390   3.302
  387   1HD   LYS  50           HD2      LYS  50 -11.432 -13.503   3.072
  388   2HD   LYS  50           HD1      LYS  50 -10.545 -13.834   4.556
  389   1HE   LYS  50           HE2      LYS  50  -9.301 -14.285   2.347
  390   2HE   LYS  50           HE1      LYS  50  -9.283 -15.579   3.539
  391   1HZ   LYS  50           HZ2      LYS  50 -11.228 -15.406   1.310
  392   2HZ   LYS  50           HZ1      LYS  50  -9.798 -16.319   1.260
  393   3HZ   LYS  50           HZ3      LYS  50 -11.011 -16.704   2.383
  394    H    ALA  51           HN       ALA  51 -15.261 -11.797   4.652
  395    HA   ALA  51           HA       ALA  51 -16.556 -11.824   7.195
  396   1HB   ALA  51           HB3      ALA  51 -16.828 -10.239   5.098
  397   2HB   ALA  51           HB2      ALA  51 -18.125 -11.357   4.686
  398   3HB   ALA  51           HB1      ALA  51 -18.172 -10.476   6.210
   
 Raw file had 398 H/Q atoms
  Start of MODEL   34
    1    OH   TYR   1           OH       TYR   1  24.197   3.535  -2.690
    2   1H    TYR   1           HT1      TYR   1  20.253   4.491   2.522
    3   2H    TYR   1           HT3      TYR   1  21.685   4.190   1.660
    4   3H    TYR   1           HT2      TYR   1  20.201   3.611   1.072
    5    HA   TYR   1           HA       TYR   1  20.228   1.808   2.356
    6   1HB   TYR   1           HB2      TYR   1  23.029   2.376   3.218
    7   2HB   TYR   1           HB1      TYR   1  22.344   0.905   2.532
    8    HD1  TYR   1           HD1      TYR   1  21.985   0.725   0.086
    9    HD2  TYR   1           HD2      TYR   1  23.828   4.166   1.777
   10    HE1  TYR   1           HE1      TYR   1  22.777   1.394  -2.136
   11    HE2  TYR   1           HE2      TYR   1  24.620   4.833  -0.445
   12    HH   TYR   1           HH       TYR   1  24.872   4.207  -2.575
   13    H    ALA   2           HN       ALA   2  18.932   1.984   4.110
   14    HA   ALA   2           HA       ALA   2  20.200   2.406   6.705
   15   1HB   ALA   2           HB1      ALA   2  19.705   4.741   5.913
   16   2HB   ALA   2           HB3      ALA   2  17.997   4.313   5.880
   17   3HB   ALA   2           HB2      ALA   2  18.877   4.310   7.406
   18    H    SER   3           HN       SER   3  19.246   0.115   6.245
   19    HA   SER   3           HA       SER   3  16.440  -0.341   6.355
   20   1HB   SER   3           HB2      SER   3  18.888  -1.945   6.847
   21   2HB   SER   3           HB1      SER   3  17.407  -2.540   7.623
   22    HG   SER   3           HG1      SER   3  16.853  -3.166   5.699
   23    H    LEU   4           HN       LEU   4  18.324   1.190   8.588
   24    HA   LEU   4           HA       LEU   4  16.892   0.154  10.962
   25   1HB   LEU   4           HB2      LEU   4  19.204   2.021  10.517
   26   2HB   LEU   4           HB1      LEU   4  18.349   2.063  12.051
   27    HG   LEU   4           HG       LEU   4  20.340   0.510  12.038
   28   1HD1  LEU   4          HD13      LEU   4  17.782   0.087  13.119
   29   2HD1  LEU   4          HD12      LEU   4  18.223  -1.464  12.416
   30   3HD1  LEU   4          HD11      LEU   4  19.268  -0.712  13.613
   31   1HD2  LEU   4          HD21      LEU   4  20.018  -0.211   9.645
   32   2HD2  LEU   4          HD23      LEU   4  20.249  -1.552  10.760
   33   3HD2  LEU   4          HD22      LEU   4  18.639  -1.172  10.162
   34    H    GLU   5           HN       GLU   5  17.345   3.247   9.273
   35    HA   GLU   5           HA       GLU   5  15.047   4.372  10.775
   36   1HB   GLU   5           HB2      GLU   5  17.088   5.609   8.918
   37   2HB   GLU   5           HB1      GLU   5  15.728   6.503   9.585
   38   1HG   GLU   5           HG2      GLU   5  16.513   6.254  11.815
   39   2HG   GLU   5           HG1      GLU   5  17.615   4.953  11.369
   40    H    GLU   6           HN       GLU   6  15.481   2.611   8.040
   41    HA   GLU   6           HA       GLU   6  13.713   4.066   6.233
   42   1HB   GLU   6           HB2      GLU   6  15.421   2.549   5.346
   43   2HB   GLU   6           HB1      GLU   6  14.675   1.194   6.186
   44   1HG   GLU   6           HG2      GLU   6  12.923   1.063   4.697
   45   2HG   GLU   6           HG1      GLU   6  12.884   2.804   4.431
   46    H    GLN   7           HN       GLN   7  13.136   2.486   9.047
   47    HA   GLN   7           HA       GLN   7  10.837   0.883   8.431
   48   1HB   GLN   7           HB2      GLN   7  12.009   2.097  10.886
   49   2HB   GLN   7           HB1      GLN   7  10.324   1.592  10.963
   50   1HG   GLN   7           HG2      GLN   7  10.945  -0.664  10.195
   51   2HG   GLN   7           HG1      GLN   7  12.629  -0.167  10.051
   52   1HE2  GLN   7          HE22      GLN   7  12.144   0.460  13.879
   53   2HE2  GLN   7          HE21      GLN   7  11.917   1.577  12.621
   54    H    ASN   8           HN       ASN   8   9.817   2.369   6.868
   55    HA   ASN   8           HA       ASN   8   7.505   3.612   7.888
   56   1HB   ASN   8           HB2      ASN   8   9.904   5.297   7.986
   57   2HB   ASN   8           HB1      ASN   8   8.562   6.043   7.122
   58   1HD2  ASN   8          HD22      ASN   8   6.388   5.746  10.088
   59   2HD2  ASN   8          HD21      ASN   8   6.320   5.330   8.445
   60    H    ASN   9           HN       ASN   9   6.771   5.456   6.168
   61    HA   ASN   9           HA       ASN   9   6.281   5.930   3.908
   62   1HB   ASN   9           HB2      ASN   9   8.926   5.399   3.820
   63   2HB   ASN   9           HB1      ASN   9   8.327   4.050   2.857
   64   1HD2  ASN   9          HD22      ASN   9   6.639   6.527   0.596
   65   2HD2  ASN   9          HD21      ASN   9   6.081   5.301   1.628
   66    H    ASP  10           HN       ASP  10   6.495   4.095   1.724
   67    HA   ASP  10           HA       ASP  10   4.124   2.526   2.183
   68   1HB   ASP  10           HB2      ASP  10   4.483   1.678  -0.074
   69   2HB   ASP  10           HB1      ASP  10   4.827   3.406  -0.049
   70    H    ALA  11           HN       ALA  11   3.996   0.654   3.241
   71    HA   ALA  11           HA       ALA  11   6.380  -0.844   3.973
   72   1HB   ALA  11           HB1      ALA  11   3.644  -0.726   4.800
   73   2HB   ALA  11           HB3      ALA  11   4.032  -2.400   4.411
   74   3HB   ALA  11           HB2      ALA  11   4.992  -1.528   5.603
   75    H    LEU  12           HN       LEU  12   3.709  -1.293   1.708
   76    HA   LEU  12           HA       LEU  12   4.681  -3.903   0.829
   77   1HB   LEU  12           HB2      LEU  12   2.527  -2.026  -0.139
   78   2HB   LEU  12           HB1      LEU  12   2.941  -3.486  -1.028
   79    HG   LEU  12           HG       LEU  12   2.484  -3.745   1.918
   80   1HD1  LEU  12          HD11      LEU  12   0.268  -3.455  -0.142
   81   2HD1  LEU  12          HD13      LEU  12   0.041  -3.957   1.531
   82   3HD1  LEU  12          HD12      LEU  12   0.602  -2.328   1.169
   83   1HD2  LEU  12          HD22      LEU  12   3.168  -5.612   0.296
   84   2HD2  LEU  12          HD21      LEU  12   1.749  -5.940   1.284
   85   3HD2  LEU  12          HD23      LEU  12   1.558  -5.465  -0.400
   86    H    SER  13           HN       SER  13   4.529  -3.841  -1.878
   87    HA   SER  13           HA       SER  13   6.938  -2.258  -2.573
   88   1HB   SER  13           HB2      SER  13   6.146  -4.037  -4.682
   89   2HB   SER  13           HB1      SER  13   7.551  -4.185  -3.610
   90    HG   SER  13           HG1      SER  13   6.349  -5.276  -2.157
   91    HA   PRO  14           HA       PRO  14   5.033   0.585  -5.295
   92   1HB   PRO  14           HB2      PRO  14   6.304  -0.322  -7.744
   93   2HB   PRO  14           HB1      PRO  14   6.598   1.158  -6.830
   94   1HG   PRO  14           HG2      PRO  14   8.284  -1.177  -6.947
   95   2HG   PRO  14           HG1      PRO  14   8.537   0.271  -5.971
   96   1HD   PRO  14           HD1      PRO  14   7.778  -2.347  -5.054
   97   2HD   PRO  14           HD2      PRO  14   7.982  -0.882  -4.081
   98    H    ALA  15           HN       ALA  15   5.102  -2.780  -6.179
   99    HA   ALA  15           HA       ALA  15   3.143  -2.728  -8.263
  100   1HB   ALA  15           HB3      ALA  15   4.593  -4.701  -6.819
  101   2HB   ALA  15           HB2      ALA  15   2.887  -5.122  -6.696
  102   3HB   ALA  15           HB1      ALA  15   3.635  -4.926  -8.278
  103    H    ILE  16           HN       ILE  16   2.869  -1.755  -5.147
  104    HA   ILE  16           HA       ILE  16   0.512  -2.775  -4.078
  105    HB   ILE  16           HB       ILE  16   2.003  -0.960  -3.095
  106   1HG1  ILE  16          HG12      ILE  16  -1.019  -0.652  -3.130
  107   2HG1  ILE  16          HG11      ILE  16  -0.050  -1.515  -1.941
  108   1HG2  ILE  16          HG21      ILE  16   1.754   0.422  -5.280
  109   2HG2  ILE  16          HG23      ILE  16   0.210   0.940  -4.610
  110   3HG2  ILE  16          HG22      ILE  16   1.706   1.295  -3.751
  111   1HD1  ILE  16           HD2      ILE  16   1.110   0.784  -1.543
  112   2HD1  ILE  16           HD1      ILE  16  -0.289   1.465  -2.368
  113   3HD1  ILE  16           HD3      ILE  16  -0.504   0.548  -0.880
  114    NH1  ARG  17           NH1      ARG  17  -0.050   4.934 -10.513
  115    NH2  ARG  17           NH2      ARG  17   2.052   5.545  -9.858
  116    H    ARG  17           HN       ARG  17   0.926  -0.845  -6.914
  117    HA   ARG  17           HA       ARG  17  -1.787   0.104  -7.147
  118   1HB   ARG  17           HB2      ARG  17   0.419  -0.325  -9.170
  119   2HB   ARG  17           HB1      ARG  17  -1.149   0.350  -9.602
  120   1HG   ARG  17           HG2      ARG  17  -0.827   2.141  -7.906
  121   2HG   ARG  17           HG1      ARG  17   0.760   1.481  -7.527
  122   1HD   ARG  17           HD2      ARG  17   1.474   1.849  -9.871
  123   2HD   ARG  17           HD1      ARG  17  -0.115   2.512 -10.250
  124    HE   ARG  17           HE       ARG  17   1.390   3.831  -8.067
  125   1HH1  ARG  17          HH11      ARG  17  -0.820   4.300 -10.439
  126   2HH1  ARG  17          HH12      ARG  17  -0.102   5.713 -11.138
  127   1HH2  ARG  17          HH21      ARG  17   2.857   5.369  -9.293
  128   2HH2  ARG  17          HH22      ARG  17   2.034   6.335 -10.473
  129    NH1  ARG  18           NH1      ARG  18   1.014  -6.719 -12.921
  130    NH2  ARG  18           NH2      ARG  18  -1.120  -7.498 -13.166
  131    H    ARG  18           HN       ARG  18  -0.093  -2.772  -8.290
  132    HA   ARG  18           HA       ARG  18  -2.387  -3.801  -9.754
  133   1HB   ARG  18           HB2      ARG  18   0.254  -4.964  -8.884
  134   2HB   ARG  18           HB1      ARG  18  -0.968  -5.968  -9.651
  135   1HG   ARG  18           HG2      ARG  18   0.066  -3.370 -10.848
  136   2HG   ARG  18           HG1      ARG  18   0.733  -4.946 -11.249
  137   1HD   ARG  18           HD2      ARG  18  -2.052  -5.262 -11.546
  138   2HD   ARG  18           HD1      ARG  18  -1.701  -3.680 -12.236
  139    HE   ARG  18           HE       ARG  18  -0.653  -4.802 -14.015
  140   1HH1  ARG  18          HH11      ARG  18   1.641  -5.941 -12.861
  141   2HH1  ARG  18          HH12      ARG  18   1.368  -7.652 -12.856
  142   1HH2  ARG  18          HH21      ARG  18  -2.093  -7.305 -13.290
  143   2HH2  ARG  18          HH22      ARG  18  -0.801  -8.444 -13.105
  144    H    LEU  19           HN       LEU  19  -1.347  -3.824  -6.485
  145    HA   LEU  19           HA       LEU  19  -2.406  -6.186  -5.435
  146   1HB   LEU  19           HB2      LEU  19  -1.230  -4.347  -4.158
  147   2HB   LEU  19           HB1      LEU  19  -2.748  -3.459  -4.162
  148    HG   LEU  19           HG       LEU  19  -3.627  -5.866  -3.254
  149   1HD1  LEU  19          HD11      LEU  19  -1.279  -6.758  -3.307
  150   2HD1  LEU  19          HD13      LEU  19  -0.835  -5.542  -2.113
  151   3HD1  LEU  19          HD12      LEU  19  -1.998  -6.798  -1.701
  152   1HD2  LEU  19          HD22      LEU  19  -2.383  -3.599  -1.669
  153   2HD2  LEU  19          HD21      LEU  19  -4.071  -3.752  -2.145
  154   3HD2  LEU  19          HD23      LEU  19  -3.389  -4.856  -0.955
  155    H    LEU  20           HN       LEU  20  -4.103  -3.287  -6.473
  156    HA   LEU  20           HA       LEU  20  -6.687  -4.035  -5.451
  157   1HB   LEU  20           HB2      LEU  20  -5.857  -2.204  -7.713
  158   2HB   LEU  20           HB1      LEU  20  -7.523  -2.379  -7.174
  159    HG   LEU  20           HG       LEU  20  -5.457  -1.850  -5.080
  160   1HD1  LEU  20          HD12      LEU  20  -6.520   0.257  -6.995
  161   2HD1  LEU  20          HD11      LEU  20  -5.613   0.595  -5.524
  162   3HD1  LEU  20          HD13      LEU  20  -4.841  -0.257  -6.858
  163   1HD2  LEU  20          HD22      LEU  20  -7.862  -2.187  -4.545
  164   2HD2  LEU  20          HD21      LEU  20  -7.331  -0.563  -4.119
  165   3HD2  LEU  20          HD23      LEU  20  -8.274  -0.825  -5.583
  166    H    ALA  21           HN       ALA  21  -4.914  -4.839  -8.339
  167    HA   ALA  21           HA       ALA  21  -7.271  -6.112  -9.580
  168   1HB   ALA  21           HB2      ALA  21  -4.382  -5.989 -10.486
  169   2HB   ALA  21           HB1      ALA  21  -5.722  -6.618 -11.438
  170   3HB   ALA  21           HB3      ALA  21  -5.669  -4.910 -11.012
  171    H    GLU  22           HN       GLU  22  -4.568  -6.952  -7.617
  172    HA   GLU  22           HA       GLU  22  -4.398  -9.743  -8.304
  173   1HB   GLU  22           HB2      GLU  22  -2.730  -8.298  -6.954
  174   2HB   GLU  22           HB1      GLU  22  -3.770  -8.631  -5.573
  175   1HG   GLU  22           HG2      GLU  22  -2.478 -10.508  -5.361
  176   2HG   GLU  22           HG1      GLU  22  -3.511 -11.140  -6.639
  177    H    HIS  23           HN       HIS  23  -6.160  -7.978  -5.787
  178    HA   HIS  23           HA       HIS  23  -7.595 -10.486  -5.066
  179   1HB   HIS  23           HB2      HIS  23  -7.711  -7.783  -3.704
  180   2HB   HIS  23           HB1      HIS  23  -8.310  -9.314  -3.070
  181    HD1  HIS  23           HD1      HIS  23  -6.077 -11.111  -3.329
  182    HD2  HIS  23           HD2      HIS  23  -5.367  -7.215  -2.445
  183    HE1  HIS  23           HE1      HIS  23  -3.873 -11.094  -2.311
  184    H    ASN  24           HN       ASN  24  -7.987  -8.666  -7.489
  185    HA   ASN  24           HA       ASN  24  -9.769  -7.599  -8.628
  186   1HB   ASN  24           HB2      ASN  24 -11.810  -9.062  -8.655
  187   2HB   ASN  24           HB1      ASN  24 -10.312  -9.939  -8.950
  188   1HD2  ASN  24          HD22      ASN  24 -10.663 -11.976  -6.106
  189   2HD2  ASN  24          HD21      ASN  24  -9.804 -11.632  -7.530
  190    H    LEU  25           HN       LEU  25  -9.322  -6.397  -6.120
  191    HA   LEU  25           HA       LEU  25 -12.043  -5.952  -5.013
  192   1HB   LEU  25           HB2      LEU  25  -9.260  -5.515  -4.039
  193   2HB   LEU  25           HB1      LEU  25 -10.503  -4.430  -3.433
  194    HG   LEU  25           HG       LEU  25 -10.767  -7.458  -3.397
  195   1HD1  LEU  25          HD12      LEU  25  -8.843  -6.624  -2.005
  196   2HD1  LEU  25          HD11      LEU  25  -9.980  -5.618  -1.114
  197   3HD1  LEU  25          HD13      LEU  25 -10.120  -7.373  -1.052
  198   1HD2  LEU  25          HD22      LEU  25 -12.570  -5.269  -2.841
  199   2HD2  LEU  25          HD21      LEU  25 -12.887  -6.997  -2.757
  200   3HD2  LEU  25          HD23      LEU  25 -12.253  -6.149  -1.351
  201    H    ASP  26           HN       ASP  26 -13.203  -4.307  -5.782
  202    HA   ASP  26           HA       ASP  26 -11.956  -2.242  -7.437
  203   1HB   ASP  26           HB2      ASP  26 -14.701  -3.113  -6.771
  204   2HB   ASP  26           HB1      ASP  26 -14.521  -1.389  -7.086
  205    H    ALA  27           HN       ALA  27 -10.867  -0.645  -6.463
  206    HA   ALA  27           HA       ALA  27 -11.106   0.163  -3.767
  207   1HB   ALA  27           HB2      ALA  27  -9.880   1.260  -6.216
  208   2HB   ALA  27           HB1      ALA  27 -10.270   2.462  -4.989
  209   3HB   ALA  27           HB3      ALA  27  -9.211   1.112  -4.594
  210    H    SER  28           HN       SER  28 -13.076   0.902  -6.499
  211    HA   SER  28           HA       SER  28 -14.243   3.355  -5.781
  212   1HB   SER  28           HB2      SER  28 -14.705   1.908  -7.868
  213   2HB   SER  28           HB1      SER  28 -15.898   1.066  -6.860
  214    HG   SER  28           HG1      SER  28 -15.717   3.853  -7.369
  215    H    ALA  29           HN       ALA  29 -14.443   0.322  -4.201
  216    HA   ALA  29           HA       ALA  29 -16.852   1.129  -2.666
  217   1HB   ALA  29           HB2      ALA  29 -15.398  -1.417  -3.157
  218   2HB   ALA  29           HB1      ALA  29 -16.182  -1.246  -1.589
  219   3HB   ALA  29           HB3      ALA  29 -17.131  -1.113  -3.066
  220    H    ILE  30           HN       ILE  30 -13.428   1.041  -2.416
  221    HA   ILE  30           HA       ILE  30 -13.493   1.234   0.537
  222    HB   ILE  30           HB       ILE  30 -11.089   1.402  -1.300
  223   1HG1  ILE  30          HG12      ILE  30 -12.217  -0.691  -1.779
  224   2HG1  ILE  30          HG11      ILE  30 -10.819  -1.055  -0.780
  225   1HG2  ILE  30          HG22      ILE  30 -11.505   1.257   1.652
  226   2HG2  ILE  30          HG21      ILE  30 -10.209   0.263   1.007
  227   3HG2  ILE  30          HG23      ILE  30 -10.202   1.999   0.737
  228   1HD1  ILE  30           HD2      ILE  30 -12.493  -0.825   1.222
  229   2HD1  ILE  30           HD1      ILE  30 -13.736  -1.027  -0.008
  230   3HD1  ILE  30           HD3      ILE  30 -12.540  -2.290   0.250
  231    H    LYS  31           HN       LYS  31 -12.034   2.992   1.487
  232    HA   LYS  31           HA       LYS  31 -12.882   5.567   0.288
  233   1HB   LYS  31           HB2      LYS  31 -11.705   4.853   2.982
  234   2HB   LYS  31           HB1      LYS  31 -12.052   6.504   2.482
  235   1HG   LYS  31           HG2      LYS  31 -14.303   6.236   2.731
  236   2HG   LYS  31           HG1      LYS  31 -14.282   4.620   2.035
  237   1HD   LYS  31           HD2      LYS  31 -13.158   5.158   4.792
  238   2HD   LYS  31           HD1      LYS  31 -14.869   4.824   4.551
  239   1HE   LYS  31           HE2      LYS  31 -13.067   2.955   3.144
  240   2HE   LYS  31           HE1      LYS  31 -12.942   2.891   4.896
  241   1HZ   LYS  31           HZ3      LYS  31 -15.539   2.897   4.705
  242   2HZ   LYS  31           HZ2      LYS  31 -15.210   2.251   3.169
  243   3HZ   LYS  31           HZ1      LYS  31 -14.646   1.458   4.561
  244    H    GLY  32           HN       GLY  32 -11.389   7.294  -0.033
  245   1HA   GLY  32           HA2      GLY  32  -8.510   6.689   0.097
  246   2HA   GLY  32           HA1      GLY  32  -9.160   6.898  -1.527
  247    H    THR  33           HN       THR  33  -9.676   8.560   1.582
  248    HA   THR  33           HA       THR  33 -10.014  11.141   0.411
  249    HB   THR  33           HB       THR  33  -9.797  11.995   2.717
  250    HG1  THR  33           HG1      THR  33  -9.130  10.047   4.148
  251   1HG2  THR  33          HG22      THR  33 -11.496   9.809   2.027
  252   2HG2  THR  33          HG21      THR  33 -10.832   9.447   3.618
  253   3HG2  THR  33          HG23      THR  33 -11.721  10.945   3.354
  254    H    GLY  34           HN       GLY  34  -7.319   9.274   0.404
  255   1HA   GLY  34           HA2      GLY  34  -5.141  10.822   1.165
  256   2HA   GLY  34           HA1      GLY  34  -5.116   9.790  -0.262
  257    H    VAL  35           HN       VAL  35  -3.612  11.990  -0.403
  258    HA   VAL  35           HA       VAL  35  -4.803  14.410  -1.250
  259    HB   VAL  35           HB       VAL  35  -2.192  13.068  -1.914
  260   1HG1  VAL  35          HG11      VAL  35  -3.426  15.535  -3.126
  261   2HG1  VAL  35          HG13      VAL  35  -1.682  15.451  -2.897
  262   3HG1  VAL  35          HG12      VAL  35  -2.495  14.266  -3.914
  263   1HG2  VAL  35          HG22      VAL  35  -2.770  14.225   0.328
  264   2HG2  VAL  35          HG21      VAL  35  -1.283  14.728  -0.470
  265   3HG2  VAL  35          HG23      VAL  35  -2.726  15.730  -0.582
  266    H    GLY  36           HN       GLY  36  -5.721  15.091  -3.120
  267   1HA   GLY  36           HA2      GLY  36  -6.826  14.877  -5.184
  268   2HA   GLY  36           HA1      GLY  36  -5.348  14.075  -5.707
  269    H    GLY  37           HN       GLY  37  -7.558  12.976  -3.190
  270   1HA   GLY  37           HA2      GLY  37  -8.789  10.986  -3.009
  271   2HA   GLY  37           HA1      GLY  37  -9.068  11.137  -4.741
  272    NH1  ARG  38           NH1      ARG  38  -0.129   5.974  -5.592
  273    NH2  ARG  38           NH2      ARG  38   0.327   8.018  -6.506
  274    H    ARG  38           HN       ARG  38  -5.906  10.852  -3.239
  275    HA   ARG  38           HA       ARG  38  -5.280   8.561  -4.945
  276   1HB   ARG  38           HB2      ARG  38  -3.574  10.264  -4.459
  277   2HB   ARG  38           HB1      ARG  38  -3.676   9.888  -2.743
  278   1HG   ARG  38           HG2      ARG  38  -2.624   7.824  -2.994
  279   2HG   ARG  38           HG1      ARG  38  -3.135   7.652  -4.670
  280   1HD   ARG  38           HD2      ARG  38  -1.527   9.319  -5.398
  281   2HD   ARG  38           HD1      ARG  38  -1.122   9.723  -3.730
  282    HE   ARG  38           HE       ARG  38   0.023   7.579  -3.543
  283   1HH1  ARG  38          HH11      ARG  38  -0.433   5.437  -4.805
  284   2HH1  ARG  38          HH12      ARG  38   0.124   5.515  -6.443
  285   1HH2  ARG  38          HH21      ARG  38   0.366   9.012  -6.405
  286   2HH2  ARG  38          HH22      ARG  38   0.588   7.592  -7.373
  287    H    LEU  39           HN       LEU  39  -5.213   6.449  -4.374
  288    HA   LEU  39           HA       LEU  39  -6.371   5.719  -1.765
  289   1HB   LEU  39           HB2      LEU  39  -6.993   4.627  -3.983
  290   2HB   LEU  39           HB1      LEU  39  -5.418   3.843  -3.933
  291    HG   LEU  39           HG       LEU  39  -6.271   3.287  -1.422
  292   1HD1  LEU  39          HD13      LEU  39  -8.455   4.460  -1.922
  293   2HD1  LEU  39          HD12      LEU  39  -8.778   3.223  -3.134
  294   3HD1  LEU  39          HD11      LEU  39  -8.646   2.779  -1.435
  295   1HD2  LEU  39          HD21      LEU  39  -6.977   1.767  -3.958
  296   2HD2  LEU  39          HD23      LEU  39  -5.466   1.641  -3.063
  297   3HD2  LEU  39          HD22      LEU  39  -6.966   1.072  -2.339
  298    H    THR  40           HN       THR  40  -5.225   5.075  -0.051
  299    HA   THR  40           HA       THR  40  -2.295   4.700  -0.384
  300    HB   THR  40           HB       THR  40  -2.118   5.200   1.976
  301    HG1  THR  40           HG1      THR  40  -3.715   4.568   3.237
  302   1HG2  THR  40          HG22      THR  40  -3.227   7.063   0.371
  303   2HG2  THR  40          HG21      THR  40  -4.610   6.772   1.421
  304   3HG2  THR  40          HG23      THR  40  -3.085   7.324   2.106
  305    NH1  ARG  41           NH1      ARG  41   1.446   0.071   5.631
  306    NH2  ARG  41           NH2      ARG  41   0.523  -1.786   6.589
  307    H    ARG  41           HN       ARG  41  -2.708   3.310   2.403
  308    HA   ARG  41           HA       ARG  41  -3.287   0.582   1.298
  309   1HB   ARG  41           HB2      ARG  41  -0.834   1.093   1.768
  310   2HB   ARG  41           HB1      ARG  41  -1.273   1.181   3.470
  311   1HG   ARG  41           HG2      ARG  41  -2.381  -1.145   3.076
  312   2HG   ARG  41           HG1      ARG  41  -1.400  -1.198   1.617
  313   1HD   ARG  41           HD2      ARG  41  -0.133  -2.257   3.396
  314   2HD   ARG  41           HD1      ARG  41   0.622  -0.700   3.061
  315    HE   ARG  41           HE       ARG  41  -1.368  -0.465   5.148
  316   1HH1  ARG  41          HH11      ARG  41   1.400   0.790   4.936
  317   2HH1  ARG  41          HH12      ARG  41   2.213   0.044   6.271
  318   1HH2  ARG  41          HH21      ARG  41  -0.215  -2.460   6.614
  319   2HH2  ARG  41          HH22      ARG  41   1.275  -1.845   7.246
  320    H    GLU  42           HN       GLU  42  -2.949   2.395   4.343
  321    HA   GLU  42           HA       GLU  42  -4.329   0.659   6.050
  322   1HB   GLU  42           HB2      GLU  42  -3.292   3.190   6.277
  323   2HB   GLU  42           HB1      GLU  42  -5.018   3.490   6.453
  324   1HG   GLU  42           HG2      GLU  42  -5.031   1.539   8.127
  325   2HG   GLU  42           HG1      GLU  42  -3.274   1.647   8.106
  326    H    ASP  43           HN       ASP  43  -5.543   2.315   3.356
  327    HA   ASP  43           HA       ASP  43  -8.316   2.462   4.293
  328   1HB   ASP  43           HB2      ASP  43  -7.334   2.675   1.441
  329   2HB   ASP  43           HB1      ASP  43  -8.820   3.333   2.121
  330    H    VAL  44           HN       VAL  44  -6.347   0.310   2.340
  331    HA   VAL  44           HA       VAL  44  -8.695  -1.391   1.731
  332    HB   VAL  44           HB       VAL  44  -5.789  -1.498   0.902
  333   1HG1  VAL  44          HG11      VAL  44  -8.011  -3.508   0.640
  334   2HG1  VAL  44          HG13      VAL  44  -6.834  -3.354  -0.661
  335   3HG1  VAL  44          HG12      VAL  44  -6.302  -3.781   0.961
  336   1HG2  VAL  44          HG22      VAL  44  -7.328   0.177  -0.176
  337   2HG2  VAL  44          HG21      VAL  44  -6.704  -1.020  -1.306
  338   3HG2  VAL  44          HG23      VAL  44  -8.350  -1.160  -0.695
  339    H    GLU  45           HN       GLU  45  -6.157  -1.147   4.007
  340    HA   GLU  45           HA       GLU  45  -5.766  -3.889   4.688
  341   1HB   GLU  45           HB2      GLU  45  -4.546  -1.709   5.502
  342   2HB   GLU  45           HB1      GLU  45  -5.747  -1.748   6.788
  343   1HG   GLU  45           HG2      GLU  45  -5.084  -4.162   7.206
  344   2HG   GLU  45           HG1      GLU  45  -3.751  -3.921   6.079
  345    H    LYS  46           HN       LYS  46  -8.008  -1.482   6.037
  346    HA   LYS  46           HA       LYS  46  -9.285  -3.417   7.791
  347   1HB   LYS  46           HB2      LYS  46 -10.106  -0.646   6.890
  348   2HB   LYS  46           HB1      LYS  46 -10.981  -1.585   8.094
  349   1HG   LYS  46           HG2      LYS  46  -8.152  -1.578   8.710
  350   2HG   LYS  46           HG1      LYS  46  -8.733   0.073   8.531
  351   1HD   LYS  46           HD2      LYS  46 -10.596  -0.427  10.100
  352   2HD   LYS  46           HD1      LYS  46  -9.974  -2.061  10.301
  353   1HE   LYS  46           HE2      LYS  46  -8.648   0.541  11.101
  354   2HE   LYS  46           HE1      LYS  46  -9.105  -0.799  12.144
  355   1HZ   LYS  46           HZ3      LYS  46  -7.461  -2.177  11.037
  356   2HZ   LYS  46           HZ2      LYS  46  -7.015  -0.875  10.041
  357   3HZ   LYS  46           HZ1      LYS  46  -6.742  -0.796  11.716
  358    H    HIS  47           HN       HIS  47  -9.175  -4.143   4.959
  359    HA   HIS  47           HA       HIS  47 -12.067  -4.704   4.620
  360   1HB   HIS  47           HB2      HIS  47 -11.135  -2.617   3.261
  361   2HB   HIS  47           HB1      HIS  47 -10.570  -3.881   2.172
  362    HD1  HIS  47           HD1      HIS  47 -13.650  -2.361   3.374
  363    HD2  HIS  47           HD2      HIS  47 -12.606  -5.413   0.914
  364    HE1  HIS  47           HE1      HIS  47 -15.692  -2.941   2.201
  365    H    LEU  48           HN       LEU  48  -9.105  -5.915   4.903
  366    HA   LEU  48           HA       LEU  48  -9.354  -7.956   2.760
  367   1HB   LEU  48           HB2      LEU  48  -7.157  -7.010   4.543
  368   2HB   LEU  48           HB1      LEU  48  -7.098  -8.682   3.994
  369    HG   LEU  48           HG       LEU  48  -7.669  -6.504   2.000
  370   1HD1  LEU  48          HD12      LEU  48  -4.961  -7.270   3.136
  371   2HD1  LEU  48          HD11      LEU  48  -5.160  -6.440   1.595
  372   3HD1  LEU  48          HD13      LEU  48  -5.679  -5.664   3.089
  373   1HD2  LEU  48          HD22      LEU  48  -7.625  -9.176   1.751
  374   2HD2  LEU  48          HD21      LEU  48  -7.069  -8.122   0.455
  375   3HD2  LEU  48          HD23      LEU  48  -5.904  -8.873   1.540
  376    H    ALA  49           HN       ALA  49  -8.382 -10.195   3.770
  377    HA   ALA  49           HA       ALA  49 -10.448 -11.489   5.082
  378   1HB   ALA  49           HB1      ALA  49  -8.317 -12.512   4.128
  379   2HB   ALA  49           HB3      ALA  49  -7.553 -12.124   5.665
  380   3HB   ALA  49           HB2      ALA  49  -8.913 -13.240   5.616
  381    H    LYS  50           HN       LYS  50 -11.006 -11.945   7.211
  382    HA   LYS  50           HA       LYS  50 -10.299  -9.877   9.149
  383   1HB   LYS  50           HB2      LYS  50 -11.919 -12.385   9.628
  384   2HB   LYS  50           HB1      LYS  50 -11.956 -10.898  10.567
  385   1HG   LYS  50           HG2      LYS  50 -12.726  -9.695   8.480
  386   2HG   LYS  50           HG1      LYS  50 -12.866 -11.264   7.695
  387   1HD   LYS  50           HD2      LYS  50 -14.374 -11.964   9.630
  388   2HD   LYS  50           HD1      LYS  50 -14.387 -10.275  10.123
  389   1HE   LYS  50           HE2      LYS  50 -15.628 -11.562   7.731
  390   2HE   LYS  50           HE1      LYS  50 -16.239 -10.257   8.738
  391   1HZ   LYS  50           HZ3      LYS  50 -14.229  -8.987   7.717
  392   2HZ   LYS  50           HZ2      LYS  50 -14.371 -10.148   6.485
  393   3HZ   LYS  50           HZ1      LYS  50 -15.684  -9.136   6.854
  394    H    ALA  51           HN       ALA  51  -8.192 -10.091   9.805
  395    HA   ALA  51           HA       ALA  51  -7.610 -12.212  11.705
  396   1HB   ALA  51           HB3      ALA  51  -6.421 -12.278   8.951
  397   2HB   ALA  51           HB2      ALA  51  -5.471 -12.849  10.318
  398   3HB   ALA  51           HB1      ALA  51  -7.011 -13.611   9.937
   
 Raw file had 398 H/Q atoms
  Start of MODEL   35
    1    OH   TYR   1           OH       TYR   1  19.063  15.785 -23.008
    2   1H    TYR   1           HT3      TYR   1  22.681  11.411 -17.716
    3   2H    TYR   1           HT2      TYR   1  22.633  12.434 -19.072
    4   3H    TYR   1           HT1      TYR   1  21.914  12.922 -17.612
    5    HA   TYR   1           HA       TYR   1  20.013  12.163 -18.436
    6   1HB   TYR   1           HB2      TYR   1  21.841  10.940 -20.470
    7   2HB   TYR   1           HB1      TYR   1  20.179  10.360 -20.371
    8    HD1  TYR   1           HD1      TYR   1  18.326  12.220 -20.317
    9    HD2  TYR   1           HD2      TYR   1  22.293  12.896 -21.695
   10    HE1  TYR   1           HE1      TYR   1  17.562  14.200 -21.544
   11    HE2  TYR   1           HE2      TYR   1  21.529  14.876 -22.922
   12    HH   TYR   1           HH       TYR   1  18.722  15.494 -23.856
   13    H    ALA   2           HN       ALA   2  22.349  10.416 -16.947
   14    HA   ALA   2           HA       ALA   2  20.776   7.904 -16.785
   15   1HB   ALA   2           HB3      ALA   2  23.509   8.674 -15.736
   16   2HB   ALA   2           HB2      ALA   2  22.752   7.115 -15.427
   17   3HB   ALA   2           HB1      ALA   2  23.149   7.588 -17.075
   18    H    SER   3           HN       SER   3  19.066   9.258 -15.670
   19    HA   SER   3           HA       SER   3  19.424   8.946 -12.754
   20   1HB   SER   3           HB2      SER   3  18.264  11.372 -12.654
   21   2HB   SER   3           HB1      SER   3  20.030  11.199 -12.714
   22    HG   SER   3           HG1      SER   3  18.466  12.324 -14.514
   23    H    LEU   4           HN       LEU   4  17.880   7.227 -13.375
   24    HA   LEU   4           HA       LEU   4  15.164   8.177 -14.084
   25   1HB   LEU   4           HB2      LEU   4  16.331   5.405 -13.746
   26   2HB   LEU   4           HB1      LEU   4  14.644   5.715 -14.141
   27    HG   LEU   4           HG       LEU   4  16.595   7.170 -15.826
   28   1HD1  LEU   4          HD11      LEU   4  16.303   4.148 -15.973
   29   2HD1  LEU   4          HD13      LEU   4  17.095   5.146 -17.187
   30   3HD1  LEU   4          HD12      LEU   4  17.777   5.022 -15.569
   31   1HD2  LEU   4          HD23      LEU   4  14.118   7.128 -16.175
   32   2HD2  LEU   4          HD22      LEU   4  15.000   6.507 -17.567
   33   3HD2  LEU   4          HD21      LEU   4  14.211   5.392 -16.454
   34    H    GLU   5           HN       GLU   5  16.618   6.086 -11.590
   35    HA   GLU   5           HA       GLU   5  14.254   6.525  -9.874
   36   1HB   GLU   5           HB2      GLU   5  15.712   4.961  -8.325
   37   2HB   GLU   5           HB1      GLU   5  14.891   4.291  -9.725
   38   1HG   GLU   5           HG2      GLU   5  17.321   3.611  -9.533
   39   2HG   GLU   5           HG1      GLU   5  16.916   4.399 -11.055
   40    H    GLU   6           HN       GLU   6  15.665   8.858 -10.332
   41    HA   GLU   6           HA       GLU   6  17.387   9.307  -7.968
   42   1HB   GLU   6           HB2      GLU   6  17.888  10.241 -10.293
   43   2HB   GLU   6           HB1      GLU   6  16.550  11.352 -10.028
   44   1HG   GLU   6           HG2      GLU   6  17.964  11.584  -7.668
   45   2HG   GLU   6           HG1      GLU   6  19.252  11.364  -8.850
   46    H    GLN   7           HN       GLN   7  14.759  11.224  -9.409
   47    HA   GLN   7           HA       GLN   7  13.917  11.991  -6.659
   48   1HB   GLN   7           HB2      GLN   7  12.936  13.120  -9.287
   49   2HB   GLN   7           HB1      GLN   7  12.754  13.827  -7.685
   50   1HG   GLN   7           HG2      GLN   7  15.501  13.422  -7.898
   51   2HG   GLN   7           HG1      GLN   7  15.039  13.948  -9.515
   52   1HE2  GLN   7          HE22      GLN   7  14.049  16.513  -6.447
   53   2HE2  GLN   7          HE21      GLN   7  13.842  14.842  -6.230
   54    H    ASN   8           HN       ASN   8  11.254  12.708  -7.422
   55    HA   ASN   8           HA       ASN   8   9.125  11.710  -7.318
   56   1HB   ASN   8           HB2      ASN   8  10.553  10.168  -9.477
   57   2HB   ASN   8           HB1      ASN   8   8.888   9.788  -9.044
   58   1HD2  ASN   8          HD22      ASN   8   9.513  13.632 -10.378
   59   2HD2  ASN   8          HD21      ASN   8  10.607  12.949  -9.274
   60    H    ASN   9           HN       ASN   9  10.124   8.586  -8.218
   61    HA   ASN   9           HA       ASN   9  10.049   6.558  -7.025
   62   1HB   ASN   9           HB2      ASN   9  11.612   8.422  -5.263
   63   2HB   ASN   9           HB1      ASN   9  11.228   6.802  -4.692
   64   1HD2  ASN   9          HD22      ASN   9  14.364   6.164  -6.362
   65   2HD2  ASN   9          HD21      ASN   9  13.729   6.655  -4.866
   66    H    ASP  10           HN       ASP  10   7.841   6.297  -6.741
   67    HA   ASP  10           HA       ASP  10   6.106   7.639  -5.029
   68   1HB   ASP  10           HB2      ASP  10   6.131   4.644  -5.497
   69   2HB   ASP  10           HB1      ASP  10   4.745   5.606  -4.991
   70    H    ALA  11           HN       ALA  11   5.773   7.743  -2.875
   71    HA   ALA  11           HA       ALA  11   7.791   6.875  -1.050
   72   1HB   ALA  11           HB1      ALA  11   5.248   8.288  -0.916
   73   2HB   ALA  11           HB3      ALA  11   5.489   7.241   0.478
   74   3HB   ALA  11           HB2      ALA  11   6.681   8.476   0.089
   75    H    LEU  12           HN       LEU  12   4.782   5.424  -2.103
   76    HA   LEU  12           HA       LEU  12   4.844   3.321  -0.076
   77   1HB   LEU  12           HB2      LEU  12   3.291   3.048  -2.626
   78   2HB   LEU  12           HB1      LEU  12   2.839   2.578  -0.992
   79    HG   LEU  12           HG       LEU  12   2.992   5.412  -2.077
   80   1HD1  LEU  12          HD11      LEU  12   0.985   4.043  -2.698
   81   2HD1  LEU  12          HD13      LEU  12   0.665   3.799  -0.984
   82   3HD1  LEU  12          HD12      LEU  12   0.584   5.416  -1.672
   83   1HD2  LEU  12          HD21      LEU  12   2.775   4.290   0.701
   84   2HD2  LEU  12          HD23      LEU  12   3.651   5.714   0.144
   85   3HD2  LEU  12          HD22      LEU  12   1.900   5.767   0.314
   86    H    SER  13           HN       SER  13   4.288   1.038  -1.585
   87    HA   SER  13           HA       SER  13   6.985   0.493  -2.668
   88   1HB   SER  13           HB2      SER  13   6.753  -1.628  -1.841
   89   2HB   SER  13           HB1      SER  13   5.361  -0.969  -0.959
   90    HG   SER  13           HG1      SER  13   5.216  -2.796  -2.738
   91    HA   PRO  14           HA       PRO  14   5.524   0.407  -6.871
   92   1HB   PRO  14           HB2      PRO  14   7.061  -1.816  -7.748
   93   2HB   PRO  14           HB1      PRO  14   7.464  -0.108  -7.919
   94   1HG   PRO  14           HG2      PRO  14   8.620  -2.083  -6.076
   95   2HG   PRO  14           HG1      PRO  14   9.185  -0.449  -6.430
   96   1HD   PRO  14           HD1      PRO  14   7.886  -1.308  -4.044
   97   2HD   PRO  14           HD2      PRO  14   8.245   0.363  -4.521
   98    H    ALA  15           HN       ALA  15   5.792  -2.678  -5.173
   99    HA   ALA  15           HA       ALA  15   3.964  -4.091  -6.927
  100   1HB   ALA  15           HB3      ALA  15   5.624  -4.710  -4.661
  101   2HB   ALA  15           HB2      ALA  15   4.009  -5.358  -4.397
  102   3HB   ALA  15           HB1      ALA  15   4.914  -5.811  -5.838
  103    H    ILE  16           HN       ILE  16   3.211  -1.524  -5.302
  104    HA   ILE  16           HA       ILE  16   0.941  -2.469  -3.711
  105    HB   ILE  16           HB       ILE  16   2.277  -0.345  -3.255
  106   1HG1  ILE  16          HG12      ILE  16  -0.744  -0.308  -3.530
  107   2HG1  ILE  16          HG11      ILE  16   0.189  -0.708  -2.094
  108   1HG2  ILE  16          HG23      ILE  16   2.068   0.278  -5.778
  109   2HG2  ILE  16          HG22      ILE  16   0.479   0.890  -5.334
  110   3HG2  ILE  16          HG21      ILE  16   1.924   1.566  -4.589
  111   1HD1  ILE  16           HD1      ILE  16   1.174   1.710  -2.384
  112   2HD1  ILE  16           HD3      ILE  16  -0.261   1.985  -3.363
  113   3HD1  ILE  16           HD2      ILE  16  -0.425   1.519  -1.673
  114    NH1  ARG  17           NH2      ARG  17   1.908   0.766 -12.814
  115    NH2  ARG  17           NH1      ARG  17   3.833  -0.406 -12.434
  116    H    ARG  17           HN       ARG  17   1.506  -1.434  -6.973
  117    HA   ARG  17           HA       ARG  17  -1.263  -0.839  -7.609
  118   1HB   ARG  17           HB2      ARG  17   0.897  -1.663  -9.556
  119   2HB   ARG  17           HB1      ARG  17  -0.529  -0.687  -9.885
  120   1HG   ARG  17           HG2      ARG  17   0.337   1.055  -8.323
  121   2HG   ARG  17           HG1      ARG  17   1.787   0.088  -8.085
  122   1HD   ARG  17           HD2      ARG  17   0.836   1.357 -10.666
  123   2HD   ARG  17           HD1      ARG  17   2.322   1.707  -9.785
  124    HE   ARG  17           HE       ARG  17   2.493  -1.007 -10.374
  125   1HH1  ARG  17          HH21      ARG  17   1.038   1.117 -12.468
  126   2HH1  ARG  17          HH22      ARG  17   2.178   0.941 -13.759
  127   1HH2  ARG  17          HH11      ARG  17   4.405  -0.932 -11.805
  128   2HH2  ARG  17          HH12      ARG  17   4.136  -0.250 -13.374
  129    NH1  ARG  18           NH1      ARG  18   3.286  -8.907  -8.911
  130    NH2  ARG  18           NH2      ARG  18   3.400  -9.727 -11.041
  131    H    ARG  18           HN       ARG  18   0.855  -3.617  -8.279
  132    HA   ARG  18           HA       ARG  18  -1.144  -5.221  -9.539
  133   1HB   ARG  18           HB2      ARG  18   1.288  -6.099  -7.961
  134   2HB   ARG  18           HB1      ARG  18   0.367  -7.115  -9.064
  135   1HG   ARG  18           HG2      ARG  18   0.896  -5.590 -10.929
  136   2HG   ARG  18           HG1      ARG  18   1.783  -4.539  -9.832
  137   1HD   ARG  18           HD2      ARG  18   3.371  -5.999 -10.987
  138   2HD   ARG  18           HD1      ARG  18   3.298  -6.469  -9.291
  139    HE   ARG  18           HE       ARG  18   1.552  -7.929 -11.196
  140   1HH1  ARG  18          HH11      ARG  18   2.972  -8.194  -8.283
  141   2HH1  ARG  18          HH12      ARG  18   3.807  -9.687  -8.563
  142   1HH2  ARG  18          HH21      ARG  18   3.171  -9.628 -12.009
  143   2HH2  ARG  18          HH22      ARG  18   3.923 -10.520 -10.728
  144    H    LEU  19           HN       LEU  19  -0.390  -4.614  -6.190
  145    HA   LEU  19           HA       LEU  19  -1.612  -6.795  -4.914
  146   1HB   LEU  19           HB2      LEU  19  -0.414  -4.773  -3.871
  147   2HB   LEU  19           HB1      LEU  19  -1.971  -3.956  -3.958
  148    HG   LEU  19           HG       LEU  19  -2.760  -6.296  -2.846
  149   1HD1  LEU  19          HD13      LEU  19  -0.394  -7.125  -2.822
  150   2HD1  LEU  19          HD12      LEU  19   0.033  -5.786  -1.762
  151   3HD1  LEU  19          HD11      LEU  19  -1.091  -7.023  -1.208
  152   1HD2  LEU  19          HD23      LEU  19  -1.548  -3.927  -1.376
  153   2HD2  LEU  19          HD22      LEU  19  -3.207  -4.037  -1.958
  154   3HD2  LEU  19          HD21      LEU  19  -2.655  -5.100  -0.668
  155    H    LEU  20           HN       LEU  20  -3.099  -3.912  -6.299
  156    HA   LEU  20           HA       LEU  20  -5.784  -4.653  -5.431
  157   1HB   LEU  20           HB2      LEU  20  -4.714  -2.582  -7.350
  158   2HB   LEU  20           HB1      LEU  20  -6.437  -2.812  -7.081
  159    HG   LEU  20           HG       LEU  20  -4.732  -2.581  -4.648
  160   1HD1  LEU  20          HD11      LEU  20  -5.227  -0.342  -6.618
  161   2HD1  LEU  20          HD13      LEU  20  -4.999  -0.017  -4.903
  162   3HD1  LEU  20          HD12      LEU  20  -3.717  -0.787  -5.831
  163   1HD2  LEU  20          HD21      LEU  20  -7.330  -2.825  -4.894
  164   2HD2  LEU  20          HD23      LEU  20  -6.700  -1.662  -3.732
  165   3HD2  LEU  20          HD22      LEU  20  -7.284  -1.112  -5.300
  166    H    ALA  21           HN       ALA  21  -4.155  -4.538  -8.595
  167    HA   ALA  21           HA       ALA  21  -6.274  -5.762 -10.061
  168   1HB   ALA  21           HB3      ALA  21  -3.407  -5.193 -10.504
  169   2HB   ALA  21           HB2      ALA  21  -4.064  -6.518 -11.459
  170   3HB   ALA  21           HB1      ALA  21  -4.784  -4.915 -11.565
  171    H    GLU  22           HN       GLU  22  -4.493  -7.041  -7.600
  172    HA   GLU  22           HA       GLU  22  -4.393  -9.787  -8.709
  173   1HB   GLU  22           HB2      GLU  22  -2.446  -9.268  -7.466
  174   2HB   GLU  22           HB1      GLU  22  -3.373  -8.510  -6.176
  175   1HG   GLU  22           HG2      GLU  22  -4.140 -10.589  -5.344
  176   2HG   GLU  22           HG1      GLU  22  -3.762 -11.430  -6.845
  177    H    HIS  23           HN       HIS  23  -5.868  -8.024  -6.004
  178    HA   HIS  23           HA       HIS  23  -7.642 -10.349  -5.485
  179   1HB   HIS  23           HB2      HIS  23  -7.448  -7.747  -3.949
  180   2HB   HIS  23           HB1      HIS  23  -8.221  -9.237  -3.418
  181    HD1  HIS  23           HD1      HIS  23  -6.345 -11.274  -3.486
  182    HD2  HIS  23           HD2      HIS  23  -4.909  -7.510  -2.993
  183    HE1  HIS  23           HE1      HIS  23  -4.128 -11.571  -2.545
  184    H    ASN  24           HN       ASN  24  -7.648  -7.685  -7.423
  185    HA   ASN  24           HA       ASN  24  -9.358  -6.376  -8.398
  186   1HB   ASN  24           HB2      ASN  24 -10.195  -9.191  -8.304
  187   2HB   ASN  24           HB1      ASN  24 -11.538  -8.063  -8.473
  188   1HD2  ASN  24          HD22      ASN  24  -8.764  -8.376 -11.481
  189   2HD2  ASN  24          HD21      ASN  24  -8.409  -8.990  -9.939
  190    H    LEU  25           HN       LEU  25  -9.648  -4.866  -6.723
  191    HA   LEU  25           HA       LEU  25 -12.028  -5.370  -4.970
  192   1HB   LEU  25           HB2      LEU  25  -9.589  -3.662  -4.423
  193   2HB   LEU  25           HB1      LEU  25 -10.982  -3.804  -3.357
  194    HG   LEU  25           HG       LEU  25  -9.749  -6.365  -4.241
  195   1HD1  LEU  25          HD12      LEU  25  -8.352  -4.306  -2.539
  196   2HD1  LEU  25          HD11      LEU  25  -8.104  -6.022  -2.231
  197   3HD1  LEU  25          HD13      LEU  25  -7.677  -5.338  -3.796
  198   1HD2  LEU  25          HD21      LEU  25 -11.706  -5.890  -2.566
  199   2HD2  LEU  25          HD23      LEU  25 -10.498  -7.095  -2.132
  200   3HD2  LEU  25          HD22      LEU  25 -10.418  -5.479  -1.439
  201    H    ASP  26           HN       ASP  26 -13.517  -3.701  -4.731
  202    HA   ASP  26           HA       ASP  26 -13.415  -1.664  -6.888
  203   1HB   ASP  26           HB2      ASP  26 -15.853  -1.290  -5.940
  204   2HB   ASP  26           HB1      ASP  26 -15.507  -2.676  -6.969
  205    H    ALA  27           HN       ALA  27 -12.482   0.203  -6.331
  206    HA   ALA  27           HA       ALA  27 -12.169   1.104  -3.617
  207   1HB   ALA  27           HB1      ALA  27 -11.970   2.651  -6.216
  208   2HB   ALA  27           HB3      ALA  27 -11.392   3.218  -4.651
  209   3HB   ALA  27           HB2      ALA  27 -10.647   1.815  -5.409
  210    H    SER  28           HN       SER  28 -14.881   0.985  -5.508
  211    HA   SER  28           HA       SER  28 -16.094   3.532  -4.853
  212   1HB   SER  28           HB2      SER  28 -16.823   1.149  -6.338
  213   2HB   SER  28           HB1      SER  28 -18.171   1.704  -5.326
  214    HG   SER  28           HG1      SER  28 -18.283   3.028  -7.040
  215    H    ALA  29           HN       ALA  29 -15.731   0.522  -3.205
  216    HA   ALA  29           HA       ALA  29 -17.802   1.266  -1.203
  217   1HB   ALA  29           HB1      ALA  29 -16.299  -1.265  -1.826
  218   2HB   ALA  29           HB3      ALA  29 -17.101  -1.064  -0.272
  219   3HB   ALA  29           HB2      ALA  29 -18.039  -1.003  -1.761
  220    H    ILE  30           HN       ILE  30 -14.567   1.748  -1.736
  221    HA   ILE  30           HA       ILE  30 -13.883   1.716   1.173
  222    HB   ILE  30           HB       ILE  30 -12.039   2.033  -1.210
  223   1HG1  ILE  30          HG12      ILE  30 -13.068  -0.167  -1.314
  224   2HG1  ILE  30          HG11      ILE  30 -11.422  -0.361  -0.729
  225   1HG2  ILE  30          HG21      ILE  30 -11.683   2.221   1.686
  226   2HG2  ILE  30          HG23      ILE  30 -10.635   0.999   0.978
  227   3HG2  ILE  30          HG22      ILE  30 -10.571   2.657   0.395
  228   1HD1  ILE  30           HD2      ILE  30 -12.549  -0.151   1.656
  229   2HD1  ILE  30           HD1      ILE  30 -14.013  -0.598   0.788
  230   3HD1  ILE  30           HD3      ILE  30 -12.627  -1.678   0.791
  231    H    LYS  31           HN       LYS  31 -12.893   3.547   2.120
  232    HA   LYS  31           HA       LYS  31 -13.695   6.100   0.815
  233   1HB   LYS  31           HB2      LYS  31 -14.450   5.514   3.172
  234   2HB   LYS  31           HB1      LYS  31 -12.770   5.699   3.665
  235   1HG   LYS  31           HG2      LYS  31 -13.266   7.902   3.924
  236   2HG   LYS  31           HG1      LYS  31 -13.214   7.985   2.167
  237   1HD   LYS  31           HD2      LYS  31 -15.637   7.451   2.080
  238   2HD   LYS  31           HD1      LYS  31 -15.682   7.397   3.839
  239   1HE   LYS  31           HE2      LYS  31 -14.433   9.853   2.887
  240   2HE   LYS  31           HE1      LYS  31 -16.056   9.669   2.235
  241   1HZ   LYS  31           HZ2      LYS  31 -15.927   8.983   5.000
  242   2HZ   LYS  31           HZ1      LYS  31 -15.406  10.575   4.721
  243   3HZ   LYS  31           HZ3      LYS  31 -16.946  10.082   4.204
  244    H    GLY  32           HN       GLY  32 -12.010   6.576  -0.554
  245   1HA   GLY  32           HA2      GLY  32  -9.248   6.175  -0.030
  246   2HA   GLY  32           HA1      GLY  32  -9.884   7.366  -1.161
  247    H    THR  33           HN       THR  33  -9.093   6.800   2.229
  248    HA   THR  33           HA       THR  33  -9.177   9.727   2.742
  249    HB   THR  33           HB       THR  33  -8.801   8.982   5.162
  250    HG1  THR  33           HG1      THR  33  -9.249   6.592   5.219
  251   1HG2  THR  33          HG22      THR  33 -11.154   8.898   3.696
  252   2HG2  THR  33          HG21      THR  33 -11.035   7.248   4.299
  253   3HG2  THR  33          HG23      THR  33 -11.056   8.599   5.429
  254    H    GLY  34           HN       GLY  34  -7.047   7.797   1.380
  255   1HA   GLY  34           HA2      GLY  34  -4.642   7.944   2.847
  256   2HA   GLY  34           HA1      GLY  34  -4.720   7.922   1.088
  257    H    VAL  35           HN       VAL  35  -2.780   9.351   1.455
  258    HA   VAL  35           HA       VAL  35  -3.124  12.016   2.493
  259    HB   VAL  35           HB       VAL  35  -1.095  11.001   0.484
  260   1HG1  VAL  35          HG12      VAL  35  -1.200  13.439   2.291
  261   2HG1  VAL  35          HG11      VAL  35   0.258  12.903   1.459
  262   3HG1  VAL  35          HG13      VAL  35  -1.144  13.428   0.531
  263   1HG2  VAL  35          HG21      VAL  35  -1.515  10.246   3.170
  264   2HG2  VAL  35          HG23      VAL  35  -0.075   9.941   2.204
  265   3HG2  VAL  35          HG22      VAL  35  -0.172  11.382   3.210
  266    H    GLY  36           HN       GLY  36  -4.599  13.353   1.630
  267   1HA   GLY  36           HA2      GLY  36  -5.344  14.898  -0.026
  268   2HA   GLY  36           HA1      GLY  36  -4.331  14.077  -1.209
  269    H    GLY  37           HN       GLY  37  -6.906  12.887   0.933
  270   1HA   GLY  37           HA2      GLY  37  -8.722  11.474   0.411
  271   2HA   GLY  37           HA1      GLY  37  -9.027  12.679  -0.837
  272    NH1  ARG  38           NH2      ARG  38  -2.984  12.701  -4.863
  273    NH2  ARG  38           NH1      ARG  38  -1.306  12.039  -6.265
  274    H    ARG  38           HN       ARG  38  -6.101  10.791  -0.801
  275    HA   ARG  38           HA       ARG  38  -6.917   9.582  -3.385
  276   1HB   ARG  38           HB2      ARG  38  -4.561  10.730  -2.575
  277   2HB   ARG  38           HB1      ARG  38  -4.213   9.017  -2.370
  278   1HG   ARG  38           HG2      ARG  38  -5.042   8.617  -4.701
  279   2HG   ARG  38           HG1      ARG  38  -5.248  10.354  -4.893
  280   1HD   ARG  38           HD2      ARG  38  -2.646  10.080  -3.892
  281   2HD   ARG  38           HD1      ARG  38  -2.807   8.763  -5.053
  282    HE   ARG  38           HE       ARG  38  -3.429  10.483  -6.753
  283   1HH1  ARG  38          HH21      ARG  38  -3.858  12.500  -4.420
  284   2HH1  ARG  38          HH22      ARG  38  -2.526  13.573  -4.695
  285   1HH2  ARG  38          HH11      ARG  38  -0.920  11.343  -6.871
  286   2HH2  ARG  38          HH12      ARG  38  -0.819  12.900  -6.119
  287    H    LEU  39           HN       LEU  39  -6.343   7.291  -3.773
  288    HA   LEU  39           HA       LEU  39  -7.147   5.668  -1.437
  289   1HB   LEU  39           HB2      LEU  39  -8.336   5.223  -3.503
  290   2HB   LEU  39           HB1      LEU  39  -6.828   5.009  -4.379
  291    HG   LEU  39           HG       LEU  39  -6.313   2.985  -3.114
  292   1HD1  LEU  39          HD12      LEU  39  -8.679   3.889  -1.477
  293   2HD1  LEU  39          HD11      LEU  39  -8.235   2.186  -1.524
  294   3HD1  LEU  39          HD13      LEU  39  -7.088   3.377  -0.924
  295   1HD2  LEU  39          HD22      LEU  39  -8.028   2.971  -5.047
  296   2HD2  LEU  39          HD21      LEU  39  -8.002   1.564  -3.989
  297   3HD2  LEU  39          HD23      LEU  39  -9.250   2.790  -3.793
  298    H    THR  40           HN       THR  40  -5.714   4.596  -0.238
  299    HA   THR  40           HA       THR  40  -3.091   3.832  -1.459
  300    HB   THR  40           HB       THR  40  -1.977   4.471   0.696
  301    HG1  THR  40           HG1      THR  40  -4.261   4.175   1.641
  302   1HG2  THR  40          HG22      THR  40  -3.724   6.611  -0.580
  303   2HG2  THR  40          HG21      THR  40  -2.492   6.966   0.626
  304   3HG2  THR  40          HG23      THR  40  -2.029   6.293  -0.934
  305    NH1  ARG  41           NH2      ARG  41   1.707  -2.668   3.783
  306    NH2  ARG  41           NH1      ARG  41   2.773  -1.003   2.639
  307    H    ARG  41           HN       ARG  41  -1.952   2.470   0.544
  308    HA   ARG  41           HA       ARG  41  -3.601   0.063   0.679
  309   1HB   ARG  41           HB2      ARG  41  -1.048   0.172   0.393
  310   2HB   ARG  41           HB1      ARG  41  -0.987   0.499   2.120
  311   1HG   ARG  41           HG2      ARG  41  -2.713  -1.644   2.019
  312   2HG   ARG  41           HG1      ARG  41  -1.604  -2.018   0.705
  313   1HD   ARG  41           HD2      ARG  41  -0.796  -1.342   3.558
  314   2HD   ARG  41           HD1      ARG  41  -0.767  -2.950   2.837
  315    HE   ARG  41           HE       ARG  41   0.787  -1.332   1.148
  316   1HH1  ARG  41          HH21      ARG  41   0.893  -3.235   3.911
  317   2HH1  ARG  41          HH22      ARG  41   2.501  -2.795   4.378
  318   1HH2  ARG  41          HH11      ARG  41   2.758  -0.321   1.908
  319   2HH2  ARG  41          HH12      ARG  41   3.585  -1.102   3.214
  320    H    GLU  42           HN       GLU  42  -2.809   2.706   2.778
  321    HA   GLU  42           HA       GLU  42  -3.600   1.384   5.244
  322   1HB   GLU  42           HB2      GLU  42  -3.297   4.318   4.552
  323   2HB   GLU  42           HB1      GLU  42  -3.574   3.702   6.177
  324   1HG   GLU  42           HG2      GLU  42  -1.295   2.620   4.526
  325   2HG   GLU  42           HG1      GLU  42  -1.108   4.138   5.401
  326    H    ASP  43           HN       ASP  43  -5.435   1.615   2.787
  327    HA   ASP  43           HA       ASP  43  -7.846   2.517   4.311
  328   1HB   ASP  43           HB2      ASP  43  -7.249   2.971   1.378
  329   2HB   ASP  43           HB1      ASP  43  -8.783   3.345   2.160
  330    H    VAL  44           HN       VAL  44  -6.561   0.506   1.711
  331    HA   VAL  44           HA       VAL  44  -9.026  -1.040   1.464
  332    HB   VAL  44           HB       VAL  44  -6.267  -1.756   0.447
  333   1HG1  VAL  44          HG11      VAL  44  -8.705  -3.137   0.418
  334   2HG1  VAL  44          HG13      VAL  44  -8.600  -2.408  -1.181
  335   3HG1  VAL  44          HG12      VAL  44  -7.314  -3.467  -0.610
  336   1HG2  VAL  44          HG21      VAL  44  -8.446  -0.059  -0.820
  337   2HG2  VAL  44          HG23      VAL  44  -6.869   0.515  -0.288
  338   3HG2  VAL  44          HG22      VAL  44  -6.988  -0.606  -1.642
  339    H    GLU  45           HN       GLU  45  -5.975  -1.343   3.163
  340    HA   GLU  45           HA       GLU  45  -5.879  -4.003   3.868
  341   1HB   GLU  45           HB2      GLU  45  -4.596  -3.344   5.715
  342   2HB   GLU  45           HB1      GLU  45  -4.395  -2.014   4.597
  343   1HG   GLU  45           HG2      GLU  45  -4.946  -0.839   6.527
  344   2HG   GLU  45           HG1      GLU  45  -6.555  -1.081   5.854
  345    H    LYS  46           HN       LYS  46  -8.293  -1.703   4.729
  346    HA   LYS  46           HA       LYS  46  -9.375  -3.426   6.882
  347   1HB   LYS  46           HB2      LYS  46  -9.368  -0.674   6.448
  348   2HB   LYS  46           HB1      LYS  46 -11.024  -1.150   6.094
  349   1HG   LYS  46           HG2      LYS  46 -11.133  -2.349   8.266
  350   2HG   LYS  46           HG1      LYS  46  -9.484  -1.843   8.618
  351   1HD   LYS  46           HD2      LYS  46 -10.192   0.534   8.468
  352   2HD   LYS  46           HD1      LYS  46 -11.841   0.016   8.138
  353   1HE   LYS  46           HE2      LYS  46 -12.208  -0.672  10.313
  354   2HE   LYS  46           HE1      LYS  46 -10.526  -1.113  10.572
  355   1HZ   LYS  46           HZ2      LYS  46 -10.167   1.433  10.359
  356   2HZ   LYS  46           HZ1      LYS  46 -11.809   1.511  10.782
  357   3HZ   LYS  46           HZ3      LYS  46 -10.699   0.763  11.826
  358    H    HIS  47           HN       HIS  47  -9.320  -4.299   4.070
  359    HA   HIS  47           HA       HIS  47 -12.235  -4.859   3.790
  360   1HB   HIS  47           HB2      HIS  47 -11.154  -3.014   2.194
  361   2HB   HIS  47           HB1      HIS  47 -10.647  -4.444   1.299
  362    HD1  HIS  47           HD1      HIS  47 -13.836  -3.305   2.843
  363    HD2  HIS  47           HD2      HIS  47 -12.547  -5.242  -0.477
  364    HE1  HIS  47           HE1      HIS  47 -15.844  -3.727   1.550
  365    H    LEU  48           HN       LEU  48  -8.920  -5.705   2.952
  366    HA   LEU  48           HA       LEU  48  -9.229  -8.080   1.555
  367   1HB   LEU  48           HB2      LEU  48  -7.269  -7.228   3.662
  368   2HB   LEU  48           HB1      LEU  48  -7.194  -8.866   3.021
  369    HG   LEU  48           HG       LEU  48  -7.429  -6.609   1.066
  370   1HD1  LEU  48          HD12      LEU  48  -5.076  -7.181   2.839
  371   2HD1  LEU  48          HD11      LEU  48  -4.774  -6.749   1.160
  372   3HD1  LEU  48          HD13      LEU  48  -5.647  -5.639   2.210
  373   1HD2  LEU  48          HD22      LEU  48  -7.388  -9.136   0.552
  374   2HD2  LEU  48          HD21      LEU  48  -6.262  -8.131  -0.355
  375   3HD2  LEU  48          HD23      LEU  48  -5.688  -9.085   1.009
  376    H    ALA  49           HN       ALA  49 -10.214  -7.406   4.766
  377    HA   ALA  49           HA       ALA  49 -11.195 -10.203   5.033
  378   1HB   ALA  49           HB2      ALA  49  -9.009  -9.812   6.320
  379   2HB   ALA  49           HB1      ALA  49  -9.944  -8.743   7.362
  380   3HB   ALA  49           HB3      ALA  49 -10.362 -10.450   7.248
  381    H    LYS  50           HN       LYS  50 -13.337 -10.022   5.215
  382    HA   LYS  50           HA       LYS  50 -14.721  -7.617   5.853
  383   1HB   LYS  50           HB2      LYS  50 -16.616  -9.403   6.434
  384   2HB   LYS  50           HB1      LYS  50 -16.133  -9.091   4.773
  385   1HG   LYS  50           HG2      LYS  50 -14.598 -11.155   6.319
  386   2HG   LYS  50           HG1      LYS  50 -16.209 -11.578   5.757
  387   1HD   LYS  50           HD2      LYS  50 -15.611 -11.484   3.523
  388   2HD   LYS  50           HD1      LYS  50 -14.380 -10.255   3.791
  389   1HE   LYS  50           HE2      LYS  50 -12.832 -11.850   4.664
  390   2HE   LYS  50           HE1      LYS  50 -14.083 -13.074   4.848
  391   1HZ   LYS  50           HZ2      LYS  50 -14.327 -12.997   2.379
  392   2HZ   LYS  50           HZ1      LYS  50 -12.926 -12.038   2.328
  393   3HZ   LYS  50           HZ3      LYS  50 -12.850 -13.622   2.936
  394    H    ALA  51           HN       ALA  51 -14.189  -6.644   7.750
  395    HA   ALA  51           HA       ALA  51 -15.021  -8.055  10.222
  396   1HB   ALA  51           HB2      ALA  51 -12.443  -8.207   9.703
  397   2HB   ALA  51           HB1      ALA  51 -12.432  -6.545  10.283
  398   3HB   ALA  51           HB3      ALA  51 -12.988  -7.842  11.336
   
 Raw file had 398 H/Q atoms
  Start of MODEL   36
    1    OH   TYR   1           OH       TYR   1  23.143   5.862 -11.612
    2   1H    TYR   1           HT1      TYR   1  19.291   5.190 -16.831
    3   2H    TYR   1           HT3      TYR   1  20.463   5.139 -15.604
    4   3H    TYR   1           HT2      TYR   1  20.771   5.997 -17.037
    5    HA   TYR   1           HA       TYR   1  20.818   3.994 -18.314
    6   1HB   TYR   1           HB2      TYR   1  22.651   2.740 -16.869
    7   2HB   TYR   1           HB1      TYR   1  22.987   4.330 -17.550
    8    HD1  TYR   1           HD2      TYR   1  22.474   6.381 -16.060
    9    HD2  TYR   1           HD1      TYR   1  22.724   2.422 -14.526
   10    HE1  TYR   1           HE2      TYR   1  22.808   7.277 -13.802
   11    HE2  TYR   1           HE1      TYR   1  23.057   3.318 -12.269
   12    HH   TYR   1           HH       TYR   1  23.227   6.816 -11.681
   13    H    ALA   2           HN       ALA   2  19.089   3.822 -15.484
   14    HA   ALA   2           HA       ALA   2  18.953   0.851 -15.483
   15   1HB   ALA   2           HB3      ALA   2  17.836   2.929 -13.586
   16   2HB   ALA   2           HB2      ALA   2  17.574   1.197 -13.413
   17   3HB   ALA   2           HB1      ALA   2  19.203   1.858 -13.292
   18    H    SER   3           HN       SER   3  16.157   2.100 -14.242
   19    HA   SER   3           HA       SER   3  14.623   1.190 -16.586
   20   1HB   SER   3           HB2      SER   3  12.805   0.997 -15.133
   21   2HB   SER   3           HB1      SER   3  14.135   0.854 -13.966
   22    HG   SER   3           HG1      SER   3  12.690   2.517 -13.362
   23    H    LEU   4           HN       LEU   4  12.348   2.899 -16.068
   24    HA   LEU   4           HA       LEU   4  13.002   5.074 -17.835
   25   1HB   LEU   4           HB2      LEU   4  10.599   4.388 -16.157
   26   2HB   LEU   4           HB1      LEU   4  10.675   5.908 -17.043
   27    HG   LEU   4           HG       LEU   4  11.441   3.484 -18.583
   28   1HD1  LEU   4          HD12      LEU   4   8.600   4.028 -17.657
   29   2HD1  LEU   4          HD11      LEU   4   9.011   2.953 -18.989
   30   3HD1  LEU   4          HD13      LEU   4   9.545   2.573 -17.355
   31   1HD2  LEU   4          HD21      LEU   4  11.300   5.792 -19.534
   32   2HD2  LEU   4          HD23      LEU   4  10.195   4.677 -20.331
   33   3HD2  LEU   4          HD22      LEU   4   9.584   5.824 -19.144
   34    H    GLU   5           HN       GLU   5  13.526   4.643 -14.548
   35    HA   GLU   5           HA       GLU   5  14.191   7.516 -14.257
   36   1HB   GLU   5           HB2      GLU   5  13.113   7.304 -11.871
   37   2HB   GLU   5           HB1      GLU   5  12.090   7.664 -13.257
   38   1HG   GLU   5           HG2      GLU   5  11.275   5.451 -13.386
   39   2HG   GLU   5           HG1      GLU   5  12.614   4.805 -12.441
   40    H    GLU   6           HN       GLU   6  13.886   5.597 -11.427
   41    HA   GLU   6           HA       GLU   6  16.542   4.422 -11.505
   42   1HB   GLU   6           HB2      GLU   6  17.711   5.863 -10.055
   43   2HB   GLU   6           HB1      GLU   6  16.872   6.967 -11.138
   44   1HG   GLU   6           HG2      GLU   6  14.952   6.875  -9.366
   45   2HG   GLU   6           HG1      GLU   6  16.199   6.255  -8.285
   46    H    GLN   7           HN       GLN   7  17.071   3.315  -9.492
   47    HA   GLN   7           HA       GLN   7  14.597   2.478  -8.086
   48   1HB   GLN   7           HB2      GLN   7  17.344   1.273  -7.758
   49   2HB   GLN   7           HB1      GLN   7  15.784   0.521  -7.449
   50   1HG   GLN   7           HG2      GLN   7  15.544   1.261 -10.094
   51   2HG   GLN   7           HG1      GLN   7  17.246   0.820  -9.990
   52   1HE2  GLN   7          HE22      GLN   7  16.347  -2.562 -10.284
   53   2HE2  GLN   7          HE21      GLN   7  17.331  -1.283 -10.809
   54    H    ASN   8           HN       ASN   8  16.861   1.593  -6.017
   55    HA   ASN   8           HA       ASN   8  17.534   2.375  -3.906
   56   1HB   ASN   8           HB2      ASN   8  18.227   4.360  -5.792
   57   2HB   ASN   8           HB1      ASN   8  17.517   5.213  -4.423
   58   1HD2  ASN   8          HD22      ASN   8  20.144   4.375  -2.183
   59   2HD2  ASN   8          HD21      ASN   8  18.557   4.963  -2.313
   60    H    ASN   9           HN       ASN   9  16.711   3.403  -2.011
   61    HA   ASN   9           HA       ASN   9  13.968   3.355  -1.624
   62   1HB   ASN   9           HB2      ASN   9  15.358   3.536   0.300
   63   2HB   ASN   9           HB1      ASN   9  16.080   5.037  -0.273
   64   1HD2  ASN   9          HD22      ASN   9  13.662   6.987   1.347
   65   2HD2  ASN   9          HD21      ASN   9  15.235   6.850   0.726
   66    H    ASP  10           HN       ASP  10  12.281   4.842  -1.701
   67    HA   ASP  10           HA       ASP  10  12.615   7.603  -2.403
   68   1HB   ASP  10           HB2      ASP  10  13.207   7.053  -4.593
   69   2HB   ASP  10           HB1      ASP  10  12.156   5.638  -4.619
   70    H    ALA  11           HN       ALA  11  10.608   4.776  -2.318
   71    HA   ALA  11           HA       ALA  11   8.508   6.076  -0.885
   72   1HB   ALA  11           HB1      ALA  11   8.362   6.172  -3.834
   73   2HB   ALA  11           HB3      ALA  11   6.894   5.619  -3.037
   74   3HB   ALA  11           HB2      ALA  11   7.573   7.193  -2.637
   75    H    LEU  12           HN       LEU  12   6.329   4.639  -1.355
   76    HA   LEU  12           HA       LEU  12   6.850   2.098  -0.264
   77   1HB   LEU  12           HB2      LEU  12   4.517   3.087  -1.911
   78   2HB   LEU  12           HB1      LEU  12   4.539   1.514  -1.120
   79    HG   LEU  12           HG       LEU  12   5.268   3.893   0.536
   80   1HD1  LEU  12          HD12      LEU  12   2.430   3.184  -0.286
   81   2HD1  LEU  12          HD11      LEU  12   2.855   4.317   0.992
   82   3HD1  LEU  12          HD13      LEU  12   3.275   4.678  -0.679
   83   1HD2  LEU  12          HD21      LEU  12   5.293   1.549   1.402
   84   2HD2  LEU  12          HD23      LEU  12   4.136   2.560   2.260
   85   3HD2  LEU  12          HD22      LEU  12   3.574   1.421   1.040
   86    H    SER  13           HN       SER  13   5.666   0.135  -1.722
   87    HA   SER  13           HA       SER  13   7.685  -0.284  -3.812
   88   1HB   SER  13           HB2      SER  13   7.459  -2.531  -3.393
   89   2HB   SER  13           HB1      SER  13   6.643  -1.975  -1.918
   90    HG   SER  13           HG1      SER  13   5.145  -3.199  -2.950
   91    HA   PRO  14           HA       PRO  14   4.951   0.479  -7.225
   92   1HB   PRO  14           HB2      PRO  14   5.768  -1.692  -8.867
   93   2HB   PRO  14           HB1      PRO  14   6.352  -0.028  -8.934
   94   1HG   PRO  14           HG2      PRO  14   7.723  -2.405  -7.886
   95   2HG   PRO  14           HG1      PRO  14   8.386  -0.797  -8.184
   96   1HD   PRO  14           HD1      PRO  14   7.804  -1.945  -5.640
   97   2HD   PRO  14           HD2      PRO  14   8.251  -0.261  -5.976
   98    H    ALA  15           HN       ALA  15   5.361  -2.937  -6.365
   99    HA   ALA  15           HA       ALA  15   3.069  -4.052  -7.495
  100   1HB   ALA  15           HB1      ALA  15   4.939  -4.786  -5.478
  101   2HB   ALA  15           HB3      ALA  15   3.326  -5.119  -4.854
  102   3HB   ALA  15           HB2      ALA  15   3.849  -5.836  -6.376
  103    H    ILE  16           HN       ILE  16   3.312  -1.987  -4.689
  104    HA   ILE  16           HA       ILE  16   0.875  -2.420  -3.402
  105    HB   ILE  16           HB       ILE  16   2.715  -0.682  -2.873
  106   1HG1  ILE  16          HG12      ILE  16  -0.204   0.157  -2.678
  107   2HG1  ILE  16          HG11      ILE  16   0.584  -0.973  -1.583
  108   1HG2  ILE  16          HG21      ILE  16   2.328   0.388  -5.209
  109   2HG2  ILE  16          HG23      ILE  16   0.925   1.152  -4.471
  110   3HG2  ILE  16          HG22      ILE  16   2.536   1.470  -3.837
  111   1HD1  ILE  16           HD2      ILE  16   2.301   0.878  -1.144
  112   2HD1  ILE  16           HD1      ILE  16   1.192   1.968  -1.967
  113   3HD1  ILE  16           HD3      ILE  16   0.692   1.151  -0.489
  114    NH1  ARG  17           NH2      ARG  17  -1.382   5.339  -6.103
  115    NH2  ARG  17           NH1      ARG  17  -2.502   5.160  -8.085
  116    H    ARG  17           HN       ARG  17   1.469  -0.790  -6.449
  117    HA   ARG  17           HA       ARG  17  -1.288   0.141  -6.705
  118   1HB   ARG  17           HB2      ARG  17   1.180   0.223  -8.374
  119   2HB   ARG  17           HB1      ARG  17  -0.359   0.387  -9.208
  120   1HG   ARG  17           HG2      ARG  17   0.196   2.004  -6.719
  121   2HG   ARG  17           HG1      ARG  17   0.828   2.541  -8.270
  122   1HD   ARG  17           HD2      ARG  17  -1.230   3.201  -8.999
  123   2HD   ARG  17           HD1      ARG  17  -2.017   1.753  -8.378
  124    HE   ARG  17           HE       ARG  17  -2.114   2.858  -6.165
  125   1HH1  ARG  17          HH21      ARG  17  -0.933   4.891  -5.329
  126   2HH1  ARG  17          HH22      ARG  17  -1.429   6.337  -6.143
  127   1HH2  ARG  17          HH11      ARG  17  -2.894   4.579  -8.798
  128   2HH2  ARG  17          HH12      ARG  17  -2.568   6.155  -8.160
  129    NH1  ARG  18           NH2      ARG  18  -1.748  -3.363 -13.737
  130    NH2  ARG  18           NH1      ARG  18  -2.172  -1.264 -12.942
  131    H    ARG  18           HN       ARG  18   0.590  -2.625  -7.715
  132    HA   ARG  18           HA       ARG  18  -1.538  -3.626  -9.480
  133   1HB   ARG  18           HB2      ARG  18   1.107  -4.761  -8.560
  134   2HB   ARG  18           HB1      ARG  18  -0.005  -5.672  -9.569
  135   1HG   ARG  18           HG2      ARG  18   1.047  -2.907 -10.278
  136   2HG   ARG  18           HG1      ARG  18   1.774  -4.400 -10.858
  137   1HD   ARG  18           HD2      ARG  18   0.311  -4.258 -12.596
  138   2HD   ARG  18           HD1      ARG  18  -0.937  -4.738 -11.450
  139    HE   ARG  18           HE       ARG  18  -0.672  -1.968 -11.137
  140   1HH1  ARG  18          HH21      ARG  18  -1.286  -4.244 -13.627
  141   2HH1  ARG  18          HH22      ARG  18  -2.331  -3.200 -14.532
  142   1HH2  ARG  18          HH11      ARG  18  -2.028  -0.570 -12.236
  143   2HH2  ARG  18          HH12      ARG  18  -2.762  -1.066 -13.724
  144    H    LEU  19           HN       LEU  19  -0.776  -3.721  -6.180
  145    HA   LEU  19           HA       LEU  19  -1.679  -6.281  -5.383
  146   1HB   LEU  19           HB2      LEU  19  -0.616  -4.512  -3.914
  147   2HB   LEU  19           HB1      LEU  19  -2.177  -3.703  -3.872
  148    HG   LEU  19           HG       LEU  19  -2.960  -6.215  -3.214
  149   1HD1  LEU  19          HD13      LEU  19  -0.511  -6.925  -3.330
  150   2HD1  LEU  19          HD12      LEU  19  -0.241  -5.917  -1.911
  151   3HD1  LEU  19          HD11      LEU  19  -1.331  -7.297  -1.817
  152   1HD2  LEU  19          HD23      LEU  19  -1.821  -4.071  -1.393
  153   2HD2  LEU  19          HD22      LEU  19  -3.498  -4.243  -1.901
  154   3HD2  LEU  19          HD21      LEU  19  -2.780  -5.432  -0.819
  155    H    LEU  20           HN       LEU  20  -3.442  -3.468  -6.435
  156    HA   LEU  20           HA       LEU  20  -6.033  -4.431  -5.511
  157   1HB   LEU  20           HB2      LEU  20  -5.089  -2.188  -7.267
  158   2HB   LEU  20           HB1      LEU  20  -6.796  -2.620  -7.252
  159    HG   LEU  20           HG       LEU  20  -5.388  -2.306  -4.624
  160   1HD1  LEU  20          HD11      LEU  20  -6.195  -0.080  -6.508
  161   2HD1  LEU  20          HD13      LEU  20  -6.135   0.163  -4.765
  162   3HD1  LEU  20          HD12      LEU  20  -4.673  -0.274  -5.643
  163   1HD2  LEU  20          HD21      LEU  20  -7.877  -3.022  -5.169
  164   2HD2  LEU  20          HD23      LEU  20  -7.553  -1.929  -3.827
  165   3HD2  LEU  20          HD22      LEU  20  -8.117  -1.289  -5.368
  166    H    ALA  21           HN       ALA  21  -4.097  -4.743  -8.389
  167    HA   ALA  21           HA       ALA  21  -6.306  -5.899  -9.952
  168   1HB   ALA  21           HB2      ALA  21  -3.388  -5.367 -10.475
  169   2HB   ALA  21           HB1      ALA  21  -4.330  -6.371 -11.573
  170   3HB   ALA  21           HB3      ALA  21  -4.793  -4.695 -11.296
  171    H    GLU  22           HN       GLU  22  -4.241  -6.985  -7.579
  172    HA   GLU  22           HA       GLU  22  -3.902  -9.705  -8.661
  173   1HB   GLU  22           HB2      GLU  22  -2.251  -8.390  -7.123
  174   2HB   GLU  22           HB1      GLU  22  -3.313  -8.911  -5.821
  175   1HG   GLU  22           HG2      GLU  22  -1.875 -10.728  -5.870
  176   2HG   GLU  22           HG1      GLU  22  -3.051 -11.273  -7.064
  177    H    HIS  23           HN       HIS  23  -5.646  -8.115  -6.013
  178    HA   HIS  23           HA       HIS  23  -7.194 -10.623  -5.575
  179   1HB   HIS  23           HB2      HIS  23  -7.339  -8.117  -3.899
  180   2HB   HIS  23           HB1      HIS  23  -7.776  -9.761  -3.440
  181    HD1  HIS  23           HD1      HIS  23  -5.419 -11.309  -3.961
  182    HD2  HIS  23           HD2      HIS  23  -4.993  -7.482  -2.678
  183    HE1  HIS  23           HE1      HIS  23  -3.186 -11.214  -3.015
  184    H    ASN  24           HN       ASN  24  -7.397  -7.678  -7.180
  185    HA   ASN  24           HA       ASN  24  -9.204  -6.478  -8.104
  186   1HB   ASN  24           HB2      ASN  24 -10.715  -9.081  -8.037
  187   2HB   ASN  24           HB1      ASN  24 -10.729  -7.831  -9.278
  188   1HD2  ASN  24          HD22      ASN  24  -8.556 -10.695 -10.394
  189   2HD2  ASN  24          HD21      ASN  24 -10.170 -10.584  -9.882
  190    H    LEU  25           HN       LEU  25  -9.816  -5.161  -6.408
  191    HA   LEU  25           HA       LEU  25 -12.098  -6.156  -4.735
  192   1HB   LEU  25           HB2      LEU  25  -9.958  -4.144  -3.999
  193   2HB   LEU  25           HB1      LEU  25 -11.319  -4.598  -2.977
  194    HG   LEU  25           HG       LEU  25  -9.682  -6.847  -4.043
  195   1HD1  LEU  25          HD11      LEU  25  -8.648  -4.746  -2.146
  196   2HD1  LEU  25          HD13      LEU  25  -8.119  -6.419  -1.992
  197   3HD1  LEU  25          HD12      LEU  25  -7.810  -5.530  -3.482
  198   1HD2  LEU  25          HD23      LEU  25 -11.698  -6.838  -2.373
  199   2HD2  LEU  25          HD22      LEU  25 -10.309  -7.858  -2.010
  200   3HD2  LEU  25          HD21      LEU  25 -10.502  -6.310  -1.194
  201    H    ASP  26           HN       ASP  26 -13.854  -4.812  -4.490
  202    HA   ASP  26           HA       ASP  26 -14.167  -2.736  -6.528
  203   1HB   ASP  26           HB2      ASP  26 -16.003  -3.781  -4.360
  204   2HB   ASP  26           HB1      ASP  26 -16.470  -2.525  -5.504
  205    H    ALA  27           HN       ALA  27 -12.318  -1.494  -5.490
  206    HA   ALA  27           HA       ALA  27 -12.530  -0.227  -2.975
  207   1HB   ALA  27           HB1      ALA  27 -10.909   0.040  -5.334
  208   2HB   ALA  27           HB3      ALA  27 -11.361   1.640  -4.755
  209   3HB   ALA  27           HB2      ALA  27 -10.531   0.518  -3.682
  210    H    SER  28           HN       SER  28 -14.604   0.039  -5.559
  211    HA   SER  28           HA       SER  28 -15.321   2.704  -5.832
  212   1HB   SER  28           HB2      SER  28 -17.499   0.675  -5.378
  213   2HB   SER  28           HB1      SER  28 -17.393   1.946  -6.611
  214    HG   SER  28           HG1      SER  28 -16.698  -0.500  -6.953
  215    H    ALA  29           HN       ALA  29 -15.670   0.684  -3.039
  216    HA   ALA  29           HA       ALA  29 -17.271   2.779  -1.648
  217   1HB   ALA  29           HB3      ALA  29 -17.041  -0.125  -1.438
  218   2HB   ALA  29           HB2      ALA  29 -16.912   0.672   0.126
  219   3HB   ALA  29           HB1      ALA  29 -18.331   0.935  -0.882
  220    H    ILE  30           HN       ILE  30 -14.251   0.970  -1.448
  221    HA   ILE  30           HA       ILE  30 -13.362   2.181   1.014
  222    HB   ILE  30           HB       ILE  30 -11.653   1.016  -1.202
  223   1HG1  ILE  30          HG12      ILE  30 -13.356  -0.622  -0.635
  224   2HG1  ILE  30          HG11      ILE  30 -11.852  -1.133   0.115
  225   1HG2  ILE  30          HG23      ILE  30 -11.100   2.069   1.462
  226   2HG2  ILE  30          HG22      ILE  30 -10.583   0.394   1.315
  227   3HG2  ILE  30          HG21      ILE  30  -9.975   1.604   0.193
  228   1HD1  ILE  30           HD3      ILE  30 -12.743   0.252   2.187
  229   2HD1  ILE  30           HD2      ILE  30 -14.307   0.054   1.404
  230   3HD1  ILE  30           HD1      ILE  30 -13.379  -1.359   1.889
  231    H    LYS  31           HN       LYS  31 -13.172   4.341   1.143
  232    HA   LYS  31           HA       LYS  31 -12.573   6.053  -1.084
  233   1HB   LYS  31           HB2      LYS  31 -13.477   6.439   1.481
  234   2HB   LYS  31           HB1      LYS  31 -11.843   7.086   1.572
  235   1HG   LYS  31           HG2      LYS  31 -12.304   8.468  -0.451
  236   2HG   LYS  31           HG1      LYS  31 -13.955   7.857  -0.470
  237   1HD   LYS  31           HD2      LYS  31 -14.564   9.401   1.058
  238   2HD   LYS  31           HD1      LYS  31 -13.353   8.790   2.181
  239   1HE   LYS  31           HE2      LYS  31 -12.920  10.850  -0.006
  240   2HE   LYS  31           HE1      LYS  31 -12.888  11.143   1.728
  241   1HZ   LYS  31           HZ2      LYS  31 -11.029   9.455   1.784
  242   2HZ   LYS  31           HZ1      LYS  31 -10.958   9.615   0.096
  243   3HZ   LYS  31           HZ3      LYS  31 -10.670  10.963   1.089
  244    H    GLY  32           HN       GLY  32 -10.610   7.773  -0.131
  245   1HA   GLY  32           HA2      GLY  32  -8.163   6.095   0.121
  246   2HA   GLY  32           HA1      GLY  32  -8.267   7.236  -1.216
  247    H    THR  33           HN       THR  33  -6.845   6.887   1.623
  248    HA   THR  33           HA       THR  33  -6.842   9.823   2.154
  249    HB   THR  33           HB       THR  33  -6.893   9.356   4.622
  250    HG1  THR  33           HG1      THR  33  -7.273   6.734   3.570
  251   1HG2  THR  33          HG21      THR  33  -9.144   7.985   3.092
  252   2HG2  THR  33          HG23      THR  33  -9.222   8.484   4.778
  253   3HG2  THR  33          HG22      THR  33  -9.105   9.696   3.506
  254    H    GLY  34           HN       GLY  34  -4.891   8.764   0.680
  255   1HA   GLY  34           HA2      GLY  34  -2.692   7.704   2.252
  256   2HA   GLY  34           HA1      GLY  34  -2.588   8.267   0.588
  257    H    VAL  35           HN       VAL  35  -0.559   8.838   2.338
  258    HA   VAL  35           HA       VAL  35  -0.725  11.255   3.791
  259    HB   VAL  35           HB       VAL  35   1.576  10.069   2.223
  260   1HG1  VAL  35          HG12      VAL  35   1.380  12.494   4.008
  261   2HG1  VAL  35          HG11      VAL  35   2.884  11.585   3.904
  262   3HG1  VAL  35          HG13      VAL  35   2.206  12.331   2.461
  263   1HG2  VAL  35          HG23      VAL  35   0.384   9.017   4.378
  264   2HG2  VAL  35          HG22      VAL  35   2.133   8.965   4.185
  265   3HG2  VAL  35          HG21      VAL  35   1.397  10.194   5.208
  266    H    GLY  36           HN       GLY  36  -0.334  10.684   0.351
  267   1HA   GLY  36           HA2      GLY  36  -0.080  13.593  -0.154
  268   2HA   GLY  36           HA1      GLY  36   0.089  12.324  -1.364
  269    H    GLY  37           HN       GLY  37  -2.528  11.451   0.352
  270   1HA   GLY  37           HA2      GLY  37  -4.856  12.072   0.219
  271   2HA   GLY  37           HA1      GLY  37  -4.448  13.227  -1.046
  272    NH1  ARG  38           NH1      ARG  38  -2.324  13.850  -4.980
  273    NH2  ARG  38           NH2      ARG  38  -0.165  14.326  -4.408
  274    H    ARG  38           HN       ARG  38  -2.865  10.338  -1.589
  275    HA   ARG  38           HA       ARG  38  -4.810   9.644  -3.722
  276   1HB   ARG  38           HB2      ARG  38  -1.966   8.726  -3.221
  277   2HB   ARG  38           HB1      ARG  38  -2.960   8.188  -4.565
  278   1HG   ARG  38           HG2      ARG  38  -1.572  10.022  -5.351
  279   2HG   ARG  38           HG1      ARG  38  -3.233  10.589  -5.264
  280   1HD   ARG  38           HD2      ARG  38  -2.802  12.000  -3.482
  281   2HD   ARG  38           HD1      ARG  38  -1.550  10.956  -2.815
  282    HE   ARG  38           HE       ARG  38  -0.062  11.803  -4.667
  283   1HH1  ARG  38          HH11      ARG  38  -3.046  13.169  -5.113
  284   2HH1  ARG  38          HH12      ARG  38  -2.515  14.818  -5.143
  285   1HH2  ARG  38          HH21      ARG  38   0.734  14.002  -4.111
  286   2HH2  ARG  38          HH22      ARG  38  -0.319  15.302  -4.561
  287    H    LEU  39           HN       LEU  39  -4.841   7.153  -4.163
  288    HA   LEU  39           HA       LEU  39  -5.931   5.925  -1.743
  289   1HB   LEU  39           HB2      LEU  39  -7.073   5.552  -3.864
  290   2HB   LEU  39           HB1      LEU  39  -5.606   4.901  -4.581
  291    HG   LEU  39           HG       LEU  39  -5.657   2.981  -3.061
  292   1HD1  LEU  39          HD13      LEU  39  -7.869   4.582  -1.783
  293   2HD1  LEU  39          HD12      LEU  39  -7.863   2.827  -1.636
  294   3HD1  LEU  39          HD11      LEU  39  -6.510   3.768  -1.015
  295   1HD2  LEU  39          HD22      LEU  39  -7.116   3.052  -5.159
  296   2HD2  LEU  39          HD21      LEU  39  -7.602   1.883  -3.935
  297   3HD2  LEU  39          HD23      LEU  39  -8.473   3.405  -4.093
  298    H    THR  40           HN       THR  40  -4.937   4.470  -0.455
  299    HA   THR  40           HA       THR  40  -2.424   3.184  -1.418
  300    HB   THR  40           HB       THR  40  -1.279   3.755   0.710
  301    HG1  THR  40           HG1      THR  40  -3.177   3.782   1.963
  302   1HG2  THR  40          HG21      THR  40  -2.668   6.187  -0.484
  303   2HG2  THR  40          HG23      THR  40  -1.219   6.226   0.517
  304   3HG2  THR  40          HG22      THR  40  -1.163   5.501  -1.087
  305    NH1  ARG  41           NH2      ARG  41  -2.526  -3.944   4.353
  306    NH2  ARG  41           NH1      ARG  41  -0.538  -5.064   4.285
  307    H    ARG  41           HN       ARG  41  -1.676   1.592   0.429
  308    HA   ARG  41           HA       ARG  41  -3.828  -0.324   0.731
  309   1HB   ARG  41           HB2      ARG  41  -1.283  -0.755   0.459
  310   2HB   ARG  41           HB1      ARG  41  -1.202  -0.470   2.193
  311   1HG   ARG  41           HG2      ARG  41  -2.881  -2.240   2.573
  312   2HG   ARG  41           HG1      ARG  41  -2.995  -2.515   0.838
  313   1HD   ARG  41           HD2      ARG  41  -0.789  -3.377   0.713
  314   2HD   ARG  41           HD1      ARG  41  -0.339  -2.688   2.272
  315    HE   ARG  41           HE       ARG  41  -1.827  -5.189   1.857
  316   1HH1  ARG  41          HH21      ARG  41  -3.276  -3.499   3.862
  317   2HH1  ARG  41          HH22      ARG  41  -2.534  -3.981   5.352
  318   1HH2  ARG  41          HH11      ARG  41   0.203  -5.460   3.745
  319   2HH2  ARG  41          HH12      ARG  41  -0.513  -5.120   5.284
  320    H    GLU  42           HN       GLU  42  -3.002   2.395   2.462
  321    HA   GLU  42           HA       GLU  42  -3.599   1.384   5.139
  322   1HB   GLU  42           HB2      GLU  42  -3.701   4.290   4.386
  323   2HB   GLU  42           HB1      GLU  42  -3.156   3.554   5.889
  324   1HG   GLU  42           HG2      GLU  42  -1.732   3.635   3.223
  325   2HG   GLU  42           HG1      GLU  42  -1.144   4.182   4.791
  326    H    ASP  43           HN       ASP  43  -5.531   1.480   2.657
  327    HA   ASP  43           HA       ASP  43  -7.895   2.393   4.251
  328   1HB   ASP  43           HB2      ASP  43  -7.194   2.953   1.378
  329   2HB   ASP  43           HB1      ASP  43  -8.874   2.954   1.908
  330    H    VAL  44           HN       VAL  44  -6.517   0.169   1.954
  331    HA   VAL  44           HA       VAL  44  -8.987  -1.319   1.525
  332    HB   VAL  44           HB       VAL  44  -6.117  -2.131   0.989
  333   1HG1  VAL  44          HG12      VAL  44  -8.777  -3.149  -0.061
  334   2HG1  VAL  44          HG11      VAL  44  -7.204  -3.647  -0.670
  335   3HG1  VAL  44          HG13      VAL  44  -7.668  -4.031   0.984
  336   1HG2  VAL  44          HG23      VAL  44  -7.732  -0.095  -0.191
  337   2HG2  VAL  44          HG22      VAL  44  -6.158  -0.669  -0.732
  338   3HG2  VAL  44          HG21      VAL  44  -7.628  -1.418  -1.348
  339    H    GLU  45           HN       GLU  45  -6.490  -1.287   3.885
  340    HA   GLU  45           HA       GLU  45  -6.330  -3.869   4.866
  341   1HB   GLU  45           HB2      GLU  45  -6.323  -1.185   6.147
  342   2HB   GLU  45           HB1      GLU  45  -6.507  -2.573   7.213
  343   1HG   GLU  45           HG2      GLU  45  -4.373  -2.594   5.089
  344   2HG   GLU  45           HG1      GLU  45  -4.088  -1.748   6.608
  345    H    LYS  46           HN       LYS  46  -8.789  -1.526   5.948
  346    HA   LYS  46           HA       LYS  46 -10.343  -3.352   7.450
  347   1HB   LYS  46           HB2      LYS  46 -10.678  -0.667   6.358
  348   2HB   LYS  46           HB1      LYS  46 -12.192  -1.564   6.386
  349   1HG   LYS  46           HG2      LYS  46 -11.904  -2.066   8.757
  350   2HG   LYS  46           HG1      LYS  46 -10.311  -1.320   8.756
  351   1HD   LYS  46           HD2      LYS  46 -11.369   0.850   8.106
  352   2HD   LYS  46           HD1      LYS  46 -12.950   0.086   8.222
  353   1HE   LYS  46           HE2      LYS  46 -12.382  -0.524  10.613
  354   2HE   LYS  46           HE1      LYS  46 -10.936   0.464  10.458
  355   1HZ   LYS  46           HZ2      LYS  46 -12.495   2.306   9.769
  356   2HZ   LYS  46           HZ1      LYS  46 -13.758   1.327  10.344
  357   3HZ   LYS  46           HZ3      LYS  46 -12.537   1.845  11.404
  358    H    HIS  47           HN       HIS  47 -10.242  -2.747   4.010
  359    HA   HIS  47           HA       HIS  47 -12.688  -4.115   3.342
  360   1HB   HIS  47           HB2      HIS  47 -11.254  -2.533   1.880
  361   2HB   HIS  47           HB1      HIS  47 -10.295  -3.965   1.521
  362    HD1  HIS  47           HD1      HIS  47 -13.200  -2.335   0.392
  363    HD2  HIS  47           HD2      HIS  47 -12.041  -6.208   0.563
  364    HE1  HIS  47           HE1      HIS  47 -14.658  -3.486  -1.166
  365    H    LEU  48           HN       LEU  48  -9.344  -5.192   2.737
  366    HA   LEU  48           HA       LEU  48  -9.844  -7.856   2.127
  367   1HB   LEU  48           HB2      LEU  48  -7.570  -6.460   3.477
  368   2HB   LEU  48           HB1      LEU  48  -7.578  -8.220   3.477
  369    HG   LEU  48           HG       LEU  48  -8.157  -6.805   0.896
  370   1HD1  LEU  48          HD11      LEU  48  -5.385  -7.198   2.078
  371   2HD1  LEU  48          HD13      LEU  48  -5.723  -6.684   0.428
  372   3HD1  LEU  48          HD12      LEU  48  -6.160  -5.645   1.781
  373   1HD2  LEU  48          HD21      LEU  48  -8.244  -9.323   1.243
  374   2HD2  LEU  48          HD23      LEU  48  -7.153  -8.797  -0.034
  375   3HD2  LEU  48          HD22      LEU  48  -6.508  -9.271   1.534
  376    H    ALA  49           HN       ALA  49 -10.513  -9.630   3.201
  377    HA   ALA  49           HA       ALA  49 -10.433  -9.676   6.157
  378   1HB   ALA  49           HB1      ALA  49 -12.743  -8.839   4.845
  379   2HB   ALA  49           HB3      ALA  49 -13.053 -10.534   5.207
  380   3HB   ALA  49           HB2      ALA  49 -12.649  -9.415   6.507
  381    H    LYS  50           HN       LYS  50  -9.468 -11.567   6.547
  382    HA   LYS  50           HA       LYS  50  -9.930 -13.850   4.714
  383   1HB   LYS  50           HB2      LYS  50  -7.663 -12.948   5.950
  384   2HB   LYS  50           HB1      LYS  50  -8.164 -14.231   7.046
  385   1HG   LYS  50           HG2      LYS  50  -8.372 -15.768   5.070
  386   2HG   LYS  50           HG1      LYS  50  -7.726 -14.485   4.051
  387   1HD   LYS  50           HD2      LYS  50  -5.814 -14.467   5.921
  388   2HD   LYS  50           HD1      LYS  50  -6.343 -16.131   6.133
  389   1HE   LYS  50           HE2      LYS  50  -4.741 -16.391   4.456
  390   2HE   LYS  50           HE1      LYS  50  -6.200 -16.196   3.494
  391   1HZ   LYS  50           HZ2      LYS  50  -5.435 -13.654   3.856
  392   2HZ   LYS  50           HZ1      LYS  50  -3.932 -14.442   3.777
  393   3HZ   LYS  50           HZ3      LYS  50  -5.040 -14.595   2.499
  394    H    ALA  51           HN       ALA  51 -11.270 -15.475   5.210
  395    HA   ALA  51           HA       ALA  51 -12.612 -15.456   7.835
  396   1HB   ALA  51           HB3      ALA  51 -13.215 -16.417   5.163
  397   2HB   ALA  51           HB2      ALA  51 -13.517 -17.666   6.366
  398   3HB   ALA  51           HB1      ALA  51 -14.312 -16.102   6.504
   
 Raw file had 398 H/Q atoms
  Start of MODEL   37
    1    OH   TYR   1           OH       TYR   1  25.593  -8.695  -8.687
    2   1H    TYR   1           HT3      TYR   1  21.448  -9.009  -2.741
    3   2H    TYR   1           HT2      TYR   1  21.102  -8.568  -4.344
    4   3H    TYR   1           HT1      TYR   1  22.606  -9.256  -3.958
    5    HA   TYR   1           HA       TYR   1  23.435  -7.358  -3.069
    6   1HB   TYR   1           HB2      TYR   1  21.299  -6.367  -4.979
    7   2HB   TYR   1           HB1      TYR   1  22.666  -5.408  -4.416
    8    HD1  TYR   1           HD1      TYR   1  25.009  -6.180  -4.968
    9    HD2  TYR   1           HD2      TYR   1  21.581  -7.999  -6.709
   10    HE1  TYR   1           HE1      TYR   1  26.418  -7.165  -6.715
   11    HE2  TYR   1           HE2      TYR   1  22.991  -8.984  -8.456
   12    HH   TYR   1           HH       TYR   1  25.193  -8.498  -9.538
   13    H    ALA   2           HN       ALA   2  22.538  -7.702  -0.882
   14    HA   ALA   2           HA       ALA   2  20.948  -5.354  -0.095
   15   1HB   ALA   2           HB2      ALA   2  19.973  -8.189   0.286
   16   2HB   ALA   2           HB1      ALA   2  19.370  -6.842   1.247
   17   3HB   ALA   2           HB3      ALA   2  19.131  -6.855  -0.497
   18    H    SER   3           HN       SER   3  20.813  -5.173   2.301
   19    HA   SER   3           HA       SER   3  22.849  -6.765   3.760
   20   1HB   SER   3           HB2      SER   3  23.853  -4.590   2.738
   21   2HB   SER   3           HB1      SER   3  22.916  -3.757   3.993
   22    HG   SER   3           HG1      SER   3  24.627  -4.316   5.139
   23    H    LEU   4           HN       LEU   4  22.675  -4.464   5.792
   24    HA   LEU   4           HA       LEU   4  20.266  -5.529   7.145
   25   1HB   LEU   4           HB2      LEU   4  21.181  -4.114   9.076
   26   2HB   LEU   4           HB1      LEU   4  22.175  -5.474   8.564
   27    HG   LEU   4           HG       LEU   4  22.662  -2.917   7.130
   28   1HD1  LEU   4          HD11      LEU   4  23.153  -3.310  10.084
   29   2HD1  LEU   4          HD13      LEU   4  24.214  -2.282   9.125
   30   3HD1  LEU   4          HD12      LEU   4  22.501  -1.897   9.260
   31   1HD2  LEU   4          HD23      LEU   4  23.901  -5.210   6.993
   32   2HD2  LEU   4          HD22      LEU   4  24.875  -3.744   7.063
   33   3HD2  LEU   4          HD21      LEU   4  24.650  -4.722   8.510
   34    H    GLU   5           HN       GLU   5  21.061  -2.474   8.255
   35    HA   GLU   5           HA       GLU   5  18.598  -1.360   7.026
   36   1HB   GLU   5           HB2      GLU   5  20.331  -0.314   9.281
   37   2HB   GLU   5           HB1      GLU   5  18.811   0.398   8.752
   38   1HG   GLU   5           HG2      GLU   5  17.589  -1.615   9.360
   39   2HG   GLU   5           HG1      GLU   5  19.088  -2.468   9.714
   40    H    GLU   6           HN       GLU   6  18.653   0.187   5.505
   41    HA   GLU   6           HA       GLU   6  21.194   1.698   5.085
   42   1HB   GLU   6           HB2      GLU   6  20.839  -0.315   3.490
   43   2HB   GLU   6           HB1      GLU   6  19.574   0.668   2.763
   44   1HG   GLU   6           HG2      GLU   6  21.282   1.514   1.497
   45   2HG   GLU   6           HG1      GLU   6  21.627   2.484   2.926
   46    H    GLN   7           HN       GLN   7  19.863   2.701   2.552
   47    HA   GLN   7           HA       GLN   7  18.281   4.825   3.901
   48   1HB   GLN   7           HB2      GLN   7  20.246   4.919   1.945
   49   2HB   GLN   7           HB1      GLN   7  18.757   5.154   1.036
   50   1HG   GLN   7           HG2      GLN   7  18.093   6.924   2.698
   51   2HG   GLN   7           HG1      GLN   7  19.676   6.751   3.450
   52   1HE2  GLN   7          HE22      GLN   7  19.503   8.329  -0.352
   53   2HE2  GLN   7          HE21      GLN   7  18.315   7.219   0.137
   54    H    ASN   8           HN       ASN   8  17.690   1.952   2.433
   55    HA   ASN   8           HA       ASN   8  14.888   2.667   1.941
   56   1HB   ASN   8           HB2      ASN   8  14.807   2.396  -0.348
   57   2HB   ASN   8           HB1      ASN   8  16.441   3.039  -0.204
   58   1HD2  ASN   8          HD22      ASN   8  15.895  -0.705  -1.579
   59   2HD2  ASN   8          HD21      ASN   8  14.605   0.361  -1.298
   60    H    ASN   9           HN       ASN   9  13.581   0.970   2.359
   61    HA   ASN   9           HA       ASN   9  14.518  -1.790   2.047
   62   1HB   ASN   9           HB2      ASN   9  14.048  -0.582   4.782
   63   2HB   ASN   9           HB1      ASN   9  14.072  -2.319   4.487
   64   1HD2  ASN   9          HD22      ASN   9  17.585  -2.498   4.254
   65   2HD2  ASN   9          HD21      ASN   9  16.107  -3.331   4.183
   66    H    ASP  10           HN       ASP  10  12.283  -1.307   4.562
   67    HA   ASP  10           HA       ASP  10  10.060  -2.102   2.738
   68   1HB   ASP  10           HB2      ASP  10  10.110  -3.695   4.429
   69   2HB   ASP  10           HB1      ASP  10  10.646  -2.537   5.644
   70    H    ALA  11           HN       ALA  11   8.962  -0.363   2.037
   71    HA   ALA  11           HA       ALA  11   7.934   1.534   4.081
   72   1HB   ALA  11           HB1      ALA  11   9.526   2.259   1.626
   73   2HB   ALA  11           HB3      ALA  11   8.411   3.403   2.367
   74   3HB   ALA  11           HB2      ALA  11   9.778   2.785   3.287
   75    H    LEU  12           HN       LEU  12   7.814   2.016   0.620
   76    HA   LEU  12           HA       LEU  12   4.864   1.769   0.747
   77   1HB   LEU  12           HB2      LEU  12   6.769   2.893  -1.308
   78   2HB   LEU  12           HB1      LEU  12   5.050   2.682  -1.638
   79    HG   LEU  12           HG       LEU  12   5.753   4.033   0.925
   80   1HD1  LEU  12          HD13      LEU  12   6.075   5.335  -1.800
   81   2HD1  LEU  12          HD12      LEU  12   6.024   6.213  -0.275
   82   3HD1  LEU  12          HD11      LEU  12   7.345   5.098  -0.605
   83   1HD2  LEU  12          HD22      LEU  12   3.414   3.605   0.106
   84   2HD2  LEU  12          HD21      LEU  12   3.751   5.312   0.370
   85   3HD2  LEU  12          HD23      LEU  12   3.744   4.659  -1.265
   86    H    SER  13           HN       SER  13   3.782   0.730  -1.145
   87    HA   SER  13           HA       SER  13   5.151  -1.835  -1.787
   88   1HB   SER  13           HB2      SER  13   2.440  -2.084  -2.436
   89   2HB   SER  13           HB1      SER  13   3.218  -2.683  -0.958
   90    HG   SER  13           HG1      SER  13   2.734  -0.825   0.071
   91    HA   PRO  14           HA       PRO  14   5.206   0.292  -5.866
   92   1HB   PRO  14           HB2      PRO  14   6.678  -1.969  -6.913
   93   2HB   PRO  14           HB1      PRO  14   7.226  -0.306  -6.694
   94   1HG   PRO  14           HG2      PRO  14   8.004  -2.574  -5.133
   95   2HG   PRO  14           HG1      PRO  14   8.391  -0.885  -4.799
   96   1HD   PRO  14           HD1      PRO  14   6.498  -2.626  -3.423
   97   2HD   PRO  14           HD2      PRO  14   7.022  -0.995  -2.961
   98    H    ALA  15           HN       ALA  15   3.928  -2.609  -4.766
   99    HA   ALA  15           HA       ALA  15   2.668  -3.270  -7.383
  100   1HB   ALA  15           HB1      ALA  15   3.750  -5.089  -6.017
  101   2HB   ALA  15           HB3      ALA  15   2.530  -4.809  -4.777
  102   3HB   ALA  15           HB2      ALA  15   2.049  -5.383  -6.370
  103    H    ILE  16           HN       ILE  16   2.063  -1.094  -5.204
  104    HA   ILE  16           HA       ILE  16  -0.527  -1.625  -4.145
  105    HB   ILE  16           HB       ILE  16   1.047   0.303  -3.552
  106   1HG1  ILE  16          HG12      ILE  16  -1.876   0.894  -4.146
  107   2HG1  ILE  16          HG11      ILE  16  -1.261   0.132  -2.683
  108   1HG2  ILE  16          HG22      ILE  16   1.071   0.914  -6.127
  109   2HG2  ILE  16          HG21      ILE  16  -0.379   1.823  -5.712
  110   3HG2  ILE  16          HG23      ILE  16   1.149   2.189  -4.915
  111   1HD1  ILE  16           HD3      ILE  16   0.242   2.273  -2.505
  112   2HD1  ILE  16           HD2      ILE  16  -0.932   2.982  -3.609
  113   3HD1  ILE  16           HD1      ILE  16  -1.451   2.386  -2.035
  114    NH1  ARG  17           NH2      ARG  17   1.329   3.570 -11.300
  115    NH2  ARG  17           NH1      ARG  17   2.387   2.296 -12.876
  116    H    ARG  17           HN       ARG  17   0.522  -0.635  -7.309
  117    HA   ARG  17           HA       ARG  17  -2.117   0.223  -8.202
  118   1HB   ARG  17           HB2      ARG  17   0.360  -0.516  -9.783
  119   2HB   ARG  17           HB1      ARG  17  -1.074   0.260 -10.449
  120   1HG   ARG  17           HG2      ARG  17  -0.468   2.291  -9.639
  121   2HG   ARG  17           HG1      ARG  17  -0.072   1.626  -8.058
  122   1HD   ARG  17           HD2      ARG  17   1.939   2.567  -9.182
  123   2HD   ARG  17           HD1      ARG  17   2.100   0.831  -8.922
  124    HE   ARG  17           HE       ARG  17   1.794   0.486 -11.294
  125   1HH1  ARG  17          HH21      ARG  17   0.902   3.637 -10.400
  126   2HH1  ARG  17          HH22      ARG  17   1.383   4.377 -11.889
  127   1HH2  ARG  17          HH11      ARG  17   2.750   1.407 -13.155
  128   2HH2  ARG  17          HH12      ARG  17   2.458   3.081 -13.491
  129    NH1  ARG  18           NH1      ARG  18  -0.145  -3.149 -14.532
  130    NH2  ARG  18           NH2      ARG  18   0.176  -5.345 -15.073
  131    H    ARG  18           HN       ARG  18  -0.249  -2.742  -8.286
  132    HA   ARG  18           HA       ARG  18  -2.314  -4.079  -9.933
  133   1HB   ARG  18           HB2      ARG  18   0.264  -5.151  -8.759
  134   2HB   ARG  18           HB1      ARG  18  -0.777  -6.001  -9.895
  135   1HG   ARG  18           HG2      ARG  18  -0.214  -3.367 -10.921
  136   2HG   ARG  18           HG1      ARG  18   1.302  -4.158 -10.499
  137   1HD   ARG  18           HD2      ARG  18   0.583  -6.165 -11.802
  138   2HD   ARG  18           HD1      ARG  18  -0.882  -5.305 -12.275
  139    HE   ARG  18           HE       ARG  18   1.829  -4.253 -12.978
  140   1HH1  ARG  18          HH11      ARG  18  -0.029  -2.402 -13.876
  141   2HH1  ARG  18          HH12      ARG  18  -0.604  -2.980 -15.404
  142   1HH2  ARG  18          HH21      ARG  18   0.532  -6.245 -14.823
  143   2HH2  ARG  18          HH22      ARG  18  -0.278  -5.214 -15.955
  144    H    LEU  19           HN       LEU  19  -1.871  -3.382  -6.731
  145    HA   LEU  19           HA       LEU  19  -2.516  -5.830  -5.417
  146   1HB   LEU  19           HB2      LEU  19  -1.768  -3.585  -4.398
  147   2HB   LEU  19           HB1      LEU  19  -3.464  -3.128  -4.472
  148    HG   LEU  19           HG       LEU  19  -3.711  -5.578  -3.348
  149   1HD1  LEU  19          HD13      LEU  19  -1.170  -5.777  -3.384
  150   2HD1  LEU  19          HD12      LEU  19  -1.130  -4.478  -2.196
  151   3HD1  LEU  19          HD11      LEU  19  -1.910  -6.007  -1.803
  152   1HD2  LEU  19          HD21      LEU  19  -3.091  -2.935  -1.991
  153   2HD2  LEU  19          HD23      LEU  19  -4.682  -3.573  -2.396
  154   3HD2  LEU  19          HD22      LEU  19  -3.720  -4.339  -1.135
  155    H    LEU  20           HN       LEU  20  -4.639  -3.169  -6.459
  156    HA   LEU  20           HA       LEU  20  -7.106  -4.261  -5.686
  157   1HB   LEU  20           HB2      LEU  20  -6.373  -2.584  -8.091
  158   2HB   LEU  20           HB1      LEU  20  -8.037  -2.980  -7.679
  159    HG   LEU  20           HG       LEU  20  -6.303  -1.888  -5.501
  160   1HD1  LEU  20          HD13      LEU  20  -7.462  -0.250  -7.781
  161   2HD1  LEU  20          HD12      LEU  20  -6.896   0.437  -6.262
  162   3HD1  LEU  20          HD11      LEU  20  -5.762  -0.376  -7.337
  163   1HD2  LEU  20          HD21      LEU  20  -8.677  -2.600  -5.156
  164   2HD2  LEU  20          HD23      LEU  20  -8.436  -0.889  -4.819
  165   3HD2  LEU  20          HD22      LEU  20  -9.183  -1.391  -6.333
  166    H    ALA  21           HN       ALA  21  -5.089  -5.043  -8.438
  167    HA   ALA  21           HA       ALA  21  -7.131  -6.850  -9.565
  168   1HB   ALA  21           HB3      ALA  21  -5.114  -5.389 -10.708
  169   2HB   ALA  21           HB2      ALA  21  -4.387  -6.990 -10.632
  170   3HB   ALA  21           HB1      ALA  21  -5.911  -6.756 -11.482
  171    H    GLU  22           HN       GLU  22  -4.511  -6.966  -7.379
  172    HA   GLU  22           HA       GLU  22  -3.786  -9.743  -7.750
  173   1HB   GLU  22           HB2      GLU  22  -2.364  -8.001  -6.604
  174   2HB   GLU  22           HB1      GLU  22  -3.476  -8.076  -5.242
  175   1HG   GLU  22           HG2      GLU  22  -2.287  -9.838  -4.465
  176   2HG   GLU  22           HG1      GLU  22  -2.862 -10.762  -5.850
  177    H    HIS  23           HN       HIS  23  -5.958  -8.027  -5.547
  178    HA   HIS  23           HA       HIS  23  -6.988 -10.650  -4.568
  179   1HB   HIS  23           HB2      HIS  23  -7.517  -7.882  -3.465
  180   2HB   HIS  23           HB1      HIS  23  -7.922  -9.415  -2.701
  181    HD1  HIS  23           HD1      HIS  23  -5.464 -10.908  -2.766
  182    HD2  HIS  23           HD2      HIS  23  -5.302  -6.890  -2.231
  183    HE1  HIS  23           HE1      HIS  23  -3.311 -10.502  -1.725
  184    H    ASN  24           HN       ASN  24  -7.630  -8.551  -6.966
  185    HA   ASN  24           HA       ASN  24  -9.550  -8.069  -8.236
  186   1HB   ASN  24           HB2      ASN  24  -9.598 -10.606  -8.148
  187   2HB   ASN  24           HB1      ASN  24 -10.745 -10.459  -6.818
  188   1HD2  ASN  24          HD22      ASN  24 -12.544  -8.409  -9.696
  189   2HD2  ASN  24          HD21      ASN  24 -11.335  -7.794  -8.677
  190    H    LEU  25           HN       LEU  25  -9.691  -6.175  -6.704
  191    HA   LEU  25           HA       LEU  25 -12.376  -6.208  -5.419
  192   1HB   LEU  25           HB2      LEU  25  -9.755  -5.638  -4.105
  193   2HB   LEU  25           HB1      LEU  25 -11.133  -4.650  -3.638
  194    HG   LEU  25           HG       LEU  25 -11.498  -7.627  -3.782
  195   1HD1  LEU  25          HD13      LEU  25  -9.822  -6.116  -1.808
  196   2HD1  LEU  25          HD12      LEU  25 -10.845  -7.417  -1.206
  197   3HD1  LEU  25          HD11      LEU  25  -9.617  -7.754  -2.422
  198   1HD2  LEU  25          HD21      LEU  25 -13.403  -6.098  -3.317
  199   2HD2  LEU  25          HD23      LEU  25 -13.061  -7.129  -1.932
  200   3HD2  LEU  25          HD22      LEU  25 -12.534  -5.449  -1.931
  201    H    ASP  26           HN       ASP  26 -13.488  -4.300  -5.609
  202    HA   ASP  26           HA       ASP  26 -12.306  -2.308  -7.445
  203   1HB   ASP  26           HB2      ASP  26 -15.064  -2.005  -6.346
  204   2HB   ASP  26           HB1      ASP  26 -14.470  -1.708  -7.977
  205    H    ALA  27           HN       ALA  27 -11.364  -0.520  -6.703
  206    HA   ALA  27           HA       ALA  27 -11.459   0.189  -3.887
  207   1HB   ALA  27           HB3      ALA  27  -9.864   0.858  -6.168
  208   2HB   ALA  27           HB2      ALA  27 -10.436   2.353  -5.436
  209   3HB   ALA  27           HB1      ALA  27  -9.532   1.191  -4.471
  210    H    SER  28           HN       SER  28 -13.327   0.982  -6.647
  211    HA   SER  28           HA       SER  28 -14.237   3.573  -6.186
  212   1HB   SER  28           HB2      SER  28 -16.087   3.030  -7.519
  213   2HB   SER  28           HB1      SER  28 -14.993   1.695  -7.930
  214    HG   SER  28           HG1      SER  28 -17.231   1.739  -6.267
  215    H    ALA  29           HN       ALA  29 -14.937   0.674  -4.376
  216    HA   ALA  29           HA       ALA  29 -17.008   2.008  -2.761
  217   1HB   ALA  29           HB2      ALA  29 -16.240  -0.693  -3.314
  218   2HB   ALA  29           HB1      ALA  29 -16.174  -0.441  -1.573
  219   3HB   ALA  29           HB3      ALA  29 -17.664  -0.121  -2.453
  220    H    ILE  30           HN       ILE  30 -13.616   1.332  -2.632
  221    HA   ILE  30           HA       ILE  30 -13.459   1.977   0.251
  222    HB   ILE  30           HB       ILE  30 -11.206   1.430  -1.703
  223   1HG1  ILE  30          HG12      ILE  30 -12.687  -0.492  -1.718
  224   2HG1  ILE  30          HG11      ILE  30 -11.285  -0.904  -0.747
  225   1HG2  ILE  30          HG23      ILE  30 -11.335   2.098   1.138
  226   2HG2  ILE  30          HG22      ILE  30 -10.522   0.561   0.875
  227   3HG2  ILE  30          HG21      ILE  30  -9.936   2.012   0.076
  228   1HD1  ILE  30           HD1      ILE  30 -12.751  -0.023   1.259
  229   2HD1  ILE  30           HD3      ILE  30 -14.093  -0.280   0.152
  230   3HD1  ILE  30           HD2      ILE  30 -13.060  -1.628   0.612
  231    H    LYS  31           HN       LYS  31 -13.461   4.059   0.815
  232    HA   LYS  31           HA       LYS  31 -12.957   6.218  -1.004
  233   1HB   LYS  31           HB2      LYS  31 -13.175   6.015   1.992
  234   2HB   LYS  31           HB1      LYS  31 -12.736   7.538   1.225
  235   1HG   LYS  31           HG2      LYS  31 -15.092   6.049   0.131
  236   2HG   LYS  31           HG1      LYS  31 -15.292   6.898   1.660
  237   1HD   LYS  31           HD2      LYS  31 -14.895   8.992   0.704
  238   2HD   LYS  31           HD1      LYS  31 -13.967   8.318  -0.633
  239   1HE   LYS  31           HE2      LYS  31 -16.031   7.348  -1.583
  240   2HE   LYS  31           HE1      LYS  31 -16.963   7.996  -0.240
  241   1HZ   LYS  31           HZ2      LYS  31 -15.906  10.222  -1.006
  242   2HZ   LYS  31           HZ1      LYS  31 -15.709   9.408  -2.483
  243   3HZ   LYS  31           HZ3      LYS  31 -17.260   9.597  -1.818
  244    H    GLY  32           HN       GLY  32 -11.192   7.720  -0.994
  245   1HA   GLY  32           HA2      GLY  32  -8.660   6.712   0.218
  246   2HA   GLY  32           HA1      GLY  32  -8.701   7.067  -1.505
  247    H    THR  33           HN       THR  33  -9.993   8.731   1.364
  248    HA   THR  33           HA       THR  33  -9.635  11.356   0.433
  249    HB   THR  33           HB       THR  33  -9.734  12.039   2.813
  250    HG1  THR  33           HG1      THR  33  -8.959  10.667   4.262
  251   1HG2  THR  33          HG21      THR  33 -11.691  10.547   1.620
  252   2HG2  THR  33          HG23      THR  33 -11.270   9.489   2.962
  253   3HG2  THR  33          HG22      THR  33 -11.818  11.132   3.277
  254    H    GLY  34           HN       GLY  34  -7.440   9.643   2.657
  255   1HA   GLY  34           HA2      GLY  34  -5.169  10.077   3.133
  256   2HA   GLY  34           HA1      GLY  34  -5.022  10.054   1.380
  257    H    VAL  35           HN       VAL  35  -3.319  11.637   1.692
  258    HA   VAL  35           HA       VAL  35  -4.004  14.273   2.741
  259    HB   VAL  35           HB       VAL  35  -1.599  13.279   1.191
  260   1HG1  VAL  35          HG13      VAL  35  -2.470  15.970   2.013
  261   2HG1  VAL  35          HG12      VAL  35  -0.858  15.551   2.581
  262   3HG1  VAL  35          HG11      VAL  35  -1.225  15.502   0.860
  263   1HG2  VAL  35          HG23      VAL  35  -1.935  12.312   3.468
  264   2HG2  VAL  35          HG22      VAL  35  -0.509  13.342   3.393
  265   3HG2  VAL  35          HG21      VAL  35  -1.991  13.943   4.130
  266    H    GLY  36           HN       GLY  36  -5.943  14.056   1.071
  267   1HA   GLY  36           HA2      GLY  36  -6.843  15.545  -0.593
  268   2HA   GLY  36           HA1      GLY  36  -5.207  15.860  -1.159
  269    H    GLY  37           HN       GLY  37  -7.902  13.635  -1.274
  270   1HA   GLY  37           HA2      GLY  37  -8.332  11.809  -2.707
  271   2HA   GLY  37           HA1      GLY  37  -7.694  12.901  -3.932
  272    NH1  ARG  38           NH1      ARG  38  -1.509   7.235  -4.644
  273    NH2  ARG  38           NH2      ARG  38   0.342   6.429  -3.574
  274    H    ARG  38           HN       ARG  38  -6.488  10.781  -1.331
  275    HA   ARG  38           HA       ARG  38  -4.560   9.627  -3.279
  276   1HB   ARG  38           HB2      ARG  38  -3.686  11.561  -1.617
  277   2HB   ARG  38           HB1      ARG  38  -3.502  10.173  -0.553
  278   1HG   ARG  38           HG2      ARG  38  -2.362  10.389  -3.364
  279   2HG   ARG  38           HG1      ARG  38  -1.442  10.574  -1.877
  280   1HD   ARG  38           HD2      ARG  38  -2.203   8.244  -1.221
  281   2HD   ARG  38           HD1      ARG  38  -2.866   8.075  -2.844
  282    HE   ARG  38           HE       ARG  38   0.034   8.673  -2.419
  283   1HH1  ARG  38          HH11      ARG  38  -2.249   7.905  -4.688
  284   2HH1  ARG  38          HH12      ARG  38  -1.432   6.528  -5.349
  285   1HH2  ARG  38          HH21      ARG  38   0.989   6.496  -2.814
  286   2HH2  ARG  38          HH22      ARG  38   0.450   5.710  -4.260
  287    H    LEU  39           HN       LEU  39  -5.351   7.587  -3.281
  288    HA   LEU  39           HA       LEU  39  -6.517   6.259  -1.042
  289   1HB   LEU  39           HB2      LEU  39  -6.812   5.534  -3.404
  290   2HB   LEU  39           HB1      LEU  39  -5.128   5.032  -3.444
  291    HG   LEU  39           HG       LEU  39  -5.576   3.426  -1.587
  292   1HD1  LEU  39          HD12      LEU  39  -8.260   4.751  -1.748
  293   2HD1  LEU  39          HD11      LEU  39  -8.214   3.031  -1.371
  294   3HD1  LEU  39          HD13      LEU  39  -7.379   4.184  -0.334
  295   1HD2  LEU  39          HD22      LEU  39  -5.787   2.722  -3.964
  296   2HD2  LEU  39          HD21      LEU  39  -6.895   1.838  -2.921
  297   3HD2  LEU  39          HD23      LEU  39  -7.493   3.154  -3.926
  298    H    THR  40           HN       THR  40  -5.613   5.388   0.715
  299    HA   THR  40           HA       THR  40  -2.649   5.162   0.812
  300    HB   THR  40           HB       THR  40  -3.010   5.008   3.301
  301    HG1  THR  40           HG1      THR  40  -4.984   4.504   3.876
  302   1HG2  THR  40          HG22      THR  40  -4.505   7.236   1.862
  303   2HG2  THR  40          HG21      THR  40  -4.174   7.245   3.592
  304   3HG2  THR  40          HG23      THR  40  -2.842   7.301   2.441
  305    NH1  ARG  41           NH1      ARG  41  -1.440  -3.271   0.655
  306    NH2  ARG  41           NH2      ARG  41   0.614  -3.487  -0.325
  307    H    ARG  41           HN       ARG  41  -2.166   3.290   2.636
  308    HA   ARG  41           HA       ARG  41  -3.110   0.804   1.299
  309   1HB   ARG  41           HB2      ARG  41  -0.709   1.006   1.407
  310   2HB   ARG  41           HB1      ARG  41  -0.768   1.369   3.128
  311   1HG   ARG  41           HG2      ARG  41  -1.272  -0.832   3.714
  312   2HG   ARG  41           HG1      ARG  41  -1.997  -1.190   2.151
  313   1HD   ARG  41           HD2      ARG  41   0.936  -0.528   2.304
  314   2HD   ARG  41           HD1      ARG  41   0.388  -2.154   2.706
  315    HE   ARG  41           HE       ARG  41   0.189  -0.880   0.034
  316   1HH1  ARG  41          HH11      ARG  41  -2.088  -2.708   1.167
  317   2HH1  ARG  41          HH12      ARG  41  -1.689  -4.200   0.383
  318   1HH2  ARG  41          HH21      ARG  41   1.503  -3.088  -0.547
  319   2HH2  ARG  41          HH22      ARG  41   0.399  -4.421  -0.614
  320    H    GLU  42           HN       GLU  42  -3.231   2.520   4.308
  321    HA   GLU  42           HA       GLU  42  -4.143   0.216   5.864
  322   1HB   GLU  42           HB2      GLU  42  -3.350   2.951   6.386
  323   2HB   GLU  42           HB1      GLU  42  -4.849   2.568   7.224
  324   1HG   GLU  42           HG2      GLU  42  -2.384   0.799   7.306
  325   2HG   GLU  42           HG1      GLU  42  -2.766   1.997   8.540
  326    H    ASP  43           HN       ASP  43  -5.571   1.947   3.495
  327    HA   ASP  43           HA       ASP  43  -8.251   2.054   4.776
  328   1HB   ASP  43           HB2      ASP  43  -7.010   3.262   2.348
  329   2HB   ASP  43           HB1      ASP  43  -8.745   2.961   2.312
  330    H    VAL  44           HN       VAL  44  -6.468   0.385   2.259
  331    HA   VAL  44           HA       VAL  44  -8.875  -1.168   1.499
  332    HB   VAL  44           HB       VAL  44  -6.044  -1.354   0.432
  333   1HG1  VAL  44          HG12      VAL  44  -8.717  -2.347  -0.621
  334   2HG1  VAL  44          HG11      VAL  44  -7.187  -2.460  -1.482
  335   3HG1  VAL  44          HG13      VAL  44  -7.422  -3.357   0.015
  336   1HG2  VAL  44          HG23      VAL  44  -7.143   0.898   0.133
  337   2HG2  VAL  44          HG22      VAL  44  -6.816   0.067  -1.385
  338   3HG2  VAL  44          HG21      VAL  44  -8.450   0.091  -0.729
  339    H    GLU  45           HN       GLU  45  -5.712  -1.613   3.004
  340    HA   GLU  45           HA       GLU  45  -5.688  -4.422   3.236
  341   1HB   GLU  45           HB2      GLU  45  -3.738  -3.182   3.876
  342   2HB   GLU  45           HB1      GLU  45  -4.635  -2.288   5.098
  343   1HG   GLU  45           HG2      GLU  45  -4.609  -4.043   6.592
  344   2HG   GLU  45           HG1      GLU  45  -4.693  -5.261   5.321
  345    H    LYS  46           HN       LYS  46  -7.135  -2.015   5.396
  346    HA   LYS  46           HA       LYS  46  -8.196  -4.052   7.196
  347   1HB   LYS  46           HB2      LYS  46  -7.631  -1.450   7.553
  348   2HB   LYS  46           HB1      LYS  46  -9.339  -1.300   7.164
  349   1HG   LYS  46           HG2      LYS  46  -9.468  -1.629   9.465
  350   2HG   LYS  46           HG1      LYS  46  -9.581  -3.293   8.907
  351   1HD   LYS  46           HD2      LYS  46  -7.144  -3.574   9.232
  352   2HD   LYS  46           HD1      LYS  46  -7.014  -1.900   9.759
  353   1HE   LYS  46           HE2      LYS  46  -7.970  -2.327  11.808
  354   2HE   LYS  46           HE1      LYS  46  -9.034  -3.574  11.169
  355   1HZ   LYS  46           HZ2      LYS  46  -6.483  -4.551  10.860
  356   2HZ   LYS  46           HZ1      LYS  46  -6.497  -3.842  12.403
  357   3HZ   LYS  46           HZ3      LYS  46  -7.634  -5.041  12.009
  358    H    HIS  47           HN       HIS  47  -8.936  -4.176   4.333
  359    HA   HIS  47           HA       HIS  47 -11.879  -4.319   4.741
  360   1HB   HIS  47           HB2      HIS  47 -10.984  -2.172   3.478
  361   2HB   HIS  47           HB1      HIS  47 -10.869  -3.287   2.119
  362    HD1  HIS  47           HD1      HIS  47 -13.300  -1.464   4.037
  363    HD2  HIS  47           HD2      HIS  47 -13.392  -4.540   1.392
  364    HE1  HIS  47           HE1      HIS  47 -15.624  -1.642   3.367
  365    H    LEU  48           HN       LEU  48  -9.151  -5.896   3.975
  366    HA   LEU  48           HA       LEU  48 -10.067  -7.411   1.651
  367   1HB   LEU  48           HB2      LEU  48  -7.816  -8.029   3.579
  368   2HB   LEU  48           HB1      LEU  48  -8.042  -8.735   1.983
  369    HG   LEU  48           HG       LEU  48  -7.631  -5.774   2.534
  370   1HD1  LEU  48          HD11      LEU  48  -5.601  -7.132   2.966
  371   2HD1  LEU  48          HD13      LEU  48  -5.750  -7.854   1.367
  372   3HD1  LEU  48          HD12      LEU  48  -5.404  -6.134   1.528
  373   1HD2  LEU  48          HD21      LEU  48  -8.182  -7.408   0.075
  374   2HD2  LEU  48          HD23      LEU  48  -8.781  -5.810   0.507
  375   3HD2  LEU  48          HD22      LEU  48  -7.127  -6.005  -0.066
  376    H    ALA  49           HN       ALA  49 -11.964  -7.449   3.739
  377    HA   ALA  49           HA       ALA  49 -11.868  -9.698   5.449
  378   1HB   ALA  49           HB1      ALA  49 -13.873  -7.852   4.501
  379   2HB   ALA  49           HB3      ALA  49 -14.535  -9.484   4.547
  380   3HB   ALA  49           HB2      ALA  49 -13.843  -8.773   6.002
  381    H    LYS  50           HN       LYS  50 -13.743 -11.490   5.005
  382    HA   LYS  50           HA       LYS  50 -12.784 -12.908   2.572
  383   1HB   LYS  50           HB2      LYS  50 -12.850 -13.861   5.035
  384   2HB   LYS  50           HB1      LYS  50 -14.529 -14.192   4.635
  385   1HG   LYS  50           HG2      LYS  50 -13.570 -16.152   3.832
  386   2HG   LYS  50           HG1      LYS  50 -13.444 -15.153   2.395
  387   1HD   LYS  50           HD2      LYS  50 -11.278 -16.198   2.774
  388   2HD   LYS  50           HD1      LYS  50 -11.130 -14.480   3.104
  389   1HE   LYS  50           HE2      LYS  50 -10.305 -16.471   4.817
  390   2HE   LYS  50           HE1      LYS  50 -10.670 -14.824   5.310
  391   1HZ   LYS  50           HZ2      LYS  50 -12.674 -17.005   5.246
  392   2HZ   LYS  50           HZ1      LYS  50 -11.795 -16.562   6.631
  393   3HZ   LYS  50           HZ3      LYS  50 -12.862 -15.453   5.910
  394    H    ALA  51           HN       ALA  51 -15.159 -14.697   2.759
  395    HA   ALA  51           HA       ALA  51 -16.762 -13.536   0.738
  396   1HB   ALA  51           HB2      ALA  51 -16.699 -15.973   1.395
  397   2HB   ALA  51           HB1      ALA  51 -17.713 -15.563   2.774
  398   3HB   ALA  51           HB3      ALA  51 -18.319 -15.335   1.136
   
 Raw file had 398 H/Q atoms
  Start of MODEL   38
    1    OH   TYR   1           OH       TYR   1  29.179   7.102  -0.763
    2   1H    TYR   1           HT2      TYR   1  22.686  10.197   2.369
    3   2H    TYR   1           HT1      TYR   1  22.590   8.504   2.270
    4   3H    TYR   1           HT3      TYR   1  24.090   9.255   2.539
    5    HA   TYR   1           HA       TYR   1  24.276  10.010   0.385
    6   1HB   TYR   1           HB2      TYR   1  23.219   7.270   0.674
    7   2HB   TYR   1           HB1      TYR   1  23.105   7.932  -0.954
    8    HD1  TYR   1           HD2      TYR   1  25.204   8.846  -2.046
    9    HD2  TYR   1           HD1      TYR   1  25.337   6.637   1.586
   10    HE1  TYR   1           HE2      TYR   1  27.601   8.453  -2.372
   11    HE2  TYR   1           HE1      TYR   1  27.734   6.244   1.259
   12    HH   TYR   1           HH       TYR   1  29.379   6.215  -0.455
   13    H    ALA   2           HN       ALA   2  21.331  10.357   1.674
   14    HA   ALA   2           HA       ALA   2  19.868  10.748  -0.871
   15   1HB   ALA   2           HB1      ALA   2  19.023  11.004   2.024
   16   2HB   ALA   2           HB3      ALA   2  17.955  11.320   0.661
   17   3HB   ALA   2           HB2      ALA   2  18.607   9.704   0.911
   18    H    SER   3           HN       SER   3  19.944  12.650  -1.881
   19    HA   SER   3           HA       SER   3  19.711  15.159  -0.423
   20   1HB   SER   3           HB2      SER   3  22.123  15.469  -1.984
   21   2HB   SER   3           HB1      SER   3  21.902  15.709  -0.239
   22    HG   SER   3           HG1      SER   3  23.125  13.952  -0.228
   23    H    LEU   4           HN       LEU   4  19.433  13.277  -3.138
   24    HA   LEU   4           HA       LEU   4  19.249  15.568  -5.017
   25   1HB   LEU   4           HB2      LEU   4  19.375  12.595  -5.299
   26   2HB   LEU   4           HB1      LEU   4  18.604  13.521  -6.581
   27    HG   LEU   4           HG       LEU   4  20.624  14.920  -6.805
   28   1HD1  LEU   4          HD12      LEU   4  21.610  13.159  -4.539
   29   2HD1  LEU   4          HD11      LEU   4  22.687  14.136  -5.532
   30   3HD1  LEU   4          HD13      LEU   4  21.458  14.914  -4.540
   31   1HD2  LEU   4          HD22      LEU   4  21.100  11.921  -6.848
   32   2HD2  LEU   4          HD21      LEU   4  20.550  12.924  -8.187
   33   3HD2  LEU   4          HD23      LEU   4  22.193  13.093  -7.577
   34    H    GLU   5           HN       GLU   5  17.266  13.337  -3.242
   35    HA   GLU   5           HA       GLU   5  14.865  14.828  -4.146
   36   1HB   GLU   5           HB2      GLU   5  15.299  11.859  -4.429
   37   2HB   GLU   5           HB1      GLU   5  13.679  12.538  -4.315
   38   1HG   GLU   5           HG2      GLU   5  14.153  14.003  -6.252
   39   2HG   GLU   5           HG1      GLU   5  15.780  13.335  -6.363
   40    H    GLU   6           HN       GLU   6  16.302  14.873  -1.678
   41    HA   GLU   6           HA       GLU   6  15.429  13.259   0.400
   42   1HB   GLU   6           HB2      GLU   6  16.182  16.113   0.171
   43   2HB   GLU   6           HB1      GLU   6  15.271  15.683   1.614
   44   1HG   GLU   6           HG2      GLU   6  17.635  14.027   0.719
   45   2HG   GLU   6           HG1      GLU   6  17.857  15.460   1.719
   46    H    GLN   7           HN       GLN   7  13.594  15.642  -1.371
   47    HA   GLN   7           HA       GLN   7  11.286  15.361   0.462
   48   1HB   GLN   7           HB2      GLN   7  11.644  17.009  -2.056
   49   2HB   GLN   7           HB1      GLN   7  10.233  17.064  -1.005
   50   1HG   GLN   7           HG2      GLN   7  11.376  18.148   0.702
   51   2HG   GLN   7           HG1      GLN   7  12.928  17.449   0.248
   52   1HE2  GLN   7          HE22      GLN   7  13.807  20.402  -1.426
   53   2HE2  GLN   7          HE21      GLN   7  14.267  19.124  -0.408
   54    H    ASN   8           HN       ASN   8  10.264  13.455   0.187
   55    HA   ASN   8           HA       ASN   8   9.445  12.717  -2.602
   56   1HB   ASN   8           HB2      ASN   8   9.448  10.326  -1.713
   57   2HB   ASN   8           HB1      ASN   8  11.034  11.066  -1.910
   58   1HD2  ASN   8          HD22      ASN   8  11.625  10.035   1.427
   59   2HD2  ASN   8          HD21      ASN   8  12.012   9.795  -0.208
   60    H    ASN   9           HN       ASN   9   7.610  14.183  -1.863
   61    HA   ASN   9           HA       ASN   9   5.796  13.492   0.185
   62   1HB   ASN   9           HB2      ASN   9   5.819  15.530  -1.449
   63   2HB   ASN   9           HB1      ASN   9   4.819  14.504  -2.474
   64   1HD2  ASN   9          HD22      ASN   9   2.390  14.255   0.409
   65   2HD2  ASN   9          HD21      ASN   9   3.411  13.126  -0.344
   66    H    ASP  10           HN       ASP  10   5.406  12.710  -3.272
   67    HA   ASP  10           HA       ASP  10   3.279  10.886  -2.983
   68   1HB   ASP  10           HB2      ASP  10   3.892  11.599  -5.187
   69   2HB   ASP  10           HB1      ASP  10   5.534  10.991  -4.996
   70    H    ALA  11           HN       ALA  11   3.167   8.647  -2.699
   71    HA   ALA  11           HA       ALA  11   5.618   7.100  -2.255
   72   1HB   ALA  11           HB3      ALA  11   4.265   8.369  -0.051
   73   2HB   ALA  11           HB2      ALA  11   4.152   6.619   0.112
   74   3HB   ALA  11           HB1      ALA  11   5.729   7.390  -0.028
   75    H    LEU  12           HN       LEU  12   5.191   5.241  -3.241
   76    HA   LEU  12           HA       LEU  12   2.510   3.973  -2.834
   77   1HB   LEU  12           HB2      LEU  12   4.088   4.247  -5.400
   78   2HB   LEU  12           HB1      LEU  12   2.760   3.107  -5.210
   79    HG   LEU  12           HG       LEU  12   2.264   5.942  -4.399
   80   1HD1  LEU  12          HD13      LEU  12   2.765   4.977  -7.203
   81   2HD1  LEU  12          HD12      LEU  12   1.537   6.207  -6.924
   82   3HD1  LEU  12          HD11      LEU  12   3.210   6.512  -6.463
   83   1HD2  LEU  12          HD21      LEU  12   0.557   4.148  -4.153
   84   2HD2  LEU  12          HD23      LEU  12   0.030   5.391  -5.284
   85   3HD2  LEU  12          HD22      LEU  12   0.637   3.851  -5.887
   86    H    SER  13           HN       SER  13   2.541   1.766  -2.502
   87    HA   SER  13           HA       SER  13   5.147   0.631  -1.837
   88   1HB   SER  13           HB2      SER  13   2.433   0.144  -1.072
   89   2HB   SER  13           HB1      SER  13   3.127  -1.372  -1.679
   90    HG   SER  13           HG1      SER  13   3.693  -0.049   0.587
   91    HA   PRO  14           HA       PRO  14   5.915  -1.708  -5.485
   92   1HB   PRO  14           HB2      PRO  14   6.393  -4.265  -4.367
   93   2HB   PRO  14           HB1      PRO  14   7.593  -3.023  -4.724
   94   1HG   PRO  14           HG2      PRO  14   6.544  -3.858  -2.106
   95   2HG   PRO  14           HG1      PRO  14   7.929  -2.821  -2.456
   96   1HD   PRO  14           HD1      PRO  14   5.390  -1.986  -1.463
   97   2HD   PRO  14           HD2      PRO  14   6.714  -0.948  -2.019
   98    H    ALA  15           HN       ALA  15   3.824  -3.370  -3.154
   99    HA   ALA  15           HA       ALA  15   2.588  -4.993  -5.278
  100   1HB   ALA  15           HB1      ALA  15   2.893  -5.223  -2.476
  101   2HB   ALA  15           HB3      ALA  15   1.163  -5.132  -2.790
  102   3HB   ALA  15           HB2      ALA  15   2.136  -6.374  -3.572
  103    H    ILE  16           HN       ILE  16   1.779  -2.167  -3.347
  104    HA   ILE  16           HA       ILE  16  -0.974  -1.993  -3.628
  105    HB   ILE  16           HB       ILE  16   0.784  -0.270  -2.681
  106   1HG1  ILE  16          HG12      ILE  16  -1.824   0.571  -3.992
  107   2HG1  ILE  16          HG11      ILE  16  -1.671  -0.136  -2.388
  108   1HG2  ILE  16          HG21      ILE  16   1.552   0.129  -5.137
  109   2HG2  ILE  16          HG23      ILE  16   0.097   1.108  -5.271
  110   3HG2  ILE  16          HG22      ILE  16   1.339   1.529  -4.097
  111   1HD1  ILE  16           HD2      ILE  16   0.094   1.907  -2.147
  112   2HD1  ILE  16           HD1      ILE  16  -1.018   2.616  -3.313
  113   3HD1  ILE  16           HD3      ILE  16  -1.613   2.071  -1.747
  114    NH1  ARG  17           NH1      ARG  17   4.957   1.281  -7.422
  115    NH2  ARG  17           NH2      ARG  17   5.266   3.230  -8.574
  116    H    ARG  17           HN       ARG  17   1.346  -2.013  -6.143
  117    HA   ARG  17           HA       ARG  17  -0.487  -0.816  -8.127
  118   1HB   ARG  17           HB2      ARG  17   2.274  -2.043  -8.365
  119   2HB   ARG  17           HB1      ARG  17   1.374  -1.409  -9.737
  120   1HG   ARG  17           HG2      ARG  17   1.180   0.784  -8.415
  121   2HG   ARG  17           HG1      ARG  17   2.381   0.111  -7.320
  122   1HD   ARG  17           HD2      ARG  17   3.970  -0.153  -9.168
  123   2HD   ARG  17           HD1      ARG  17   2.759   0.411 -10.319
  124    HE   ARG  17           HE       ARG  17   2.966   2.643  -9.365
  125   1HH1  ARG  17          HH11      ARG  17   4.414   0.456  -7.265
  126   2HH1  ARG  17          HH12      ARG  17   5.781   1.448  -6.881
  127   1HH2  ARG  17          HH21      ARG  17   4.955   3.866  -9.280
  128   2HH2  ARG  17          HH22      ARG  17   6.095   3.429  -8.052
  129    NH1  ARG  18           NH2      ARG  18   5.750  -5.004 -10.688
  130    NH2  ARG  18           NH1      ARG  18   6.343  -7.064  -9.894
  131    H    ARG  18           HN       ARG  18   1.000  -3.975  -7.484
  132    HA   ARG  18           HA       ARG  18  -0.812  -5.217  -9.477
  133   1HB   ARG  18           HB2      ARG  18   1.155  -6.753  -7.812
  134   2HB   ARG  18           HB1      ARG  18   0.615  -7.062  -9.458
  135   1HG   ARG  18           HG2      ARG  18   1.760  -4.889 -10.123
  136   2HG   ARG  18           HG1      ARG  18   2.472  -4.860  -8.513
  137   1HD   ARG  18           HD2      ARG  18   2.926  -7.472  -9.420
  138   2HD   ARG  18           HD1      ARG  18   3.233  -6.460 -10.831
  139    HE   ARG  18           HE       ARG  18   4.528  -5.794  -8.227
  140   1HH1  ARG  18          HH21      ARG  18   5.107  -4.238 -10.686
  141   2HH1  ARG  18          HH22      ARG  18   6.559  -4.976 -11.274
  142   1HH2  ARG  18          HH11      ARG  18   6.143  -7.840  -9.297
  143   2HH2  ARG  18          HH12      ARG  18   7.162  -7.069 -10.467
  144    H    LEU  19           HN       LEU  19  -1.608  -4.135  -6.754
  145    HA   LEU  19           HA       LEU  19  -2.537  -6.624  -5.430
  146   1HB   LEU  19           HB2      LEU  19  -1.535  -4.642  -4.156
  147   2HB   LEU  19           HB1      LEU  19  -3.031  -3.790  -4.513
  148    HG   LEU  19           HG       LEU  19  -4.050  -6.123  -3.592
  149   1HD1  LEU  19          HD11      LEU  19  -1.642  -6.886  -3.163
  150   2HD1  LEU  19          HD13      LEU  19  -1.582  -5.668  -1.893
  151   3HD1  LEU  19          HD12      LEU  19  -2.733  -6.997  -1.786
  152   1HD2  LEU  19          HD22      LEU  19  -3.107  -3.740  -1.965
  153   2HD2  LEU  19          HD21      LEU  19  -4.671  -3.917  -2.756
  154   3HD2  LEU  19          HD23      LEU  19  -4.256  -4.939  -1.382
  155    H    LEU  20           HN       LEU  20  -3.895  -3.568  -6.635
  156    HA   LEU  20           HA       LEU  20  -6.635  -4.334  -6.337
  157   1HB   LEU  20           HB2      LEU  20  -5.448  -2.410  -8.354
  158   2HB   LEU  20           HB1      LEU  20  -7.123  -2.452  -7.819
  159    HG   LEU  20           HG       LEU  20  -4.727  -1.935  -6.019
  160   1HD1  LEU  20          HD12      LEU  20  -5.211  -0.073  -7.595
  161   2HD1  LEU  20          HD11      LEU  20  -6.882  -0.055  -7.045
  162   3HD1  LEU  20          HD13      LEU  20  -5.585   0.375  -5.935
  163   1HD2  LEU  20          HD21      LEU  20  -7.678  -2.264  -5.560
  164   2HD2  LEU  20          HD23      LEU  20  -6.330  -2.818  -4.572
  165   3HD2  LEU  20          HD22      LEU  20  -6.791  -1.119  -4.559
  166    H    ALA  21           HN       ALA  21  -4.243  -5.276  -8.581
  167    HA   ALA  21           HA       ALA  21  -6.267  -6.192 -10.558
  168   1HB   ALA  21           HB2      ALA  21  -4.171  -4.986 -11.297
  169   2HB   ALA  21           HB1      ALA  21  -3.255  -6.386 -10.749
  170   3HB   ALA  21           HB3      ALA  21  -4.419  -6.554 -12.059
  171    H    GLU  22           HN       GLU  22  -4.857  -7.326  -7.809
  172    HA   GLU  22           HA       GLU  22  -4.616 -10.127  -8.781
  173   1HB   GLU  22           HB2      GLU  22  -2.851  -9.032  -7.291
  174   2HB   GLU  22           HB1      GLU  22  -4.036  -9.123  -5.993
  175   1HG   GLU  22           HG2      GLU  22  -4.252 -11.619  -6.569
  176   2HG   GLU  22           HG1      GLU  22  -2.800 -11.412  -7.545
  177    H    HIS  23           HN       HIS  23  -6.319  -8.200  -6.339
  178    HA   HIS  23           HA       HIS  23  -8.130 -10.509  -5.825
  179   1HB   HIS  23           HB2      HIS  23  -8.008  -7.866  -4.359
  180   2HB   HIS  23           HB1      HIS  23  -8.816  -9.340  -3.830
  181    HD1  HIS  23           HD1      HIS  23  -6.777 -11.365  -4.041
  182    HD2  HIS  23           HD2      HIS  23  -5.718  -7.616  -2.915
  183    HE1  HIS  23           HE1      HIS  23  -4.660 -11.635  -2.885
  184    H    ASN  24           HN       ASN  24  -7.964  -7.687  -7.643
  185    HA   ASN  24           HA       ASN  24  -9.577  -6.492  -8.864
  186   1HB   ASN  24           HB2      ASN  24 -11.344  -8.899  -8.395
  187   2HB   ASN  24           HB1      ASN  24 -11.388  -7.780  -9.755
  188   1HD2  ASN  24          HD22      ASN  24  -8.024  -9.126 -10.798
  189   2HD2  ASN  24          HD21      ASN  24  -8.547  -7.615 -10.228
  190    H    LEU  25           HN       LEU  25  -9.842  -4.924  -7.196
  191    HA   LEU  25           HA       LEU  25 -12.540  -5.045  -5.947
  192   1HB   LEU  25           HB2      LEU  25  -9.917  -4.807  -4.542
  193   2HB   LEU  25           HB1      LEU  25 -11.254  -3.836  -3.937
  194    HG   LEU  25           HG       LEU  25 -11.754  -6.736  -4.537
  195   1HD1  LEU  25          HD11      LEU  25 -10.038  -5.623  -2.347
  196   2HD1  LEU  25          HD13      LEU  25 -11.137  -6.938  -1.947
  197   3HD1  LEU  25          HD12      LEU  25  -9.911  -7.163  -3.189
  198   1HD2  LEU  25          HD22      LEU  25 -13.596  -5.208  -3.865
  199   2HD2  LEU  25          HD21      LEU  25 -13.322  -6.448  -2.647
  200   3HD2  LEU  25          HD23      LEU  25 -12.720  -4.814  -2.389
  201    H    ASP  26           HN       ASP  26 -13.617  -3.271  -6.510
  202    HA   ASP  26           HA       ASP  26 -12.222  -0.975  -7.657
  203   1HB   ASP  26           HB2      ASP  26 -14.935  -1.989  -7.572
  204   2HB   ASP  26           HB1      ASP  26 -14.902  -0.266  -7.205
  205    H    ALA  27           HN       ALA  27 -11.833   0.973  -6.719
  206    HA   ALA  27           HA       ALA  27 -11.553   1.241  -3.943
  207   1HB   ALA  27           HB1      ALA  27 -10.557   2.772  -5.648
  208   2HB   ALA  27           HB3      ALA  27 -12.147   3.491  -5.883
  209   3HB   ALA  27           HB2      ALA  27 -11.336   3.639  -4.327
  210    H    SER  28           HN       SER  28 -14.409   1.323  -5.809
  211    HA   SER  28           HA       SER  28 -16.082   3.036  -4.305
  212   1HB   SER  28           HB2      SER  28 -16.819   2.010  -6.422
  213   2HB   SER  28           HB1      SER  28 -16.835   0.414  -5.647
  214    HG   SER  28           HG1      SER  28 -18.587   2.514  -5.401
  215    H    ALA  29           HN       ALA  29 -15.339  -0.396  -3.816
  216    HA   ALA  29           HA       ALA  29 -17.024  -0.699  -1.499
  217   1HB   ALA  29           HB1      ALA  29 -14.780  -2.263  -2.722
  218   2HB   ALA  29           HB3      ALA  29 -15.314  -2.671  -1.094
  219   3HB   ALA  29           HB2      ALA  29 -16.448  -2.747  -2.437
  220    H    ILE  30           HN       ILE  30 -13.830   0.548  -2.000
  221    HA   ILE  30           HA       ILE  30 -13.276   0.546   0.914
  222    HB   ILE  30           HB       ILE  30 -11.401   1.778  -1.074
  223   1HG1  ILE  30          HG12      ILE  30 -12.157  -0.403  -2.112
  224   2HG1  ILE  30          HG11      ILE  30 -10.453  -0.359  -1.715
  225   1HG2  ILE  30          HG22      ILE  30 -11.073   0.125   1.447
  226   2HG2  ILE  30          HG21      ILE  30  -9.732   0.685   0.458
  227   3HG2  ILE  30          HG23      ILE  30 -10.777   1.849   1.263
  228   1HD1  ILE  30           HD3      ILE  30 -12.433  -1.477   0.260
  229   2HD1  ILE  30           HD2      ILE  30 -11.805  -2.472  -1.042
  230   3HD1  ILE  30           HD1      ILE  30 -10.706  -1.776   0.143
  231    H    LYS  31           HN       LYS  31 -13.172   2.386   2.134
  232    HA   LYS  31           HA       LYS  31 -14.342   4.813   0.880
  233   1HB   LYS  31           HB2      LYS  31 -13.898   4.068   3.783
  234   2HB   LYS  31           HB1      LYS  31 -14.647   5.566   3.240
  235   1HG   LYS  31           HG2      LYS  31 -16.551   4.469   2.419
  236   2HG   LYS  31           HG1      LYS  31 -15.712   2.932   2.245
  237   1HD   LYS  31           HD2      LYS  31 -17.300   2.971   4.191
  238   2HD   LYS  31           HD1      LYS  31 -15.637   2.644   4.665
  239   1HE   LYS  31           HE2      LYS  31 -15.351   4.748   5.622
  240   2HE   LYS  31           HE1      LYS  31 -16.571   5.493   4.597
  241   1HZ   LYS  31           HZ3      LYS  31 -18.039   3.733   5.962
  242   2HZ   LYS  31           HZ2      LYS  31 -16.864   4.125   7.124
  243   3HZ   LYS  31           HZ1      LYS  31 -17.814   5.350   6.430
  244    H    GLY  32           HN       GLY  32 -13.003   6.368   0.227
  245   1HA   GLY  32           HA2      GLY  32 -10.200   6.396   0.971
  246   2HA   GLY  32           HA1      GLY  32 -11.013   7.611  -0.011
  247    H    THR  33           HN       THR  33  -9.174   7.596   2.484
  248    HA   THR  33           HA       THR  33 -10.613   9.814   3.816
  249    HB   THR  33           HB       THR  33  -9.797   8.661   6.085
  250    HG1  THR  33           HG1      THR  33 -10.180   6.312   5.555
  251   1HG2  THR  33          HG23      THR  33 -12.146   7.529   4.512
  252   2HG2  THR  33          HG22      THR  33 -11.952   7.480   6.262
  253   3HG2  THR  33          HG21      THR  33 -12.218   9.019   5.449
  254    H    GLY  34           HN       GLY  34  -8.107   9.216   2.162
  255   1HA   GLY  34           HA2      GLY  34  -5.769   9.558   3.703
  256   2HA   GLY  34           HA1      GLY  34  -5.949  10.136   2.049
  257    H    VAL  35           HN       VAL  35  -4.419  11.693   3.501
  258    HA   VAL  35           HA       VAL  35  -5.515  13.621   5.221
  259    HB   VAL  35           HB       VAL  35  -3.452  14.158   3.070
  260   1HG1  VAL  35          HG11      VAL  35  -4.641  15.794   5.073
  261   2HG1  VAL  35          HG13      VAL  35  -3.008  15.427   5.619
  262   3HG1  VAL  35          HG12      VAL  35  -3.263  16.186   4.050
  263   1HG2  VAL  35          HG22      VAL  35  -2.905  12.139   4.408
  264   2HG2  VAL  35          HG21      VAL  35  -1.808  13.465   4.779
  265   3HG2  VAL  35          HG23      VAL  35  -3.118  13.069   5.887
  266    H    GLY  36           HN       GLY  36  -5.655  13.422   1.720
  267   1HA   GLY  36           HA2      GLY  36  -7.351  15.887   1.666
  268   2HA   GLY  36           HA1      GLY  36  -6.463  15.259   0.281
  269    H    GLY  37           HN       GLY  37  -7.789  12.739   2.021
  270   1HA   GLY  37           HA2      GLY  37  -9.889  11.603   1.843
  271   2HA   GLY  37           HA1      GLY  37 -10.420  12.819   0.685
  272    NH1  ARG  38           NH2      ARG  38  -2.846  10.289  -1.350
  273    NH2  ARG  38           NH1      ARG  38  -2.118  12.434  -1.640
  274    H    ARG  38           HN       ARG  38  -7.298  11.506   0.191
  275    HA   ARG  38           HA       ARG  38  -8.250  10.189  -2.275
  276   1HB   ARG  38           HB2      ARG  38  -5.378  10.078  -1.540
  277   2HB   ARG  38           HB1      ARG  38  -6.129  10.486  -3.079
  278   1HG   ARG  38           HG2      ARG  38  -6.938  12.643  -1.898
  279   2HG   ARG  38           HG1      ARG  38  -5.758  12.251  -0.654
  280   1HD   ARG  38           HD2      ARG  38  -5.304  13.032  -3.516
  281   2HD   ARG  38           HD1      ARG  38  -4.438  13.546  -2.069
  282    HE   ARG  38           HE       ARG  38  -3.900  11.114  -3.628
  283   1HH1  ARG  38          HH21      ARG  38  -3.489   9.561  -1.591
  284   2HH1  ARG  38          HH22      ARG  38  -2.135  10.119  -0.667
  285   1HH2  ARG  38          HH11      ARG  38  -2.217  13.317  -2.100
  286   2HH2  ARG  38          HH12      ARG  38  -1.395  12.301  -0.963
  287    H    LEU  39           HN       LEU  39  -7.926   8.006  -2.746
  288    HA   LEU  39           HA       LEU  39  -8.062   6.217  -0.474
  289   1HB   LEU  39           HB2      LEU  39  -9.286   5.614  -2.454
  290   2HB   LEU  39           HB1      LEU  39  -7.848   5.749  -3.457
  291    HG   LEU  39           HG       LEU  39  -6.855   3.792  -2.437
  292   1HD1  LEU  39          HD12      LEU  39  -9.112   4.119  -0.451
  293   2HD1  LEU  39          HD11      LEU  39  -8.288   2.575  -0.645
  294   3HD1  LEU  39          HD13      LEU  39  -7.385   3.995  -0.130
  295   1HD2  LEU  39          HD21      LEU  39  -8.931   3.617  -4.066
  296   2HD2  LEU  39          HD23      LEU  39  -8.294   2.169  -3.296
  297   3HD2  LEU  39          HD22      LEU  39  -9.731   2.952  -2.646
  298    H    THR  40           HN       THR  40  -6.255   5.988   0.727
  299    HA   THR  40           HA       THR  40  -3.630   5.723  -0.639
  300    HB   THR  40           HB       THR  40  -2.685   5.975   1.665
  301    HG1  THR  40           HG1      THR  40  -4.082   5.878   3.330
  302   1HG2  THR  40          HG23      THR  40  -4.511   7.922   0.428
  303   2HG2  THR  40          HG22      THR  40  -4.436   8.092   2.179
  304   3HG2  THR  40          HG21      THR  40  -2.965   8.210   1.219
  305    NH1  ARG  41           NH1      ARG  41  -1.327  -2.417  -0.220
  306    NH2  ARG  41           NH2      ARG  41   0.303  -3.394   1.050
  307    H    ARG  41           HN       ARG  41  -2.376   4.196   1.392
  308    HA   ARG  41           HA       ARG  41  -3.407   1.518   0.645
  309   1HB   ARG  41           HB2      ARG  41  -0.923   2.326   0.486
  310   2HB   ARG  41           HB1      ARG  41  -0.890   1.992   2.214
  311   1HG   ARG  41           HG2      ARG  41  -1.847  -0.309   1.661
  312   2HG   ARG  41           HG1      ARG  41  -1.522   0.056  -0.030
  313   1HD   ARG  41           HD2      ARG  41   0.885   0.689   0.933
  314   2HD   ARG  41           HD1      ARG  41   0.409  -0.429   2.211
  315    HE   ARG  41           HE       ARG  41   1.287  -1.234  -0.354
  316   1HH1  ARG  41          HH11      ARG  41  -1.654  -1.621  -0.729
  317   2HH1  ARG  41          HH12      ARG  41  -1.890  -3.242  -0.165
  318   1HH2  ARG  41          HH21      ARG  41   1.197  -3.329   1.492
  319   2HH2  ARG  41          HH22      ARG  41  -0.233  -4.235   1.125
  320    H    GLU  42           HN       GLU  42  -3.392   3.676   3.276
  321    HA   GLU  42           HA       GLU  42  -3.570   1.658   5.377
  322   1HB   GLU  42           HB2      GLU  42  -3.670   4.610   5.196
  323   2HB   GLU  42           HB1      GLU  42  -4.603   3.904   6.512
  324   1HG   GLU  42           HG2      GLU  42  -1.753   3.045   5.976
  325   2HG   GLU  42           HG1      GLU  42  -2.115   4.443   6.987
  326    H    ASP  43           HN       ASP  43  -5.519   1.934   2.971
  327    HA   ASP  43           HA       ASP  43  -8.000   1.598   4.611
  328   1HB   ASP  43           HB2      ASP  43  -8.024   2.768   1.833
  329   2HB   ASP  43           HB1      ASP  43  -9.288   2.832   3.058
  330    H    VAL  44           HN       VAL  44  -6.360   0.887   1.560
  331    HA   VAL  44           HA       VAL  44  -8.183  -1.077   0.601
  332    HB   VAL  44           HB       VAL  44  -5.180  -0.909   0.214
  333   1HG1  VAL  44          HG12      VAL  44  -7.244  -2.771  -0.737
  334   2HG1  VAL  44          HG11      VAL  44  -6.338  -2.023  -2.048
  335   3HG1  VAL  44          HG13      VAL  44  -5.491  -2.923  -0.794
  336   1HG2  VAL  44          HG22      VAL  44  -6.415   1.129  -0.479
  337   2HG2  VAL  44          HG21      VAL  44  -5.796   0.259  -1.878
  338   3HG2  VAL  44          HG23      VAL  44  -7.500   0.137  -1.449
  339    H    GLU  45           HN       GLU  45  -5.303  -1.398   2.650
  340    HA   GLU  45           HA       GLU  45  -5.601  -4.276   2.937
  341   1HB   GLU  45           HB2      GLU  45  -3.841  -2.161   4.066
  342   2HB   GLU  45           HB1      GLU  45  -4.027  -3.626   5.023
  343   1HG   GLU  45           HG2      GLU  45  -3.341  -5.004   3.118
  344   2HG   GLU  45           HG1      GLU  45  -3.266  -3.581   2.082
  345    H    LYS  46           HN       LYS  46  -6.327  -1.476   4.985
  346    HA   LYS  46           HA       LYS  46  -7.357  -2.999   7.193
  347   1HB   LYS  46           HB2      LYS  46  -6.679  -0.457   6.989
  348   2HB   LYS  46           HB1      LYS  46  -8.375  -0.253   6.566
  349   1HG   LYS  46           HG2      LYS  46  -9.034  -1.410   8.654
  350   2HG   LYS  46           HG1      LYS  46  -7.338  -1.613   9.078
  351   1HD   LYS  46           HD2      LYS  46  -7.035   0.656   9.517
  352   2HD   LYS  46           HD1      LYS  46  -8.337   1.146   8.441
  353   1HE   LYS  46           HE2      LYS  46  -8.992   1.441  10.808
  354   2HE   LYS  46           HE1      LYS  46  -9.999   0.230  10.025
  355   1HZ   LYS  46           HZ3      LYS  46  -8.289  -1.418  10.927
  356   2HZ   LYS  46           HZ2      LYS  46  -7.817  -0.159  11.965
  357   3HZ   LYS  46           HZ1      LYS  46  -9.409  -0.748  12.013
  358    H    HIS  47           HN       HIS  47  -8.473  -2.885   4.141
  359    HA   HIS  47           HA       HIS  47 -11.356  -2.938   4.905
  360   1HB   HIS  47           HB2      HIS  47 -11.268  -1.540   3.079
  361   2HB   HIS  47           HB1      HIS  47  -9.858  -2.347   2.398
  362    HD1  HIS  47           HD1      HIS  47 -13.491  -2.564   2.436
  363    HD2  HIS  47           HD2      HIS  47 -10.402  -4.664   0.852
  364    HE1  HIS  47           HE1      HIS  47 -14.512  -4.047   0.810
  365    H    LEU  48           HN       LEU  48  -8.734  -4.920   3.861
  366    HA   LEU  48           HA       LEU  48 -10.300  -7.088   2.772
  367   1HB   LEU  48           HB2      LEU  48  -7.476  -6.723   3.679
  368   2HB   LEU  48           HB1      LEU  48  -8.078  -8.368   3.510
  369    HG   LEU  48           HG       LEU  48  -8.626  -6.426   1.289
  370   1HD1  LEU  48          HD13      LEU  48  -5.955  -7.658   1.978
  371   2HD1  LEU  48          HD12      LEU  48  -6.381  -7.292   0.309
  372   3HD1  LEU  48          HD11      LEU  48  -6.304  -5.999   1.503
  373   1HD2  LEU  48          HD21      LEU  48  -9.518  -8.785   1.358
  374   2HD2  LEU  48          HD23      LEU  48  -8.508  -8.459  -0.046
  375   3HD2  LEU  48          HD22      LEU  48  -7.856  -9.364   1.317
  376    H    ALA  49           HN       ALA  49  -8.196  -7.804   5.450
  377    HA   ALA  49           HA       ALA  49 -10.158  -8.081   7.502
  378   1HB   ALA  49           HB3      ALA  49  -9.815 -10.406   5.643
  379   2HB   ALA  49           HB2      ALA  49 -10.104 -10.718   7.351
  380   3HB   ALA  49           HB1      ALA  49 -11.279  -9.802   6.413
  381    H    LYS  50           HN       LYS  50  -7.088  -8.498   6.201
  382    HA   LYS  50           HA       LYS  50  -5.962  -8.918   8.891
  383   1HB   LYS  50           HB2      LYS  50  -6.370 -11.206   7.822
  384   2HB   LYS  50           HB1      LYS  50  -5.125 -10.769   6.657
  385   1HG   LYS  50           HG2      LYS  50  -3.737 -10.161   8.826
  386   2HG   LYS  50           HG1      LYS  50  -4.866 -11.260   9.610
  387   1HD   LYS  50           HD2      LYS  50  -3.265 -12.795   8.946
  388   2HD   LYS  50           HD1      LYS  50  -4.260 -12.787   7.494
  389   1HE   LYS  50           HE2      LYS  50  -1.894 -12.514   6.888
  390   2HE   LYS  50           HE1      LYS  50  -2.783 -11.043   6.512
  391   1HZ   LYS  50           HZ3      LYS  50  -1.345 -11.410   9.069
  392   2HZ   LYS  50           HZ2      LYS  50  -0.596 -10.765   7.689
  393   3HZ   LYS  50           HZ1      LYS  50  -1.924  -9.966   8.386
  394    H    ALA  51           HN       ALA  51  -5.033  -6.877   8.674
  395    HA   ALA  51           HA       ALA  51  -3.702  -5.763   6.499
  396   1HB   ALA  51           HB3      ALA  51  -4.035  -4.991   9.056
  397   2HB   ALA  51           HB2      ALA  51  -2.340  -5.460   9.123
  398   3HB   ALA  51           HB1      ALA  51  -2.867  -4.226   7.984
   
 Raw file had 398 H/Q atoms
  Start of MODEL   39
    1    OH   TYR   1           OH       TYR   1  29.839   9.813  10.839
    2   1H    TYR   1           HT3      TYR   1  26.161   7.372   8.058
    3   2H    TYR   1           HT2      TYR   1  26.561   6.403   9.393
    4   3H    TYR   1           HT1      TYR   1  25.883   5.697   8.005
    5    HA   TYR   1           HA       TYR   1  24.152   5.813   9.572
    6   1HB   TYR   1           HB2      TYR   1  23.877   8.604  10.051
    7   2HB   TYR   1           HB1      TYR   1  24.238   7.339  11.224
    8    HD1  TYR   1           HD1      TYR   1  25.972   9.303   8.540
    9    HD2  TYR   1           HD2      TYR   1  26.274   7.482  12.373
   10    HE1  TYR   1           HE1      TYR   1  28.252  10.174   8.776
   11    HE2  TYR   1           HE2      TYR   1  28.554   8.353  12.608
   12    HH   TYR   1           HH       TYR   1  30.386   9.399  10.167
   13    H    ALA   2           HN       ALA   2  25.026   7.038   6.716
   14    HA   ALA   2           HA       ALA   2  22.209   7.513   5.939
   15   1HB   ALA   2           HB3      ALA   2  23.673   9.697   6.505
   16   2HB   ALA   2           HB2      ALA   2  24.163   9.460   4.830
   17   3HB   ALA   2           HB1      ALA   2  22.462   9.680   5.226
   18    H    SER   3           HN       SER   3  21.824   7.211   3.701
   19    HA   SER   3           HA       SER   3  24.086   6.418   1.984
   20   1HB   SER   3           HB2      SER   3  22.769   4.441   3.455
   21   2HB   SER   3           HB1      SER   3  22.042   4.347   1.839
   22    HG   SER   3           HG1      SER   3  24.791   4.326   2.537
   23    H    LEU   4           HN       LEU   4  22.623   5.160  -0.010
   24    HA   LEU   4           HA       LEU   4  21.670   7.212  -1.604
   25   1HB   LEU   4           HB2      LEU   4  20.091   4.702  -1.804
   26   2HB   LEU   4           HB1      LEU   4  20.943   5.593  -3.059
   27    HG   LEU   4           HG       LEU   4  22.189   3.770  -0.971
   28   1HD1  LEU   4          HD13      LEU   4  21.065   2.721  -2.969
   29   2HD1  LEU   4          HD12      LEU   4  22.172   3.619  -4.001
   30   3HD1  LEU   4          HD11      LEU   4  22.795   2.405  -2.886
   31   1HD2  LEU   4          HD22      LEU   4  23.311   5.930  -2.661
   32   2HD2  LEU   4          HD21      LEU   4  23.975   5.191  -1.208
   33   3HD2  LEU   4          HD23      LEU   4  24.169   4.398  -2.767
   34    H    GLU   5           HN       GLU   5  19.788   5.300   0.706
   35    HA   GLU   5           HA       GLU   5  17.429   7.029   0.230
   36   1HB   GLU   5           HB2      GLU   5  17.616   4.774   2.225
   37   2HB   GLU   5           HB1      GLU   5  16.176   5.425   1.448
   38   1HG   GLU   5           HG2      GLU   5  17.699   4.691  -0.727
   39   2HG   GLU   5           HG1      GLU   5  18.116   3.440   0.441
   40    H    GLU   6           HN       GLU   6  18.497   8.939   1.116
   41    HA   GLU   6           HA       GLU   6  19.520   9.176   3.736
   42   1HB   GLU   6           HB2      GLU   6  17.957  11.194   2.107
   43   2HB   GLU   6           HB1      GLU   6  18.874  11.581   3.559
   44   1HG   GLU   6           HG2      GLU   6  20.776  11.697   2.345
   45   2HG   GLU   6           HG1      GLU   6  20.547  10.036   1.804
   46    H    GLN   7           HN       GLN   7  16.221  10.035   2.695
   47    HA   GLN   7           HA       GLN   7  15.292  10.047   5.472
   48   1HB   GLN   7           HB2      GLN   7  14.113  10.653   2.802
   49   2HB   GLN   7           HB1      GLN   7  13.006  10.227   4.101
   50   1HG   GLN   7           HG2      GLN   7  13.920  11.997   5.520
   51   2HG   GLN   7           HG1      GLN   7  15.147  12.372   4.312
   52   1HE2  GLN   7          HE22      GLN   7  11.633  13.062   2.499
   53   2HE2  GLN   7          HE21      GLN   7  12.228  11.501   2.800
   54    H    ASN   8           HN       ASN   8  13.005   8.866   5.708
   55    HA   ASN   8           HA       ASN   8  13.611   6.038   5.670
   56   1HB   ASN   8           HB2      ASN   8  10.788   6.807   6.033
   57   2HB   ASN   8           HB1      ASN   8  11.839   5.861   7.084
   58   1HD2  ASN   8          HD22      ASN   8  11.255   9.767   7.861
   59   2HD2  ASN   8          HD21      ASN   8  10.383   8.930   6.670
   60    H    ASN   9           HN       ASN   9  11.056   4.985   5.011
   61    HA   ASN   9           HA       ASN   9  11.329   4.281   2.333
   62   1HB   ASN   9           HB2      ASN   9   8.593   4.693   3.527
   63   2HB   ASN   9           HB1      ASN   9   9.135   3.421   2.435
   64   1HD2  ASN   9          HD22      ASN   9   8.997   2.032   5.912
   65   2HD2  ASN   9          HD21      ASN   9   7.861   2.748   4.872
   66    H    ASP  10           HN       ASP  10  10.659   5.092   0.375
   67    HA   ASP  10           HA       ASP  10  10.526   7.887   0.008
   68   1HB   ASP  10           HB2      ASP  10   9.406   5.725  -1.786
   69   2HB   ASP  10           HB1      ASP  10   9.749   7.382  -2.275
   70    H    ALA  11           HN       ALA  11   7.814   5.924  -0.982
   71    HA   ALA  11           HA       ALA  11   5.919   7.160   0.827
   72   1HB   ALA  11           HB2      ALA  11   6.273   8.254  -1.944
   73   2HB   ALA  11           HB1      ALA  11   4.667   8.236  -1.222
   74   3HB   ALA  11           HB3      ALA  11   5.974   9.118  -0.439
   75    H    LEU  12           HN       LEU  12   5.150   6.570  -2.526
   76    HA   LEU  12           HA       LEU  12   3.217   4.530  -1.821
   77   1HB   LEU  12           HB2      LEU  12   4.286   4.999  -4.602
   78   2HB   LEU  12           HB1      LEU  12   2.674   4.476  -4.124
   79    HG   LEU  12           HG       LEU  12   3.892   7.219  -3.650
   80   1HD1  LEU  12          HD11      LEU  12   3.005   6.570  -5.973
   81   2HD1  LEU  12          HD13      LEU  12   1.415   6.467  -5.222
   82   3HD1  LEU  12          HD12      LEU  12   2.283   7.999  -5.239
   83   1HD2  LEU  12          HD23      LEU  12   1.409   5.861  -2.622
   84   2HD2  LEU  12          HD22      LEU  12   2.534   6.909  -1.762
   85   3HD2  LEU  12          HD21      LEU  12   1.392   7.598  -2.911
   86    H    SER  13           HN       SER  13   3.297   2.409  -3.211
   87    HA   SER  13           HA       SER  13   6.036   1.257  -2.996
   88   1HB   SER  13           HB2      SER  13   4.027   0.593  -1.312
   89   2HB   SER  13           HB1      SER  13   3.758  -0.590  -2.607
   90    HG   SER  13           HG1      SER  13   6.327   0.000  -1.576
   91    HA   PRO  14           HA       PRO  14   5.262   0.282  -7.324
   92   1HB   PRO  14           HB2      PRO  14   7.115  -1.897  -7.367
   93   2HB   PRO  14           HB1      PRO  14   7.354  -0.265  -7.992
   94   1HG   PRO  14           HG2      PRO  14   8.497  -1.454  -5.589
   95   2HG   PRO  14           HG1      PRO  14   8.827   0.137  -6.277
   96   1HD   PRO  14           HD1      PRO  14   7.319  -0.446  -3.910
   97   2HD   PRO  14           HD2      PRO  14   7.551   1.137  -4.679
   98    H    ALA  15           HN       ALA  15   5.209  -2.032  -4.733
   99    HA   ALA  15           HA       ALA  15   3.804  -4.055  -6.366
  100   1HB   ALA  15           HB1      ALA  15   4.583  -4.023  -3.438
  101   2HB   ALA  15           HB3      ALA  15   3.834  -5.388  -4.262
  102   3HB   ALA  15           HB2      ALA  15   5.441  -4.847  -4.736
  103    H    ILE  16           HN       ILE  16   2.679  -1.333  -5.603
  104    HA   ILE  16           HA       ILE  16   0.349  -2.156  -3.963
  105    HB   ILE  16           HB       ILE  16   1.620   0.055  -3.642
  106   1HG1  ILE  16          HG12      ILE  16  -1.381   0.040  -4.112
  107   2HG1  ILE  16          HG11      ILE  16  -0.561  -0.366  -2.608
  108   1HG2  ILE  16          HG22      ILE  16   1.572   0.460  -6.197
  109   2HG2  ILE  16          HG21      ILE  16  -0.098   0.964  -5.954
  110   3HG2  ILE  16          HG23      ILE  16   1.209   1.833  -5.157
  111   1HD1  ILE  16           HD1      ILE  16   0.510   2.033  -2.888
  112   2HD1  ILE  16           HD3      ILE  16  -0.891   2.320  -3.916
  113   3HD1  ILE  16           HD2      ILE  16  -1.115   1.873  -2.228
  114    NH1  ARG  17           NH2      ARG  17   2.842   2.165  -8.001
  115    NH2  ARG  17           NH1      ARG  17   2.580   3.573  -9.781
  116    H    ARG  17           HN       ARG  17   1.141  -1.007  -7.200
  117    HA   ARG  17           HA       ARG  17  -1.582  -0.851  -8.131
  118   1HB   ARG  17           HB2      ARG  17   1.121  -0.867  -9.393
  119   2HB   ARG  17           HB1      ARG  17  -0.264  -1.211 -10.423
  120   1HG   ARG  17           HG2      ARG  17  -1.302   0.883  -9.887
  121   2HG   ARG  17           HG1      ARG  17  -0.181   1.177  -8.563
  122   1HD   ARG  17           HD2      ARG  17   0.651   0.962 -11.476
  123   2HD   ARG  17           HD1      ARG  17   0.379   2.487 -10.636
  124    HE   ARG  17           HE       ARG  17   2.622   0.617 -10.132
  125   1HH1  ARG  17          HH21      ARG  17   2.764   1.244  -7.619
  126   2HH1  ARG  17          HH22      ARG  17   3.184   2.914  -7.434
  127   1HH2  ARG  17          HH11      ARG  17   2.306   3.707 -10.733
  128   2HH2  ARG  17          HH12      ARG  17   2.918   4.346  -9.244
  129    NH1  ARG  18           NH1      ARG  18   2.909  -8.588 -11.484
  130    NH2  ARG  18           NH2      ARG  18   3.231  -8.929  -9.248
  131    H    ARG  18           HN       ARG  18   0.806  -3.416  -8.006
  132    HA   ARG  18           HA       ARG  18  -0.887  -5.246  -9.569
  133   1HB   ARG  18           HB2      ARG  18   1.585  -5.962  -7.989
  134   2HB   ARG  18           HB1      ARG  18   0.906  -6.807  -9.376
  135   1HG   ARG  18           HG2      ARG  18   1.263  -4.280 -10.396
  136   2HG   ARG  18           HG1      ARG  18   2.632  -4.412  -9.297
  137   1HD   ARG  18           HD2      ARG  18   1.901  -6.384 -11.492
  138   2HD   ARG  18           HD1      ARG  18   3.274  -5.278 -11.502
  139    HE   ARG  18           HE       ARG  18   4.154  -6.581  -9.529
  140   1HH1  ARG  18          HH11      ARG  18   2.886  -7.957 -12.259
  141   2HH1  ARG  18          HH12      ARG  18   2.716  -9.559 -11.624
  142   1HH2  ARG  18          HH21      ARG  18   3.450  -8.554  -8.348
  143   2HH2  ARG  18          HH22      ARG  18   3.044  -9.906  -9.351
  144    H    LEU  19           HN       LEU  19  -1.426  -4.059  -6.716
  145    HA   LEU  19           HA       LEU  19  -1.874  -6.617  -5.268
  146   1HB   LEU  19           HB2      LEU  19  -0.848  -4.552  -4.159
  147   2HB   LEU  19           HB1      LEU  19  -2.450  -3.829  -4.256
  148    HG   LEU  19           HG       LEU  19  -3.109  -6.232  -3.195
  149   1HD1  LEU  19          HD11      LEU  19  -0.688  -6.902  -3.149
  150   2HD1  LEU  19          HD13      LEU  19  -0.377  -5.567  -2.044
  151   3HD1  LEU  19          HD12      LEU  19  -1.426  -6.893  -1.551
  152   1HD2  LEU  19          HD22      LEU  19  -2.082  -3.800  -1.693
  153   2HD2  LEU  19          HD21      LEU  19  -3.728  -4.044  -2.269
  154   3HD2  LEU  19          HD23      LEU  19  -3.083  -5.065  -0.987
  155    H    LEU  20           HN       LEU  20  -3.631  -3.825  -6.534
  156    HA   LEU  20           HA       LEU  20  -6.227  -4.863  -5.698
  157   1HB   LEU  20           HB2      LEU  20  -5.457  -2.642  -7.607
  158   2HB   LEU  20           HB1      LEU  20  -7.111  -2.998  -7.121
  159    HG   LEU  20           HG       LEU  20  -5.106  -2.687  -4.934
  160   1HD1  LEU  20          HD13      LEU  20  -6.153  -0.400  -6.635
  161   2HD1  LEU  20          HD12      LEU  20  -5.465  -0.182  -5.029
  162   3HD1  LEU  20          HD11      LEU  20  -4.467  -0.812  -6.337
  163   1HD2  LEU  20          HD21      LEU  20  -7.601  -3.181  -4.680
  164   2HD2  LEU  20          HD23      LEU  20  -7.013  -1.793  -3.768
  165   3HD2  LEU  20          HD22      LEU  20  -7.896  -1.549  -5.272
  166    H    ALA  21           HN       ALA  21  -4.316  -4.843  -8.651
  167    HA   ALA  21           HA       ALA  21  -6.405  -5.991 -10.305
  168   1HB   ALA  21           HB3      ALA  21  -4.431  -4.682 -11.170
  169   2HB   ALA  21           HB2      ALA  21  -3.415  -6.065 -10.776
  170   3HB   ALA  21           HB1      ALA  21  -4.683  -6.222 -11.986
  171    H    GLU  22           HN       GLU  22  -4.587  -7.244  -7.822
  172    HA   GLU  22           HA       GLU  22  -4.404  -9.969  -8.975
  173   1HB   GLU  22           HB2      GLU  22  -2.616  -8.807  -7.472
  174   2HB   GLU  22           HB1      GLU  22  -3.683  -9.250  -6.145
  175   1HG   GLU  22           HG2      GLU  22  -2.400 -11.178  -6.244
  176   2HG   GLU  22           HG1      GLU  22  -3.646 -11.614  -7.412
  177    H    HIS  23           HN       HIS  23  -5.967  -8.267  -6.288
  178    HA   HIS  23           HA       HIS  23  -7.677 -10.656  -5.801
  179   1HB   HIS  23           HB2      HIS  23  -7.679  -8.124  -4.165
  180   2HB   HIS  23           HB1      HIS  23  -8.147  -9.749  -3.669
  181    HD1  HIS  23           HD1      HIS  23  -5.836 -11.360  -4.245
  182    HD2  HIS  23           HD2      HIS  23  -5.295  -7.541  -2.987
  183    HE1  HIS  23           HE1      HIS  23  -3.578 -11.310  -3.359
  184    H    ASN  24           HN       ASN  24  -7.707  -7.690  -7.405
  185    HA   ASN  24           HA       ASN  24  -9.436  -6.403  -8.349
  186   1HB   ASN  24           HB2      ASN  24 -10.034  -9.210  -8.706
  187   2HB   ASN  24           HB1      ASN  24 -11.526  -8.282  -8.569
  188   1HD2  ASN  24          HD22      ASN  24  -9.839  -8.237 -12.080
  189   2HD2  ASN  24          HD21      ASN  24  -9.850  -9.503 -10.951
  190    H    LEU  25           HN       LEU  25  -9.933  -5.030  -6.658
  191    HA   LEU  25           HA       LEU  25 -12.303  -5.817  -5.000
  192   1HB   LEU  25           HB2      LEU  25  -9.982  -4.034  -4.218
  193   2HB   LEU  25           HB1      LEU  25 -11.396  -4.352  -3.221
  194    HG   LEU  25           HG       LEU  25  -9.869  -6.700  -4.290
  195   1HD1  LEU  25          HD13      LEU  25  -9.010  -4.983  -1.936
  196   2HD1  LEU  25          HD12      LEU  25  -8.360  -6.579  -2.303
  197   3HD1  LEU  25          HD11      LEU  25  -8.096  -5.242  -3.418
  198   1HD2  LEU  25          HD21      LEU  25 -12.065  -6.583  -2.801
  199   2HD2  LEU  25          HD23      LEU  25 -10.835  -7.802  -2.476
  200   3HD2  LEU  25          HD22      LEU  25 -10.907  -6.339  -1.496
  201    H    ASP  26           HN       ASP  26 -13.964  -4.368  -4.895
  202    HA   ASP  26           HA       ASP  26 -14.025  -2.256  -6.890
  203   1HB   ASP  26           HB2      ASP  26 -16.098  -3.343  -6.510
  204   2HB   ASP  26           HB1      ASP  26 -15.954  -3.179  -4.762
  205    H    ALA  27           HN       ALA  27 -12.271  -0.923  -6.168
  206    HA   ALA  27           HA       ALA  27 -11.915   0.240  -3.657
  207   1HB   ALA  27           HB3      ALA  27 -10.617   0.552  -5.927
  208   2HB   ALA  27           HB2      ALA  27 -11.651   1.967  -6.093
  209   3HB   ALA  27           HB1      ALA  27 -10.572   1.824  -4.709
  210    H    SER  28           HN       SER  28 -14.404   0.865  -5.995
  211    HA   SER  28           HA       SER  28 -15.317   3.411  -5.293
  212   1HB   SER  28           HB2      SER  28 -16.295   1.496  -6.921
  213   2HB   SER  28           HB1      SER  28 -17.432   1.332  -5.569
  214    HG   SER  28           HG1      SER  28 -18.139   2.995  -6.910
  215    H    ALA  29           HN       ALA  29 -15.639   0.406  -3.526
  216    HA   ALA  29           HA       ALA  29 -17.503   1.470  -1.563
  217   1HB   ALA  29           HB1      ALA  29 -16.662  -1.055  -2.265
  218   2HB   ALA  29           HB3      ALA  29 -15.845  -0.805  -0.726
  219   3HB   ALA  29           HB2      ALA  29 -17.598  -0.671  -0.823
  220    H    ILE  30           HN       ILE  30 -14.024   1.215  -1.853
  221    HA   ILE  30           HA       ILE  30 -13.555   2.031   0.920
  222    HB   ILE  30           HB       ILE  30 -11.666   1.817  -1.438
  223   1HG1  ILE  30          HG12      ILE  30 -12.809  -0.319  -0.622
  224   2HG1  ILE  30          HG11      ILE  30 -11.055  -0.342  -0.613
  225   1HG2  ILE  30          HG23      ILE  30 -11.314   2.766   1.334
  226   2HG2  ILE  30          HG22      ILE  30 -10.133   1.564   0.823
  227   3HG2  ILE  30          HG21      ILE  30 -10.321   3.057  -0.090
  228   1HD1  ILE  30           HD3      ILE  30 -12.087   0.645   1.942
  229   2HD1  ILE  30           HD2      ILE  30 -12.735  -0.935   1.555
  230   3HD1  ILE  30           HD1      ILE  30 -10.997  -0.690   1.624
  231    H    LYS  31           HN       LYS  31 -13.884   4.065   1.544
  232    HA   LYS  31           HA       LYS  31 -13.900   6.252  -0.406
  233   1HB   LYS  31           HB2      LYS  31 -14.286   6.186   2.595
  234   2HB   LYS  31           HB1      LYS  31 -14.413   7.650   1.625
  235   1HG   LYS  31           HG2      LYS  31 -16.198   6.598   0.271
  236   2HG   LYS  31           HG1      LYS  31 -16.070   5.134   1.240
  237   1HD   LYS  31           HD2      LYS  31 -16.355   7.435   2.970
  238   2HD   LYS  31           HD1      LYS  31 -17.658   7.413   1.788
  239   1HE   LYS  31           HE2      LYS  31 -18.302   6.101   3.761
  240   2HE   LYS  31           HE1      LYS  31 -18.120   5.037   2.373
  241   1HZ   LYS  31           HZ3      LYS  31 -15.798   4.637   3.175
  242   2HZ   LYS  31           HZ2      LYS  31 -16.227   5.436   4.611
  243   3HZ   LYS  31           HZ1      LYS  31 -17.029   4.008   4.162
  244    H    GLY  32           HN       GLY  32 -11.888   6.743  -1.137
  245   1HA   GLY  32           HA2      GLY  32  -9.451   6.562   0.237
  246   2HA   GLY  32           HA1      GLY  32  -9.749   7.713  -1.062
  247    H    THR  33           HN       THR  33  -8.343   7.842   1.647
  248    HA   THR  33           HA       THR  33  -9.545  10.450   2.434
  249    HB   THR  33           HB       THR  33  -9.161   9.764   4.887
  250    HG1  THR  33           HG1      THR  33  -8.844   7.548   5.145
  251   1HG2  THR  33          HG23      THR  33 -11.382   9.281   3.287
  252   2HG2  THR  33          HG22      THR  33 -11.003   7.676   3.901
  253   3HG2  THR  33          HG21      THR  33 -11.325   8.993   5.022
  254    H    GLY  34           HN       GLY  34  -7.133   9.554   0.956
  255   1HA   GLY  34           HA2      GLY  34  -4.779   9.816   2.514
  256   2HA   GLY  34           HA1      GLY  34  -4.888  10.214   0.804
  257    H    VAL  35           HN       VAL  35  -3.514  12.003   1.122
  258    HA   VAL  35           HA       VAL  35  -3.633  14.075   2.937
  259    HB   VAL  35           HB       VAL  35  -3.307  14.369  -0.060
  260   1HG1  VAL  35          HG13      VAL  35  -2.720  16.182   2.290
  261   2HG1  VAL  35          HG12      VAL  35  -1.881  16.361   0.752
  262   3HG1  VAL  35          HG11      VAL  35  -3.630  16.557   0.830
  263   1HG2  VAL  35          HG21      VAL  35  -1.791  12.851   1.641
  264   2HG2  VAL  35          HG23      VAL  35  -1.154  13.636   0.201
  265   3HG2  VAL  35          HG22      VAL  35  -0.980  14.409   1.774
  266    H    GLY  36           HN       GLY  36  -6.052  13.233   0.638
  267   1HA   GLY  36           HA2      GLY  36  -8.210  14.510   1.652
  268   2HA   GLY  36           HA1      GLY  36  -7.406  15.846   0.835
  269    H    GLY  37           HN       GLY  37  -7.421  12.511  -0.284
  270   1HA   GLY  37           HA2      GLY  37  -9.445  12.050  -1.915
  271   2HA   GLY  37           HA1      GLY  37  -8.781  13.438  -2.763
  272    NH1  ARG  38           NH2      ARG  38  -1.395  10.766  -5.318
  273    NH2  ARG  38           NH1      ARG  38   0.214  10.792  -3.695
  274    H    ARG  38           HN       ARG  38  -7.029  10.842  -1.130
  275    HA   ARG  38           HA       ARG  38  -6.148   9.782  -3.761
  276   1HB   ARG  38           HB2      ARG  38  -4.388  11.024  -1.665
  277   2HB   ARG  38           HB1      ARG  38  -3.758   9.744  -2.696
  278   1HG   ARG  38           HG2      ARG  38  -4.293  11.020  -4.699
  279   2HG   ARG  38           HG1      ARG  38  -5.113  12.250  -3.745
  280   1HD   ARG  38           HD2      ARG  38  -2.690  12.771  -4.461
  281   2HD   ARG  38           HD1      ARG  38  -3.068  12.989  -2.753
  282    HE   ARG  38           HE       ARG  38  -1.908  10.870  -2.298
  283   1HH1  ARG  38          HH21      ARG  38  -2.353  10.888  -5.574
  284   2HH1  ARG  38          HH22      ARG  38  -0.720  10.511  -6.010
  285   1HH2  ARG  38          HH11      ARG  38   0.461  10.933  -2.737
  286   2HH2  ARG  38          HH12      ARG  38   0.916  10.538  -4.360
  287    H    LEU  39           HN       LEU  39  -6.536   7.666  -3.671
  288    HA   LEU  39           HA       LEU  39  -7.115   6.179  -1.347
  289   1HB   LEU  39           HB2      LEU  39  -7.639   5.430  -3.656
  290   2HB   LEU  39           HB1      LEU  39  -5.927   5.160  -3.946
  291    HG   LEU  39           HG       LEU  39  -5.886   3.485  -2.104
  292   1HD1  LEU  39          HD12      LEU  39  -8.712   4.447  -1.822
  293   2HD1  LEU  39          HD11      LEU  39  -8.379   2.751  -1.489
  294   3HD1  LEU  39          HD13      LEU  39  -7.555   4.007  -0.571
  295   1HD2  LEU  39          HD21      LEU  39  -6.378   2.789  -4.446
  296   2HD2  LEU  39          HD23      LEU  39  -7.182   1.755  -3.270
  297   3HD2  LEU  39          HD22      LEU  39  -8.098   2.991  -4.124
  298    H    THR  40           HN       THR  40  -5.885   4.657  -0.145
  299    HA   THR  40           HA       THR  40  -2.924   4.835  -0.438
  300    HB   THR  40           HB       THR  40  -2.584   5.454   1.855
  301    HG1  THR  40           HG1      THR  40  -4.012   4.038   2.789
  302   1HG2  THR  40          HG21      THR  40  -3.694   7.326   0.478
  303   2HG2  THR  40          HG23      THR  40  -5.218   6.820   1.201
  304   3HG2  THR  40          HG22      THR  40  -3.923   7.439   2.220
  305    NH1  ARG  41           NH2      ARG  41  -1.012  -3.518   2.297
  306    NH2  ARG  41           NH1      ARG  41  -2.370  -3.565   4.135
  307    H    ARG  41           HN       ARG  41  -2.221   3.366   1.781
  308    HA   ARG  41           HA       ARG  41  -3.244   0.691   1.000
  309   1HB   ARG  41           HB2      ARG  41  -0.801   1.049   1.052
  310   2HB   ARG  41           HB1      ARG  41  -0.903   1.466   2.758
  311   1HG   ARG  41           HG2      ARG  41  -2.267  -1.047   2.244
  312   2HG   ARG  41           HG1      ARG  41  -0.609  -1.122   1.659
  313   1HD   ARG  41           HD2      ARG  41   0.161  -0.245   3.897
  314   2HD   ARG  41           HD1      ARG  41  -1.504  -0.359   4.465
  315    HE   ARG  41           HE       ARG  41   0.126  -2.495   4.706
  316   1HH1  ARG  41          HH21      ARG  41  -0.204  -3.147   1.838
  317   2HH1  ARG  41          HH22      ARG  41  -1.578  -4.201   1.838
  318   1HH2  ARG  41          HH11      ARG  41  -2.580  -3.229   5.053
  319   2HH2  ARG  41          HH12      ARG  41  -2.959  -4.249   3.705
  320    H    GLU  42           HN       GLU  42  -3.049   2.851   3.753
  321    HA   GLU  42           HA       GLU  42  -3.993   0.934   5.702
  322   1HB   GLU  42           HB2      GLU  42  -4.159   3.958   5.773
  323   2HB   GLU  42           HB1      GLU  42  -4.308   2.877   7.154
  324   1HG   GLU  42           HG2      GLU  42  -1.854   3.051   5.371
  325   2HG   GLU  42           HG1      GLU  42  -2.008   3.851   6.932
  326    H    ASP  43           HN       ASP  43  -5.513   2.323   3.102
  327    HA   ASP  43           HA       ASP  43  -8.171   2.473   4.419
  328   1HB   ASP  43           HB2      ASP  43  -7.128   3.298   1.713
  329   2HB   ASP  43           HB1      ASP  43  -8.858   3.215   2.042
  330    H    VAL  44           HN       VAL  44  -6.300   0.479   2.283
  331    HA   VAL  44           HA       VAL  44  -8.677  -1.149   1.566
  332    HB   VAL  44           HB       VAL  44  -5.830  -1.706   0.737
  333   1HG1  VAL  44          HG12      VAL  44  -8.060  -3.160   0.347
  334   2HG1  VAL  44          HG11      VAL  44  -8.235  -2.043  -1.003
  335   3HG1  VAL  44          HG13      VAL  44  -6.796  -3.051  -0.876
  336   1HG2  VAL  44          HG23      VAL  44  -7.807   0.267  -0.455
  337   2HG2  VAL  44          HG22      VAL  44  -6.214   0.637   0.198
  338   3HG2  VAL  44          HG21      VAL  44  -6.362  -0.299  -1.287
  339    H    GLU  45           HN       GLU  45  -6.026  -1.113   3.750
  340    HA   GLU  45           HA       GLU  45  -5.620  -3.871   4.236
  341   1HB   GLU  45           HB2      GLU  45  -4.211  -2.128   5.234
  342   2HB   GLU  45           HB1      GLU  45  -5.567  -1.575   6.211
  343   1HG   GLU  45           HG2      GLU  45  -5.257  -3.229   7.733
  344   2HG   GLU  45           HG1      GLU  45  -5.123  -4.456   6.475
  345    H    LYS  46           HN       LYS  46  -7.812  -1.660   5.969
  346    HA   LYS  46           HA       LYS  46  -9.123  -3.873   7.345
  347   1HB   LYS  46           HB2      LYS  46  -9.891  -0.952   7.103
  348   2HB   LYS  46           HB1      LYS  46 -10.650  -2.108   8.190
  349   1HG   LYS  46           HG2      LYS  46  -7.856  -2.355   8.604
  350   2HG   LYS  46           HG1      LYS  46  -8.194  -0.629   8.557
  351   1HD   LYS  46           HD2      LYS  46 -10.074  -1.021  10.190
  352   2HD   LYS  46           HD1      LYS  46  -9.547  -2.695  10.321
  353   1HE   LYS  46           HE2      LYS  46  -8.568  -1.356  12.139
  354   2HE   LYS  46           HE1      LYS  46  -7.304  -1.920  11.054
  355   1HZ   LYS  46           HZ1      LYS  46  -8.522   0.677  10.497
  356   2HZ   LYS  46           HZ3      LYS  46  -7.456   0.568  11.815
  357   3HZ   LYS  46           HZ2      LYS  46  -6.926   0.151  10.256
  358    H    HIS  47           HN       HIS  47  -9.215  -4.378   4.651
  359    HA   HIS  47           HA       HIS  47 -12.125  -4.459   4.211
  360   1HB   HIS  47           HB2      HIS  47 -11.793  -2.402   3.114
  361   2HB   HIS  47           HB1      HIS  47 -10.236  -2.899   2.460
  362    HD1  HIS  47           HD1      HIS  47 -13.710  -2.897   1.634
  363    HD2  HIS  47           HD2      HIS  47 -10.449  -4.960   0.384
  364    HE1  HIS  47           HE1      HIS  47 -14.380  -3.908  -0.469
  365    H    LEU  48           HN       LEU  48  -8.882  -5.260   3.133
  366    HA   LEU  48           HA       LEU  48  -9.437  -7.125   1.110
  367   1HB   LEU  48           HB2      LEU  48  -7.256  -6.855   3.142
  368   2HB   LEU  48           HB1      LEU  48  -7.325  -8.322   2.172
  369    HG   LEU  48           HG       LEU  48  -7.618  -5.696   0.758
  370   1HD1  LEU  48          HD13      LEU  48  -5.120  -6.740   2.077
  371   2HD1  LEU  48          HD12      LEU  48  -5.001  -5.868   0.552
  372   3HD1  LEU  48          HD11      LEU  48  -5.700  -5.081   1.963
  373   1HD2  LEU  48          HD23      LEU  48  -7.814  -7.883  -0.417
  374   2HD2  LEU  48          HD22      LEU  48  -6.436  -6.955  -0.999
  375   3HD2  LEU  48          HD21      LEU  48  -6.187  -8.297   0.112
  376    H    ALA  49           HN       ALA  49  -9.344  -7.639   4.613
  377    HA   ALA  49           HA       ALA  49  -9.730 -10.397   4.746
  378   1HB   ALA  49           HB1      ALA  49 -10.853  -8.171   6.447
  379   2HB   ALA  49           HB3      ALA  49 -11.122  -9.866   6.838
  380   3HB   ALA  49           HB2      ALA  49  -9.483  -9.222   6.798
  381    H    LYS  50           HN       LYS  50 -12.551  -8.409   5.441
  382    HA   LYS  50           HA       LYS  50 -14.089  -9.694   3.272
  383   1HB   LYS  50           HB2      LYS  50 -14.019 -10.991   5.665
  384   2HB   LYS  50           HB1      LYS  50 -15.403  -9.931   5.909
  385   1HG   LYS  50           HG2      LYS  50 -16.284 -10.726   3.665
  386   2HG   LYS  50           HG1      LYS  50 -14.998 -11.928   3.662
  387   1HD   LYS  50           HD2      LYS  50 -16.551 -13.215   4.746
  388   2HD   LYS  50           HD1      LYS  50 -16.021 -12.309   6.161
  389   1HE   LYS  50           HE2      LYS  50 -18.397 -11.685   4.379
  390   2HE   LYS  50           HE1      LYS  50 -18.443 -12.189   6.063
  391   1HZ   LYS  50           HZ2      LYS  50 -17.124 -10.120   6.542
  392   2HZ   LYS  50           HZ1      LYS  50 -17.481  -9.622   4.958
  393   3HZ   LYS  50           HZ3      LYS  50 -18.738  -9.884   6.069
  394    H    ALA  51           HN       ALA  51 -15.737  -8.425   2.576
  395    HA   ALA  51           HA       ALA  51 -15.958  -5.743   3.724
  396   1HB   ALA  51           HB3      ALA  51 -16.152  -6.575   1.205
  397   2HB   ALA  51           HB2      ALA  51 -17.853  -6.728   1.634
  398   3HB   ALA  51           HB1      ALA  51 -17.048  -5.167   1.765
   
 Raw file had 398 H/Q atoms
  Start of MODEL   40
    1    OH   TYR   1           OH       TYR   1  37.601   1.584  -7.968
    2   1H    TYR   1           HT1      TYR   1  29.935   2.240  -8.710
    3   2H    TYR   1           HT3      TYR   1  30.745   3.506  -7.919
    4   3H    TYR   1           HT2      TYR   1  31.561   2.568  -9.076
    5    HA   TYR   1           HA       TYR   1  31.792   0.773  -7.700
    6   1HB   TYR   1           HB2      TYR   1  31.993   3.359  -6.227
    7   2HB   TYR   1           HB1      TYR   1  32.095   1.877  -5.279
    8    HD1  TYR   1           HD1      TYR   1  33.458   3.348  -8.446
    9    HD2  TYR   1           HD2      TYR   1  34.185   0.829  -5.095
   10    HE1  TYR   1           HE1      TYR   1  35.777   3.038  -9.180
   11    HE2  TYR   1           HE2      TYR   1  36.503   0.521  -5.829
   12    HH   TYR   1           HH       TYR   1  38.001   0.911  -7.412
   13    H    ALA   2           HN       ALA   2  31.193  -0.063  -5.352
   14    HA   ALA   2           HA       ALA   2  28.320   0.383  -4.777
   15   1HB   ALA   2           HB3      ALA   2  29.494  -2.319  -5.484
   16   2HB   ALA   2           HB2      ALA   2  27.881  -2.074  -4.821
   17   3HB   ALA   2           HB1      ALA   2  28.288  -1.430  -6.409
   18    H    SER   3           HN       SER   3  27.851   0.170  -2.645
   19    HA   SER   3           HA       SER   3  29.725  -1.302  -0.886
   20   1HB   SER   3           HB2      SER   3  29.190   1.670  -0.729
   21   2HB   SER   3           HB1      SER   3  29.745   0.744   0.679
   22    HG   SER   3           HG1      SER   3  31.471   1.554  -0.667
   23    H    LEU   4           HN       LEU   4  27.952   0.910   0.851
   24    HA   LEU   4           HA       LEU   4  26.398  -0.877   2.289
   25   1HB   LEU   4           HB2      LEU   4  25.318   1.829   1.509
   26   2HB   LEU   4           HB1      LEU   4  25.103   0.968   3.029
   27    HG   LEU   4           HG       LEU   4  27.846   1.129   2.868
   28   1HD1  LEU   4          HD12      LEU   4  27.415   2.649   0.823
   29   2HD1  LEU   4          HD11      LEU   4  26.814   3.832   1.981
   30   3HD1  LEU   4          HD13      LEU   4  28.485   3.282   2.071
   31   1HD2  LEU   4          HD23      LEU   4  25.882   3.096   4.096
   32   2HD2  LEU   4          HD22      LEU   4  26.502   1.632   4.854
   33   3HD2  LEU   4          HD21      LEU   4  27.585   2.983   4.534
   34    H    GLU   5           HN       GLU   5  25.090  -2.406   1.499
   35    HA   GLU   5           HA       GLU   5  23.904  -2.589  -1.000
   36   1HB   GLU   5           HB2      GLU   5  23.052  -3.600   1.696
   37   2HB   GLU   5           HB1      GLU   5  22.029  -3.882   0.293
   38   1HG   GLU   5           HG2      GLU   5  23.691  -5.153  -0.814
   39   2HG   GLU   5           HG1      GLU   5  24.981  -4.514   0.202
   40    H    GLU   6           HN       GLU   6  22.390  -1.478  -2.066
   41    HA   GLU   6           HA       GLU   6  20.262  -0.085  -0.541
   42   1HB   GLU   6           HB2      GLU   6  22.255   1.472  -0.978
   43   2HB   GLU   6           HB1      GLU   6  21.813   1.374  -2.680
   44   1HG   GLU   6           HG2      GLU   6  20.656   3.293  -1.859
   45   2HG   GLU   6           HG1      GLU   6  19.433   2.026  -1.922
   46    H    GLN   7           HN       GLN   7  18.470  -0.924  -1.408
   47    HA   GLN   7           HA       GLN   7  17.873  -0.540  -4.219
   48   1HB   GLN   7           HB2      GLN   7  17.540  -3.019  -4.672
   49   2HB   GLN   7           HB1      GLN   7  19.215  -2.487  -4.580
   50   1HG   GLN   7           HG2      GLN   7  19.444  -3.316  -2.330
   51   2HG   GLN   7           HG1      GLN   7  17.710  -3.598  -2.194
   52   1HE2  GLN   7          HE22      GLN   7  18.670  -6.948  -2.999
   53   2HE2  GLN   7          HE21      GLN   7  18.304  -5.900  -1.715
   54    H    ASN   8           HN       ASN   8  15.691  -0.767  -4.649
   55    HA   ASN   8           HA       ASN   8  13.432  -0.562  -3.973
   56   1HB   ASN   8           HB2      ASN   8  12.500  -2.687  -3.279
   57   2HB   ASN   8           HB1      ASN   8  13.792  -3.007  -4.431
   58   1HD2  ASN   8          HD22      ASN   8  15.707  -4.846  -2.132
   59   2HD2  ASN   8          HD21      ASN   8  15.481  -4.338  -3.736
   60    H    ASN   9           HN       ASN   9  12.115  -1.638  -1.736
   61    HA   ASN   9           HA       ASN   9  13.473  -0.429   0.611
   62   1HB   ASN   9           HB2      ASN   9  11.442   0.899   1.156
   63   2HB   ASN   9           HB1      ASN   9  12.177   1.411  -0.362
   64   1HD2  ASN   9          HD22      ASN   9   8.520   0.996  -0.966
   65   2HD2  ASN   9          HD21      ASN   9   9.475   1.985   0.030
   66    H    ASP  10           HN       ASP  10  12.528  -1.051   2.633
   67    HA   ASP  10           HA       ASP  10  11.176  -3.680   2.454
   68   1HB   ASP  10           HB2      ASP  10  13.245  -3.220   3.905
   69   2HB   ASP  10           HB1      ASP  10  12.160  -2.331   4.971
   70    H    ALA  11           HN       ALA  11   9.371  -1.936   1.685
   71    HA   ALA  11           HA       ALA  11   7.329  -2.088   3.726
   72   1HB   ALA  11           HB2      ALA  11   8.611  -0.139   4.577
   73   2HB   ALA  11           HB1      ALA  11   8.360   0.678   3.038
   74   3HB   ALA  11           HB3      ALA  11   6.984   0.316   4.076
   75    H    LEU  12           HN       LEU  12   6.494   0.657   2.296
   76    HA   LEU  12           HA       LEU  12   4.483  -0.299   0.647
   77   1HB   LEU  12           HB2      LEU  12   6.182   2.184   0.343
   78   2HB   LEU  12           HB1      LEU  12   4.765   1.874  -0.654
   79    HG   LEU  12           HG       LEU  12   4.418   1.558   2.290
   80   1HD1  LEU  12          HD13      LEU  12   5.036   4.156   0.895
   81   2HD1  LEU  12          HD12      LEU  12   3.915   4.138   2.253
   82   3HD1  LEU  12          HD11      LEU  12   5.576   3.597   2.474
   83   1HD2  LEU  12          HD23      LEU  12   2.664   1.293   0.402
   84   2HD2  LEU  12          HD22      LEU  12   2.208   2.281   1.786
   85   3HD2  LEU  12          HD21      LEU  12   2.714   3.050   0.285
   86    H    SER  13           HN       SER  13   4.290  -0.560  -1.665
   87    HA   SER  13           HA       SER  13   6.801  -0.902  -3.164
   88   1HB   SER  13           HB2      SER  13   6.839  -3.167  -3.019
   89   2HB   SER  13           HB1      SER  13   5.394  -3.116  -1.991
   90    HG   SER  13           HG1      SER  13   4.124  -3.280  -3.721
   91    HA   PRO  14           HA       PRO  14   4.467   0.432  -6.639
   92   1HB   PRO  14           HB2      PRO  14   5.177  -1.617  -8.497
   93   2HB   PRO  14           HB1      PRO  14   5.890  -0.010  -8.342
   94   1HG   PRO  14           HG2      PRO  14   7.032  -2.581  -7.540
   95   2HG   PRO  14           HG1      PRO  14   7.806  -0.996  -7.540
   96   1HD   PRO  14           HD1      PRO  14   6.931  -2.475  -5.256
   97   2HD   PRO  14           HD2      PRO  14   7.553  -0.817  -5.284
   98    H    ALA  15           HN       ALA  15   4.418  -3.095  -6.256
   99    HA   ALA  15           HA       ALA  15   2.123  -3.783  -7.657
  100   1HB   ALA  15           HB2      ALA  15   3.650  -5.299  -6.278
  101   2HB   ALA  15           HB1      ALA  15   2.672  -4.847  -4.886
  102   3HB   ALA  15           HB3      ALA  15   1.935  -5.691  -6.244
  103    H    ILE  16           HN       ILE  16   2.342  -1.949  -4.716
  104    HA   ILE  16           HA       ILE  16  -0.177  -2.203  -3.574
  105    HB   ILE  16           HB       ILE  16   1.756  -0.605  -2.937
  106   1HG1  ILE  16          HG12      ILE  16  -1.172   0.175  -2.803
  107   2HG1  ILE  16          HG11      ILE  16  -0.251  -0.715  -1.596
  108   1HG2  ILE  16          HG23      ILE  16   1.465   0.536  -5.278
  109   2HG2  ILE  16          HG22      ILE  16   0.144   1.402  -4.500
  110   3HG2  ILE  16          HG21      ILE  16   1.783   1.550  -3.874
  111   1HD1  ILE  16           HD1      ILE  16   1.290   1.409  -1.583
  112   2HD1  ILE  16           HD3      ILE  16  -0.102   2.208  -2.308
  113   3HD1  ILE  16           HD2      ILE  16  -0.242   1.465  -0.718
  114    NH1  ARG  17           NH2      ARG  17   0.903   4.803  -8.997
  115    NH2  ARG  17           NH1      ARG  17  -0.602   5.405 -10.607
  116    H    ARG  17           HN       ARG  17   0.577  -1.040  -6.706
  117    HA   ARG  17           HA       ARG  17  -2.042   0.294  -7.032
  118   1HB   ARG  17           HB2      ARG  17   0.301  -0.105  -8.905
  119   2HB   ARG  17           HB1      ARG  17  -1.190   0.706  -9.373
  120   1HG   ARG  17           HG2      ARG  17   0.052   1.636  -6.837
  121   2HG   ARG  17           HG1      ARG  17   0.937   2.018  -8.309
  122   1HD   ARG  17           HD2      ARG  17  -2.034   2.523  -8.150
  123   2HD   ARG  17           HD1      ARG  17  -0.895   3.697  -7.494
  124    HE   ARG  17           HE       ARG  17  -1.053   2.899 -10.364
  125   1HH1  ARG  17          HH21      ARG  17   1.223   4.127  -8.334
  126   2HH1  ARG  17          HH22      ARG  17   1.387   5.672  -9.098
  127   1HH2  ARG  17          HH11      ARG  17  -1.410   5.179 -11.152
  128   2HH2  ARG  17          HH12      ARG  17  -0.144   6.284 -10.735
  129    NH1  ARG  18           NH2      ARG  18  -1.637  -4.803 -14.753
  130    NH2  ARG  18           NH1      ARG  18  -0.903  -6.912 -14.268
  131    H    ARG  18           HN       ARG  18  -0.272  -2.491  -8.322
  132    HA   ARG  18           HA       ARG  18  -2.602  -3.400  -9.853
  133   1HB   ARG  18           HB2      ARG  18   0.052  -4.735  -9.259
  134   2HB   ARG  18           HB1      ARG  18  -1.162  -5.365 -10.367
  135   1HG   ARG  18           HG2      ARG  18  -0.342  -2.529 -10.769
  136   2HG   ARG  18           HG1      ARG  18   0.849  -3.756 -11.183
  137   1HD   ARG  18           HD2      ARG  18  -2.022  -3.781 -12.176
  138   2HD   ARG  18           HD1      ARG  18  -0.662  -3.151 -13.105
  139    HE   ARG  18           HE       ARG  18  -0.087  -5.827 -12.225
  140   1HH1  ARG  18          HH21      ARG  18  -1.741  -3.848 -14.477
  141   2HH1  ARG  18          HH22      ARG  18  -1.977  -5.105 -15.644
  142   1HH2  ARG  18          HH11      ARG  18  -0.455  -7.537 -13.628
  143   2HH2  ARG  18          HH12      ARG  18  -1.229  -7.250 -15.150
  144    H    LEU  19           HN       LEU  19  -1.747  -3.497  -6.652
  145    HA   LEU  19           HA       LEU  19  -2.410  -6.145  -5.849
  146   1HB   LEU  19           HB2      LEU  19  -1.416  -4.214  -4.454
  147   2HB   LEU  19           HB1      LEU  19  -3.081  -3.696  -4.220
  148    HG   LEU  19           HG       LEU  19  -3.345  -6.332  -3.643
  149   1HD1  LEU  19          HD13      LEU  19  -0.901  -6.715  -3.991
  150   2HD1  LEU  19          HD12      LEU  19  -0.559  -5.555  -2.711
  151   3HD1  LEU  19          HD11      LEU  19  -1.394  -7.060  -2.336
  152   1HD2  LEU  19          HD21      LEU  19  -2.394  -4.137  -1.771
  153   2HD2  LEU  19          HD23      LEU  19  -4.066  -4.480  -2.203
  154   3HD2  LEU  19          HD22      LEU  19  -3.147  -5.640  -1.249
  155    H    LEU  20           HN       LEU  20  -4.347  -3.670  -7.144
  156    HA   LEU  20           HA       LEU  20  -6.857  -4.529  -5.915
  157   1HB   LEU  20           HB2      LEU  20  -6.280  -2.722  -8.275
  158   2HB   LEU  20           HB1      LEU  20  -7.881  -2.981  -7.591
  159    HG   LEU  20           HG       LEU  20  -5.694  -2.222  -5.701
  160   1HD1  LEU  20          HD13      LEU  20  -7.047  -0.281  -7.608
  161   2HD1  LEU  20          HD12      LEU  20  -6.052   0.184  -6.231
  162   3HD1  LEU  20          HD11      LEU  20  -5.331  -0.677  -7.588
  163   1HD2  LEU  20          HD22      LEU  20  -8.144  -2.714  -5.124
  164   2HD2  LEU  20          HD21      LEU  20  -7.512  -1.182  -4.530
  165   3HD2  LEU  20          HD23      LEU  20  -8.542  -1.216  -5.958
  166    H    ALA  21           HN       ALA  21  -4.915  -5.576  -8.504
  167    HA   ALA  21           HA       ALA  21  -7.187  -6.885  -9.896
  168   1HB   ALA  21           HB2      ALA  21  -4.239  -6.696 -10.564
  169   2HB   ALA  21           HB1      ALA  21  -5.419  -7.561 -11.545
  170   3HB   ALA  21           HB3      ALA  21  -5.555  -5.817 -11.338
  171    H    GLU  22           HN       GLU  22  -4.448  -7.605  -7.861
  172    HA   GLU  22           HA       GLU  22  -4.361 -10.437  -8.288
  173   1HB   GLU  22           HB2      GLU  22  -2.510  -9.395  -7.176
  174   2HB   GLU  22           HB1      GLU  22  -3.559  -8.718  -5.935
  175   1HG   GLU  22           HG2      GLU  22  -3.935 -10.829  -4.932
  176   2HG   GLU  22           HG1      GLU  22  -3.405 -11.703  -6.368
  177    H    HIS  23           HN       HIS  23  -6.042  -8.473  -5.854
  178    HA   HIS  23           HA       HIS  23  -7.495 -10.885  -4.926
  179   1HB   HIS  23           HB2      HIS  23  -7.876  -8.089  -3.867
  180   2HB   HIS  23           HB1      HIS  23  -8.128  -9.621  -3.034
  181    HD1  HIS  23           HD1      HIS  23  -5.664 -10.990  -3.106
  182    HD2  HIS  23           HD2      HIS  23  -5.558  -6.934  -3.035
  183    HE1  HIS  23           HE1      HIS  23  -3.440 -10.438  -2.306
  184    H    ASN  24           HN       ASN  24  -7.844  -8.931  -7.441
  185    HA   ASN  24           HA       ASN  24  -9.671  -8.171  -8.717
  186   1HB   ASN  24           HB2      ASN  24 -10.759 -10.609  -7.309
  187   2HB   ASN  24           HB1      ASN  24 -11.710  -9.717  -8.494
  188   1HD2  ASN  24          HD22      ASN  24  -8.363 -11.748  -9.759
  189   2HD2  ASN  24          HD21      ASN  24  -8.481 -11.271  -8.135
  190    H    LEU  25           HN       LEU  25  -9.399  -6.432  -6.805
  191    HA   LEU  25           HA       LEU  25 -12.179  -5.934  -5.845
  192   1HB   LEU  25           HB2      LEU  25  -9.667  -6.068  -4.231
  193   2HB   LEU  25           HB1      LEU  25 -10.876  -4.869  -3.787
  194    HG   LEU  25           HG       LEU  25 -11.775  -7.682  -4.326
  195   1HD1  LEU  25          HD13      LEU  25 -10.316  -6.689  -1.865
  196   2HD1  LEU  25          HD12      LEU  25 -11.419  -8.061  -1.806
  197   3HD1  LEU  25          HD11      LEU  25  -9.977  -8.133  -2.815
  198   1HD2  LEU  25          HD23      LEU  25 -13.181  -5.510  -3.758
  199   2HD2  LEU  25          HD22      LEU  25 -13.611  -7.052  -3.021
  200   3HD2  LEU  25          HD21      LEU  25 -12.682  -5.868  -2.108
  201    H    ASP  26           HN       ASP  26 -12.861  -3.923  -6.280
  202    HA   ASP  26           HA       ASP  26 -10.944  -2.041  -7.505
  203   1HB   ASP  26           HB2      ASP  26 -13.945  -2.168  -7.301
  204   2HB   ASP  26           HB1      ASP  26 -13.141  -0.689  -7.818
  205    H    ALA  27           HN       ALA  27 -10.365  -0.088  -6.644
  206    HA   ALA  27           HA       ALA  27 -10.674   0.242  -3.773
  207   1HB   ALA  27           HB1      ALA  27  -9.202   1.594  -5.961
  208   2HB   ALA  27           HB3      ALA  27  -9.615   2.605  -4.580
  209   3HB   ALA  27           HB2      ALA  27  -8.655   1.147  -4.348
  210    H    SER  28           HN       SER  28 -12.485   1.176  -6.490
  211    HA   SER  28           HA       SER  28 -13.572   3.666  -5.705
  212   1HB   SER  28           HB2      SER  28 -15.145   3.320  -7.384
  213   2HB   SER  28           HB1      SER  28 -13.977   2.063  -7.839
  214    HG   SER  28           HG1      SER  28 -16.254   1.393  -7.453
  215    H    ALA  29           HN       ALA  29 -14.564   0.382  -4.840
  216    HA   ALA  29           HA       ALA  29 -16.834   1.208  -3.260
  217   1HB   ALA  29           HB3      ALA  29 -16.207  -1.147  -4.234
  218   2HB   ALA  29           HB2      ALA  29 -15.323  -1.331  -2.722
  219   3HB   ALA  29           HB1      ALA  29 -17.062  -1.049  -2.697
  220    H    ILE  30           HN       ILE  30 -13.440   0.627  -2.558
  221    HA   ILE  30           HA       ILE  30 -13.769   0.880   0.322
  222    HB   ILE  30           HB       ILE  30 -11.225   1.213  -1.293
  223   1HG1  ILE  30          HG12      ILE  30 -12.222  -0.883  -1.978
  224   2HG1  ILE  30          HG11      ILE  30 -10.927  -1.265  -0.853
  225   1HG2  ILE  30          HG22      ILE  30 -11.851   1.191   1.548
  226   2HG2  ILE  30          HG21      ILE  30 -10.753  -0.123   1.149
  227   3HG2  ILE  30          HG23      ILE  30 -10.321   1.534   0.752
  228   1HD1  ILE  30           HD2      ILE  30 -12.821  -1.163   0.965
  229   2HD1  ILE  30           HD1      ILE  30 -13.909  -1.350  -0.404
  230   3HD1  ILE  30           HD3      ILE  30 -12.708  -2.589  -0.058
  231    H    LYS  31           HN       LYS  31 -14.389   2.768   1.174
  232    HA   LYS  31           HA       LYS  31 -14.069   5.312  -0.105
  233   1HB   LYS  31           HB2      LYS  31 -14.302   5.249   2.852
  234   2HB   LYS  31           HB1      LYS  31 -15.252   6.142   1.670
  235   1HG   LYS  31           HG2      LYS  31 -16.175   3.816   0.965
  236   2HG   LYS  31           HG1      LYS  31 -15.526   3.251   2.499
  237   1HD   LYS  31           HD2      LYS  31 -17.540   5.488   2.112
  238   2HD   LYS  31           HD1      LYS  31 -17.859   3.907   2.816
  239   1HE   LYS  31           HE2      LYS  31 -15.890   4.589   4.453
  240   2HE   LYS  31           HE1      LYS  31 -16.330   6.221   3.967
  241   1HZ   LYS  31           HZ2      LYS  31 -18.602   4.608   4.614
  242   2HZ   LYS  31           HZ1      LYS  31 -17.524   4.764   5.918
  243   3HZ   LYS  31           HZ3      LYS  31 -18.169   6.151   5.178
  244    H    GLY  32           HN       GLY  32 -12.258   6.447  -0.345
  245   1HA   GLY  32           HA2      GLY  32  -9.950   5.869   1.433
  246   2HA   GLY  32           HA1      GLY  32  -9.867   6.727  -0.104
  247    H    THR  33           HN       THR  33  -9.254   7.274   2.934
  248    HA   THR  33           HA       THR  33 -10.825   9.690   3.440
  249    HB   THR  33           HB       THR  33  -9.066   9.917   5.361
  250    HG1  THR  33           HG1      THR  33  -7.450   8.608   4.940
  251   1HG2  THR  33          HG22      THR  33 -10.784   7.431   5.022
  252   2HG2  THR  33          HG21      THR  33  -9.947   7.819   6.522
  253   3HG2  THR  33          HG23      THR  33 -11.208   8.888   5.915
  254    H    GLY  34           HN       GLY  34  -7.297   9.252   3.250
  255   1HA   GLY  34           HA2      GLY  34  -5.644  10.749   2.500
  256   2HA   GLY  34           HA1      GLY  34  -6.730  10.983   1.134
  257    H    VAL  35           HN       VAL  35  -5.649  13.184   1.353
  258    HA   VAL  35           HA       VAL  35  -6.424  14.907   3.541
  259    HB   VAL  35           HB       VAL  35  -5.330  15.424   0.776
  260   1HG1  VAL  35          HG11      VAL  35  -6.358  17.338   2.861
  261   2HG1  VAL  35          HG13      VAL  35  -4.991  17.803   1.853
  262   3HG1  VAL  35          HG12      VAL  35  -6.539  17.409   1.111
  263   1HG2  VAL  35          HG23      VAL  35  -4.049  14.502   2.934
  264   2HG2  VAL  35          HG22      VAL  35  -3.290  15.670   1.856
  265   3HG2  VAL  35          HG21      VAL  35  -4.033  16.210   3.358
  266    H    GLY  36           HN       GLY  36  -7.767  14.171   0.382
  267   1HA   GLY  36           HA2      GLY  36 -10.225  15.691   1.154
  268   2HA   GLY  36           HA1      GLY  36  -9.553  15.848  -0.465
  269    H    GLY  37           HN       GLY  37  -8.849  12.800   0.140
  270   1HA   GLY  37           HA2      GLY  37 -10.817  11.032   0.348
  271   2HA   GLY  37           HA1      GLY  37 -11.352  11.827  -1.130
  272    NH1  ARG  38           NH2      ARG  38  -3.726  13.703  -4.989
  273    NH2  ARG  38           NH1      ARG  38  -3.839  11.490  -5.549
  274    H    ARG  38           HN       ARG  38  -8.042  11.101  -0.117
  275    HA   ARG  38           HA       ARG  38  -7.656   9.656  -2.683
  276   1HB   ARG  38           HB2      ARG  38  -5.472  10.231  -0.700
  277   2HB   ARG  38           HB1      ARG  38  -5.363  10.085  -2.450
  278   1HG   ARG  38           HG2      ARG  38  -7.084  12.164  -2.293
  279   2HG   ARG  38           HG1      ARG  38  -6.201  12.413  -0.791
  280   1HD   ARG  38           HD2      ARG  38  -4.893  13.601  -2.348
  281   2HD   ARG  38           HD1      ARG  38  -4.072  12.044  -2.283
  282    HE   ARG  38           HE       ARG  38  -6.130  12.106  -4.335
  283   1HH1  ARG  38          HH21      ARG  38  -4.072  14.466  -4.444
  284   2HH1  ARG  38          HH22      ARG  38  -2.974  13.847  -5.632
  285   1HH2  ARG  38          HH11      ARG  38  -4.270  10.596  -5.424
  286   2HH2  ARG  38          HH12      ARG  38  -3.090  11.597  -6.201
  287    H    LEU  39           HN       LEU  39  -6.484   7.618  -2.691
  288    HA   LEU  39           HA       LEU  39  -7.292   5.927  -0.385
  289   1HB   LEU  39           HB2      LEU  39  -7.776   5.413  -2.901
  290   2HB   LEU  39           HB1      LEU  39  -6.098   4.881  -2.937
  291    HG   LEU  39           HG       LEU  39  -6.849   3.599  -0.709
  292   1HD1  LEU  39          HD13      LEU  39  -9.200   4.691  -1.109
  293   2HD1  LEU  39          HD12      LEU  39  -9.385   3.438  -2.332
  294   3HD1  LEU  39          HD11      LEU  39  -9.124   2.994  -0.648
  295   1HD2  LEU  39          HD23      LEU  39  -7.200   2.838  -3.607
  296   2HD2  LEU  39          HD22      LEU  39  -5.945   2.330  -2.484
  297   3HD2  LEU  39          HD21      LEU  39  -7.576   1.685  -2.330
  298    H    THR  40           HN       THR  40  -5.799   4.405   0.529
  299    HA   THR  40           HA       THR  40  -2.923   4.899  -0.022
  300    HB   THR  40           HB       THR  40  -2.411   5.342   2.336
  301    HG1  THR  40           HG1      THR  40  -4.071   3.889   3.055
  302   1HG2  THR  40          HG21      THR  40  -3.526   7.252   0.925
  303   2HG2  THR  40          HG23      THR  40  -4.971   6.885   1.861
  304   3HG2  THR  40          HG22      THR  40  -3.509   7.432   2.676
  305    NH1  ARG  41           NH1      ARG  41   2.095  -1.520   5.806
  306    NH2  ARG  41           NH2      ARG  41   1.235   0.248   6.970
  307    H    ARG  41           HN       ARG  41  -2.098   3.468   2.348
  308    HA   ARG  41           HA       ARG  41  -2.717   0.729   1.396
  309   1HB   ARG  41           HB2      ARG  41  -0.352   1.345   1.678
  310   2HB   ARG  41           HB1      ARG  41  -0.644   1.720   3.372
  311   1HG   ARG  41           HG2      ARG  41  -1.606  -0.949   2.602
  312   2HG   ARG  41           HG1      ARG  41   0.131  -0.756   2.395
  313   1HD   ARG  41           HD2      ARG  41  -1.297   0.085   4.933
  314   2HD   ARG  41           HD1      ARG  41  -0.635  -1.534   4.716
  315    HE   ARG  41           HE       ARG  41   1.259   0.658   4.201
  316   1HH1  ARG  41          HH11      ARG  41   2.188  -2.012   4.940
  317   2HH1  ARG  41          HH12      ARG  41   2.545  -1.867   6.629
  318   1HH2  ARG  41          HH21      ARG  41   0.683   1.083   6.976
  319   2HH2  ARG  41          HH22      ARG  41   1.671  -0.069   7.812
  320    H    GLU  42           HN       GLU  42  -2.785   2.664   4.357
  321    HA   GLU  42           HA       GLU  42  -3.772   0.593   6.074
  322   1HB   GLU  42           HB2      GLU  42  -4.296   3.563   6.326
  323   2HB   GLU  42           HB1      GLU  42  -4.314   2.372   7.621
  324   1HG   GLU  42           HG2      GLU  42  -2.157   3.199   7.878
  325   2HG   GLU  42           HG1      GLU  42  -1.840   1.896   6.736
  326    H    ASP  43           HN       ASP  43  -5.309   2.665   3.754
  327    HA   ASP  43           HA       ASP  43  -8.011   2.351   4.724
  328   1HB   ASP  43           HB2      ASP  43  -6.868   3.107   2.029
  329   2HB   ASP  43           HB1      ASP  43  -8.600   3.047   2.342
  330    H    VAL  44           HN       VAL  44  -6.440   0.932   1.856
  331    HA   VAL  44           HA       VAL  44  -8.452  -0.986   1.314
  332    HB   VAL  44           HB       VAL  44  -5.468  -1.127   0.801
  333   1HG1  VAL  44          HG12      VAL  44  -7.798  -2.802  -0.172
  334   2HG1  VAL  44          HG11      VAL  44  -6.269  -2.725  -1.041
  335   3HG1  VAL  44          HG13      VAL  44  -6.317  -3.359   0.601
  336   1HG2  VAL  44          HG21      VAL  44  -6.969   0.773  -0.174
  337   2HG2  VAL  44          HG23      VAL  44  -5.942  -0.125  -1.287
  338   3HG2  VAL  44          HG22      VAL  44  -7.659  -0.497  -1.179
  339    H    GLU  45           HN       GLU  45  -5.958  -0.936   3.714
  340    HA   GLU  45           HA       GLU  45  -5.900  -3.759   4.287
  341   1HB   GLU  45           HB2      GLU  45  -4.288  -1.830   5.041
  342   2HB   GLU  45           HB1      GLU  45  -5.406  -1.676   6.392
  343   1HG   GLU  45           HG2      GLU  45  -5.123  -4.115   6.862
  344   2HG   GLU  45           HG1      GLU  45  -3.937  -4.204   5.562
  345    H    LYS  46           HN       LYS  46  -7.949  -1.116   5.300
  346    HA   LYS  46           HA       LYS  46  -9.242  -2.598   7.446
  347   1HB   LYS  46           HB2      LYS  46 -10.204  -0.139   5.961
  348   2HB   LYS  46           HB1      LYS  46 -10.808  -0.719   7.508
  349   1HG   LYS  46           HG2      LYS  46  -7.992  -0.553   7.783
  350   2HG   LYS  46           HG1      LYS  46  -8.485   0.922   6.965
  351   1HD   LYS  46           HD2      LYS  46  -8.607   1.293   9.373
  352   2HD   LYS  46           HD1      LYS  46 -10.240   1.267   8.720
  353   1HE   LYS  46           HE2      LYS  46 -10.794  -0.563   9.939
  354   2HE   LYS  46           HE1      LYS  46  -9.327  -1.412   9.471
  355   1HZ   LYS  46           HZ2      LYS  46  -9.355   0.734  11.507
  356   2HZ   LYS  46           HZ1      LYS  46  -9.573  -0.906  11.892
  357   3HZ   LYS  46           HZ3      LYS  46  -8.119  -0.386  11.186
  358    H    HIS  47           HN       HIS  47  -9.139  -3.749   4.675
  359    HA   HIS  47           HA       HIS  47 -12.021  -4.456   4.532
  360   1HB   HIS  47           HB2      HIS  47 -11.397  -2.594   2.864
  361   2HB   HIS  47           HB1      HIS  47 -10.471  -3.832   2.020
  362    HD1  HIS  47           HD1      HIS  47 -13.930  -2.955   2.832
  363    HD2  HIS  47           HD2      HIS  47 -11.981  -5.812   0.710
  364    HE1  HIS  47           HE1      HIS  47 -15.664  -4.078   1.559
  365    H    LEU  48           HN       LEU  48  -8.779  -5.071   3.225
  366    HA   LEU  48           HA       LEU  48  -9.255  -7.663   2.201
  367   1HB   LEU  48           HB2      LEU  48  -6.858  -6.185   3.177
  368   2HB   LEU  48           HB1      LEU  48  -6.700  -7.925   2.971
  369    HG   LEU  48           HG       LEU  48  -7.858  -6.131   0.814
  370   1HD1  LEU  48          HD12      LEU  48  -5.532  -5.425   1.384
  371   2HD1  LEU  48          HD11      LEU  48  -4.986  -7.077   1.115
  372   3HD1  LEU  48          HD13      LEU  48  -5.633  -6.134  -0.225
  373   1HD2  LEU  48          HD23      LEU  48  -7.640  -8.951   1.128
  374   2HD2  LEU  48          HD22      LEU  48  -8.123  -8.074  -0.319
  375   3HD2  LEU  48          HD21      LEU  48  -6.432  -8.492  -0.066
  376    H    ALA  49           HN       ALA  49  -7.247  -7.295   5.075
  377    HA   ALA  49           HA       ALA  49  -7.940  -9.858   6.125
  378   1HB   ALA  49           HB1      ALA  49  -5.905  -8.406   6.692
  379   2HB   ALA  49           HB3      ALA  49  -6.969  -7.536   7.792
  380   3HB   ALA  49           HB2      ALA  49  -6.662  -9.252   8.038
  381    H    LYS  50           HN       LYS  50  -8.373  -8.942   8.905
  382    HA   LYS  50           HA       LYS  50 -11.280  -8.941   8.819
  383   1HB   LYS  50           HB2      LYS  50 -10.337 -10.189  10.606
  384   2HB   LYS  50           HB1      LYS  50  -9.223  -8.902  11.027
  385   1HG   LYS  50           HG2      LYS  50 -11.116  -9.116  12.655
  386   2HG   LYS  50           HG1      LYS  50 -11.056  -7.530  11.910
  387   1HD   LYS  50           HD2      LYS  50 -13.371  -8.436  11.980
  388   2HD   LYS  50           HD1      LYS  50 -12.836  -8.196  10.326
  389   1HE   LYS  50           HE2      LYS  50 -12.621 -10.489   9.928
  390   2HE   LYS  50           HE1      LYS  50 -12.342 -10.857  11.624
  391   1HZ   LYS  50           HZ1      LYS  50 -14.863  -9.779  11.520
  392   2HZ   LYS  50           HZ3      LYS  50 -14.778 -10.811  10.174
  393   3HZ   LYS  50           HZ2      LYS  50 -14.461 -11.416  11.729
  394    H    ALA  51           HN       ALA  51 -12.424  -7.140   8.462
  395    HA   ALA  51           HA       ALA  51 -11.521  -4.522   8.322
  396   1HB   ALA  51           HB1      ALA  51 -14.211  -5.618   9.138
  397   2HB   ALA  51           HB3      ALA  51 -13.929  -3.888   8.981
  398   3HB   ALA  51           HB2      ALA  51 -13.735  -4.940   7.584
   
 Raw file had 398 H/Q atoms
  Start of MODEL   41
    1    OH   TYR   1           OH       TYR   1  29.822   0.620   2.510
    2   1H    TYR   1           HT1      TYR   1  25.485  -4.752   5.238
    3   2H    TYR   1           HT3      TYR   1  24.768  -3.754   4.066
    4   3H    TYR   1           HT2      TYR   1  26.457  -3.789   4.232
    5    HA   TYR   1           HA       TYR   1  26.428  -2.637   6.235
    6   1HB   TYR   1           HB2      TYR   1  24.378  -1.570   4.297
    7   2HB   TYR   1           HB1      TYR   1  24.791  -0.692   5.767
    8    HD1  TYR   1           HD1      TYR   1  26.405  -2.334   2.815
    9    HD2  TYR   1           HD2      TYR   1  26.670   0.725   5.758
   10    HE1  TYR   1           HE1      TYR   1  28.420  -1.460   1.726
   11    HE2  TYR   1           HE2      TYR   1  28.684   1.599   4.669
   12    HH   TYR   1           HH       TYR   1  29.874   1.561   2.694
   13    H    ALA   2           HN       ALA   2  25.718  -2.889   8.247
   14    HA   ALA   2           HA       ALA   2  22.990  -3.962   8.680
   15   1HB   ALA   2           HB2      ALA   2  25.052  -4.950   9.790
   16   2HB   ALA   2           HB1      ALA   2  25.135  -3.480  10.756
   17   3HB   ALA   2           HB3      ALA   2  23.735  -4.540  10.885
   18    H    SER   3           HN       SER   3  22.562  -1.533   7.844
   19    HA   SER   3           HA       SER   3  22.604   0.393  10.076
   20   1HB   SER   3           HB2      SER   3  21.045   1.306   7.829
   21   2HB   SER   3           HB1      SER   3  22.632   1.886   8.370
   22    HG   SER   3           HG1      SER   3  22.028   0.223   6.331
   23    H    LEU   4           HN       LEU   4  20.606   1.501  10.727
   24    HA   LEU   4           HA       LEU   4  18.521  -0.413  11.352
   25   1HB   LEU   4           HB2      LEU   4  19.249   2.291  12.126
   26   2HB   LEU   4           HB1      LEU   4  17.513   2.147  11.876
   27    HG   LEU   4           HG       LEU   4  19.137   0.202  13.551
   28   1HD1  LEU   4          HD11      LEU   4  17.422   2.565  14.398
   29   2HD1  LEU   4          HD13      LEU   4  18.119   1.378  15.495
   30   3HD1  LEU   4          HD12      LEU   4  19.170   2.447  14.571
   31   1HD2  LEU   4          HD22      LEU   4  16.518   0.109  12.456
   32   2HD2  LEU   4          HD21      LEU   4  17.217  -0.987  13.643
   33   3HD2  LEU   4          HD23      LEU   4  16.325   0.435  14.175
   34    H    GLU   5           HN       GLU   5  19.161   1.432   8.635
   35    HA   GLU   5           HA       GLU   5  16.523   2.224   7.837
   36   1HB   GLU   5           HB2      GLU   5  18.914   1.498   6.121
   37   2HB   GLU   5           HB1      GLU   5  17.486   2.366   5.566
   38   1HG   GLU   5           HG2      GLU   5  17.946   4.212   7.079
   39   2HG   GLU   5           HG1      GLU   5  19.260   3.319   7.838
   40    H    GLU   6           HN       GLU   6  18.377  -0.739   7.365
   41    HA   GLU   6           HA       GLU   6  16.395  -1.986   5.653
   42   1HB   GLU   6           HB2      GLU   6  18.774  -2.674   5.662
   43   2HB   GLU   6           HB1      GLU   6  18.587  -3.258   7.312
   44   1HG   GLU   6           HG2      GLU   6  17.100  -4.988   6.651
   45   2HG   GLU   6           HG1      GLU   6  16.782  -4.234   5.092
   46    H    GLN   7           HN       GLN   7  14.397  -2.307   6.447
   47    HA   GLN   7           HA       GLN   7  14.075  -4.109   8.736
   48   1HB   GLN   7           HB2      GLN   7  14.163  -1.425   9.329
   49   2HB   GLN   7           HB1      GLN   7  12.436  -1.700   9.126
   50   1HG   GLN   7           HG2      GLN   7  12.723  -3.742  10.648
   51   2HG   GLN   7           HG1      GLN   7  14.330  -3.121  11.018
   52   1HE2  GLN   7          HE22      GLN   7  12.322  -1.616  13.649
   53   2HE2  GLN   7          HE21      GLN   7  13.081  -3.085  13.266
   54    H    ASN   8           HN       ASN   8  12.511  -5.465   8.146
   55    HA   ASN   8           HA       ASN   8  10.699  -4.804   5.954
   56   1HB   ASN   8           HB2      ASN   8  10.418  -7.048   5.808
   57   2HB   ASN   8           HB1      ASN   8  11.727  -7.154   6.983
   58   1HD2  ASN   8          HD22      ASN   8   8.013  -8.270   8.055
   59   2HD2  ASN   8          HD21      ASN   8   8.431  -7.889   6.454
   60    H    ASN   9           HN       ASN   9  10.666  -3.776   8.991
   61    HA   ASN   9           HA       ASN   9   8.158  -4.400  10.109
   62   1HB   ASN   9           HB2      ASN   9   9.853  -1.908  10.191
   63   2HB   ASN   9           HB1      ASN   9   8.310  -1.985  11.039
   64   1HD2  ASN   9          HD22      ASN   9  10.189  -3.317  13.734
   65   2HD2  ASN   9          HD21      ASN   9   9.325  -1.977  13.153
   66    H    ASP  10           HN       ASP  10   6.569  -2.253  10.338
   67    HA   ASP  10           HA       ASP  10   4.862  -2.294   8.153
   68   1HB   ASP  10           HB2      ASP  10   5.243   0.315   9.578
   69   2HB   ASP  10           HB1      ASP  10   3.747  -0.496   9.121
   70    H    ALA  11           HN       ALA  11   4.668  -1.223   6.221
   71    HA   ALA  11           HA       ALA  11   6.283   1.056   5.490
   72   1HB   ALA  11           HB3      ALA  11   7.908  -0.970   5.498
   73   2HB   ALA  11           HB2      ALA  11   7.066  -1.457   4.031
   74   3HB   ALA  11           HB1      ALA  11   7.909   0.087   4.089
   75    H    LEU  12           HN       LEU  12   6.087   1.508   3.093
   76    HA   LEU  12           HA       LEU  12   3.365   1.410   2.296
   77   1HB   LEU  12           HB2      LEU  12   5.828   1.783   0.572
   78   2HB   LEU  12           HB1      LEU  12   4.181   2.171   0.083
   79    HG   LEU  12           HG       LEU  12   5.109   3.329   2.669
   80   1HD1  LEU  12          HD13      LEU  12   6.124   4.202  -0.053
   81   2HD1  LEU  12          HD12      LEU  12   6.168   5.235   1.371
   82   3HD1  LEU  12          HD11      LEU  12   7.091   3.737   1.343
   83   1HD2  LEU  12          HD22      LEU  12   2.836   3.638   1.478
   84   2HD2  LEU  12          HD21      LEU  12   3.647   5.098   2.033
   85   3HD2  LEU  12          HD23      LEU  12   3.713   4.647   0.333
   86    H    SER  13           HN       SER  13   3.450   0.610  -0.392
   87    HA   SER  13           HA       SER  13   4.115  -2.271  -0.320
   88   1HB   SER  13           HB2      SER  13   1.718  -1.872   0.480
   89   2HB   SER  13           HB1      SER  13   1.371  -1.375  -1.187
   90    HG   SER  13           HG1      SER  13   1.133  -3.662  -0.832
   91    HA   PRO  14           HA       PRO  14   5.243  -0.467  -4.394
   92   1HB   PRO  14           HB2      PRO  14   6.662  -2.908  -5.000
   93   2HB   PRO  14           HB1      PRO  14   7.324  -1.299  -4.712
   94   1HG   PRO  14           HG2      PRO  14   7.480  -3.554  -2.951
   95   2HG   PRO  14           HG1      PRO  14   7.995  -1.903  -2.599
   96   1HD   PRO  14           HD1      PRO  14   5.656  -3.332  -1.603
   97   2HD   PRO  14           HD2      PRO  14   6.268  -1.744  -1.099
   98    H    ALA  15           HN       ALA  15   3.463  -3.145  -3.439
   99    HA   ALA  15           HA       ALA  15   2.753  -3.929  -6.217
  100   1HB   ALA  15           HB2      ALA  15   2.703  -5.233  -3.597
  101   2HB   ALA  15           HB1      ALA  15   1.206  -5.458  -4.497
  102   3HB   ALA  15           HB3      ALA  15   2.741  -5.953  -5.204
  103    H    ILE  16           HN       ILE  16   1.845  -1.685  -4.009
  104    HA   ILE  16           HA       ILE  16  -0.920  -1.718  -3.746
  105    HB   ILE  16           HB       ILE  16   0.712   0.071  -2.929
  106   1HG1  ILE  16          HG12      ILE  16  -1.839   0.996  -4.298
  107   2HG1  ILE  16          HG11      ILE  16  -1.766   0.244  -2.709
  108   1HG2  ILE  16          HG23      ILE  16   1.548   0.418  -5.357
  109   2HG2  ILE  16          HG22      ILE  16   0.094   1.385  -5.577
  110   3HG2  ILE  16          HG21      ILE  16   1.290   1.857  -4.375
  111   1HD1  ILE  16           HD3      ILE  16  -0.102   2.120  -2.092
  112   2HD1  ILE  16           HD2      ILE  16  -0.649   2.924  -3.559
  113   3HD1  ILE  16           HD1      ILE  16  -1.792   2.585  -2.263
  114    NH1  ARG  17           NH2      ARG  17   2.258  -1.634 -11.690
  115    NH2  ARG  17           NH1      ARG  17   3.047   0.011 -13.067
  116    H    ARG  17           HN       ARG  17   0.881  -1.553  -6.635
  117    HA   ARG  17           HA       ARG  17  -1.188  -0.271  -8.247
  118   1HB   ARG  17           HB2      ARG  17   1.199  -1.917  -9.120
  119   2HB   ARG  17           HB1      ARG  17   0.238  -0.859 -10.147
  120   1HG   ARG  17           HG2      ARG  17   0.895   1.090  -8.821
  121   2HG   ARG  17           HG1      ARG  17   1.762   0.061  -7.687
  122   1HD   ARG  17           HD2      ARG  17   3.356   1.039  -9.273
  123   2HD   ARG  17           HD1      ARG  17   3.240  -0.695  -9.565
  124    HE   ARG  17           HE       ARG  17   1.825   1.342 -11.241
  125   1HH1  ARG  17          HH21      ARG  17   1.864  -1.899 -10.811
  126   2HH1  ARG  17          HH22      ARG  17   2.440  -2.330 -12.385
  127   1HH2  ARG  17          HH11      ARG  17   3.245   0.979 -13.217
  128   2HH2  ARG  17          HH12      ARG  17   3.243  -0.658 -13.784
  129    NH1  ARG  18           NH1      ARG  18   2.582  -4.568 -12.811
  130    NH2  ARG  18           NH2      ARG  18   3.171  -6.722 -13.297
  131    H    ARG  18           HN       ARG  18   0.032  -3.596  -7.918
  132    HA   ARG  18           HA       ARG  18  -2.318  -4.574  -9.447
  133   1HB   ARG  18           HB2      ARG  18   0.285  -5.809  -8.580
  134   2HB   ARG  18           HB1      ARG  18  -1.055  -6.819  -9.113
  135   1HG   ARG  18           HG2      ARG  18  -1.147  -5.627 -11.252
  136   2HG   ARG  18           HG1      ARG  18   0.111  -4.519 -10.718
  137   1HD   ARG  18           HD2      ARG  18   1.706  -6.389 -10.533
  138   2HD   ARG  18           HD1      ARG  18   0.446  -7.526 -11.011
  139    HE   ARG  18           HE       ARG  18   0.413  -6.366 -13.233
  140   1HH1  ARG  18          HH11      ARG  18   1.889  -3.921 -12.494
  141   2HH1  ARG  18          HH12      ARG  18   3.492  -4.242 -13.066
  142   1HH2  ARG  18          HH21      ARG  18   2.919  -7.689 -13.344
  143   2HH2  ARG  18          HH22      ARG  18   4.090  -6.432 -13.560
  144    H    LEU  19           HN       LEU  19  -1.848  -3.727  -6.387
  145    HA   LEU  19           HA       LEU  19  -2.768  -6.092  -4.968
  146   1HB   LEU  19           HB2      LEU  19  -1.486  -3.963  -4.092
  147   2HB   LEU  19           HB1      LEU  19  -3.110  -3.321  -3.878
  148    HG   LEU  19           HG       LEU  19  -3.513  -5.717  -2.766
  149   1HD1  LEU  19          HD12      LEU  19  -0.965  -6.139  -3.374
  150   2HD1  LEU  19          HD11      LEU  19  -0.685  -5.240  -1.886
  151   3HD1  LEU  19          HD13      LEU  19  -1.622  -6.730  -1.851
  152   1HD2  LEU  19          HD23      LEU  19  -2.119  -3.364  -1.450
  153   2HD2  LEU  19          HD22      LEU  19  -3.857  -3.593  -1.611
  154   3HD2  LEU  19          HD21      LEU  19  -2.922  -4.661  -0.569
  155    H    LEU  20           HN       LEU  20  -4.285  -3.790  -6.920
  156    HA   LEU  20           HA       LEU  20  -6.914  -4.105  -5.580
  157   1HB   LEU  20           HB2      LEU  20  -5.834  -2.322  -7.736
  158   2HB   LEU  20           HB1      LEU  20  -7.572  -2.574  -7.617
  159    HG   LEU  20           HG       LEU  20  -6.066  -1.937  -5.106
  160   1HD1  LEU  20          HD13      LEU  20  -6.575  -0.066  -7.411
  161   2HD1  LEU  20          HD12      LEU  20  -6.654   0.544  -5.762
  162   3HD1  LEU  20          HD11      LEU  20  -5.163  -0.171  -6.364
  163   1HD2  LEU  20          HD21      LEU  20  -8.605  -2.477  -5.418
  164   2HD2  LEU  20          HD23      LEU  20  -8.161  -1.105  -4.408
  165   3HD2  LEU  20          HD22      LEU  20  -8.710  -0.842  -6.060
  166    H    ALA  21           HN       ALA  21  -5.157  -5.142  -8.405
  167    HA   ALA  21           HA       ALA  21  -7.585  -6.397  -9.556
  168   1HB   ALA  21           HB1      ALA  21  -5.695  -5.155 -10.878
  169   2HB   ALA  21           HB3      ALA  21  -4.826  -6.677 -10.710
  170   3HB   ALA  21           HB2      ALA  21  -6.375  -6.636 -11.544
  171    H    GLU  22           HN       GLU  22  -4.428  -7.288  -8.237
  172    HA   GLU  22           HA       GLU  22  -4.420 -10.042  -8.682
  173   1HB   GLU  22           HB2      GLU  22  -2.515  -9.134  -7.615
  174   2HB   GLU  22           HB1      GLU  22  -3.475  -8.397  -6.339
  175   1HG   GLU  22           HG2      GLU  22  -2.189 -10.566  -5.746
  176   2HG   GLU  22           HG1      GLU  22  -3.886 -10.492  -5.282
  177    H    HIS  23           HN       HIS  23  -6.064  -8.280  -6.084
  178    HA   HIS  23           HA       HIS  23  -7.385 -10.803  -5.230
  179   1HB   HIS  23           HB2      HIS  23  -7.497  -8.050  -3.972
  180   2HB   HIS  23           HB1      HIS  23  -8.079  -9.550  -3.257
  181    HD1  HIS  23           HD1      HIS  23  -6.077 -11.326  -2.948
  182    HD2  HIS  23           HD2      HIS  23  -4.871  -7.488  -3.451
  183    HE1  HIS  23           HE1      HIS  23  -3.780 -11.285  -2.163
  184    H    ASN  24           HN       ASN  24  -7.934  -8.633  -7.535
  185    HA   ASN  24           HA       ASN  24  -9.856  -7.824  -8.627
  186   1HB   ASN  24           HB2      ASN  24 -11.293 -10.119  -7.295
  187   2HB   ASN  24           HB1      ASN  24 -11.587  -9.424  -8.886
  188   1HD2  ASN  24          HD22      ASN  24  -9.168 -11.420 -10.487
  189   2HD2  ASN  24          HD21      ASN  24 -10.374 -10.235 -10.642
  190    H    LEU  25           HN       LEU  25  -9.750  -6.010  -7.025
  191    HA   LEU  25           HA       LEU  25 -12.337  -5.871  -5.563
  192   1HB   LEU  25           HB2      LEU  25  -9.603  -5.603  -4.402
  193   2HB   LEU  25           HB1      LEU  25 -10.847  -4.509  -3.809
  194    HG   LEU  25           HG       LEU  25 -11.441  -7.453  -4.040
  195   1HD1  LEU  25          HD11      LEU  25  -9.807  -6.045  -1.922
  196   2HD1  LEU  25          HD13      LEU  25 -10.743  -7.487  -1.539
  197   3HD1  LEU  25          HD12      LEU  25  -9.458  -7.565  -2.741
  198   1HD2  LEU  25          HD21      LEU  25 -12.997  -5.335  -3.380
  199   2HD2  LEU  25          HD23      LEU  25 -13.237  -6.937  -2.692
  200   3HD2  LEU  25          HD22      LEU  25 -12.342  -5.719  -1.791
  201    H    ASP  26           HN       ASP  26 -13.376  -4.015  -5.968
  202    HA   ASP  26           HA       ASP  26 -12.070  -1.992  -7.637
  203   1HB   ASP  26           HB2      ASP  26 -14.751  -2.823  -7.096
  204   2HB   ASP  26           HB1      ASP  26 -14.625  -1.103  -6.735
  205    H    ALA  27           HN       ALA  27 -11.657   0.142  -7.070
  206    HA   ALA  27           HA       ALA  27 -11.137   0.579  -4.216
  207   1HB   ALA  27           HB2      ALA  27 -10.066   1.544  -6.649
  208   2HB   ALA  27           HB1      ALA  27 -10.747   2.940  -5.819
  209   3HB   ALA  27           HB3      ALA  27  -9.537   1.942  -5.017
  210    H    SER  28           HN       SER  28 -13.510   1.495  -6.571
  211    HA   SER  28           HA       SER  28 -14.581   3.839  -5.444
  212   1HB   SER  28           HB2      SER  28 -16.403   1.686  -6.508
  213   2HB   SER  28           HB1      SER  28 -16.476   3.439  -6.768
  214    HG   SER  28           HG1      SER  28 -14.073   2.464  -7.490
  215    H    ALA  29           HN       ALA  29 -15.066   0.477  -4.514
  216    HA   ALA  29           HA       ALA  29 -17.129   1.014  -2.567
  217   1HB   ALA  29           HB1      ALA  29 -15.288  -1.296  -3.120
  218   2HB   ALA  29           HB3      ALA  29 -16.274  -1.285  -1.662
  219   3HB   ALA  29           HB2      ALA  29 -17.043  -1.226  -3.245
  220    H    ILE  30           HN       ILE  30 -13.628   0.977  -2.483
  221    HA   ILE  30           HA       ILE  30 -13.497   1.157   0.430
  222    HB   ILE  30           HB       ILE  30 -11.321   1.807  -1.577
  223   1HG1  ILE  30          HG12      ILE  30 -12.152  -0.399  -2.128
  224   2HG1  ILE  30          HG11      ILE  30 -10.645  -0.611  -1.250
  225   1HG2  ILE  30          HG21      ILE  30 -11.457   1.683   1.333
  226   2HG2  ILE  30          HG23      ILE  30 -10.266   0.549   0.711
  227   3HG2  ILE  30          HG22      ILE  30 -10.151   2.256   0.307
  228   1HD1  ILE  30           HD2      ILE  30 -12.197  -0.749   0.866
  229   2HD1  ILE  30           HD1      ILE  30 -13.471  -1.077  -0.301
  230   3HD1  ILE  30           HD3      ILE  30 -12.079  -2.149  -0.191
  231    H    LYS  31           HN       LYS  31 -12.656   3.015   1.577
  232    HA   LYS  31           HA       LYS  31 -13.020   5.619   0.158
  233   1HB   LYS  31           HB2      LYS  31 -14.123   4.953   2.899
  234   2HB   LYS  31           HB1      LYS  31 -14.263   6.502   2.075
  235   1HG   LYS  31           HG2      LYS  31 -15.231   4.819   0.154
  236   2HG   LYS  31           HG1      LYS  31 -15.743   3.975   1.612
  237   1HD   LYS  31           HD2      LYS  31 -16.322   6.871   0.903
  238   2HD   LYS  31           HD1      LYS  31 -17.488   5.554   0.963
  239   1HE   LYS  31           HE2      LYS  31 -16.393   5.360   3.454
  240   2HE   LYS  31           HE1      LYS  31 -16.260   7.094   3.181
  241   1HZ   LYS  31           HZ3      LYS  31 -18.788   6.230   2.328
  242   2HZ   LYS  31           HZ2      LYS  31 -18.520   5.641   3.897
  243   3HZ   LYS  31           HZ1      LYS  31 -18.403   7.306   3.583
  244    H    GLY  32           HN       GLY  32 -11.211   6.763   0.351
  245   1HA   GLY  32           HA2      GLY  32  -9.179   6.073   2.314
  246   2HA   GLY  32           HA1      GLY  32  -9.086   7.398   1.158
  247    H    THR  33           HN       THR  33  -8.149   7.932   3.596
  248    HA   THR  33           HA       THR  33 -10.139   9.872   4.622
  249    HB   THR  33           HB       THR  33  -9.914   9.126   6.947
  250    HG1  THR  33           HG1      THR  33  -8.531   6.924   6.670
  251   1HG2  THR  33          HG22      THR  33 -11.456   7.724   5.430
  252   2HG2  THR  33          HG21      THR  33 -10.115   6.591   5.284
  253   3HG2  THR  33          HG23      THR  33 -10.846   6.894   6.857
  254    H    GLY  34           HN       GLY  34  -7.264   9.482   3.369
  255   1HA   GLY  34           HA2      GLY  34  -5.281  10.494   5.038
  256   2HA   GLY  34           HA1      GLY  34  -5.379  10.896   3.326
  257    H    VAL  35           HN       VAL  35  -4.395  12.726   5.148
  258    HA   VAL  35           HA       VAL  35  -6.207  14.539   6.305
  259    HB   VAL  35           HB       VAL  35  -3.504  14.919   5.029
  260   1HG1  VAL  35          HG13      VAL  35  -5.436  16.977   6.078
  261   2HG1  VAL  35          HG12      VAL  35  -3.705  17.220   6.287
  262   3HG1  VAL  35          HG11      VAL  35  -4.383  17.067   4.670
  263   1HG2  VAL  35          HG22      VAL  35  -3.791  13.743   7.249
  264   2HG2  VAL  35          HG21      VAL  35  -2.804  15.198   7.338
  265   3HG2  VAL  35          HG23      VAL  35  -4.476  15.234   7.888
  266    H    GLY  36           HN       GLY  36  -5.214  14.191   2.956
  267   1HA   GLY  36           HA2      GLY  36  -6.976  16.466   2.185
  268   2HA   GLY  36           HA1      GLY  36  -5.764  15.724   1.146
  269    H    GLY  37           HN       GLY  37  -7.348  13.308   2.761
  270   1HA   GLY  37           HA2      GLY  37  -9.204  11.931   2.221
  271   2HA   GLY  37           HA1      GLY  37  -9.706  13.132   1.035
  272    NH1  ARG  38           NH2      ARG  38  -2.300  10.616   1.286
  273    NH2  ARG  38           NH1      ARG  38  -1.770  12.813   1.618
  274    H    ARG  38           HN       ARG  38  -6.452  11.932   1.050
  275    HA   ARG  38           HA       ARG  38  -6.777  10.925  -1.675
  276   1HB   ARG  38           HB2      ARG  38  -4.309  10.413  -0.065
  277   2HB   ARG  38           HB1      ARG  38  -4.462  10.864  -1.760
  278   1HG   ARG  38           HG2      ARG  38  -5.439  13.102  -0.832
  279   2HG   ARG  38           HG1      ARG  38  -4.684  12.618   0.683
  280   1HD   ARG  38           HD2      ARG  38  -3.303  13.006  -1.993
  281   2HD   ARG  38           HD1      ARG  38  -3.085  13.979  -0.538
  282    HE   ARG  38           HE       ARG  38  -1.647  11.605  -1.089
  283   1HH1  ARG  38          HH21      ARG  38  -2.552   9.881   0.656
  284   2HH1  ARG  38          HH22      ARG  38  -2.199  10.424   2.263
  285   1HH2  ARG  38          HH11      ARG  38  -1.626  13.726   1.236
  286   2HH2  ARG  38          HH12      ARG  38  -1.662  12.660   2.600
  287    H    LEU  39           HN       LEU  39  -6.571   8.786  -2.354
  288    HA   LEU  39           HA       LEU  39  -7.423   6.794  -0.383
  289   1HB   LEU  39           HB2      LEU  39  -8.364   6.845  -2.688
  290   2HB   LEU  39           HB1      LEU  39  -6.770   6.468  -3.327
  291    HG   LEU  39           HG       LEU  39  -6.765   4.340  -2.022
  292   1HD1  LEU  39          HD11      LEU  39  -9.354   5.500  -1.057
  293   2HD1  LEU  39          HD13      LEU  39  -9.262   3.755  -1.265
  294   3HD1  LEU  39          HD12      LEU  39  -8.149   4.571  -0.171
  295   1HD2  LEU  39          HD21      LEU  39  -7.729   4.585  -4.391
  296   2HD2  LEU  39          HD23      LEU  39  -8.241   3.165  -3.485
  297   3HD2  LEU  39          HD22      LEU  39  -9.318   4.550  -3.632
  298    H    THR  40           HN       THR  40  -5.771   6.265   0.981
  299    HA   THR  40           HA       THR  40  -3.121   5.601  -0.181
  300    HB   THR  40           HB       THR  40  -2.334   5.599   2.172
  301    HG1  THR  40           HG1      THR  40  -4.322   4.644   2.913
  302   1HG2  THR  40          HG21      THR  40  -3.138   7.860   0.902
  303   2HG2  THR  40          HG23      THR  40  -4.285   7.864   2.238
  304   3HG2  THR  40          HG22      THR  40  -2.554   7.882   2.562
  305    NH1  ARG  41           NH1      ARG  41   0.049  -1.944   4.606
  306    NH2  ARG  41           NH2      ARG  41  -0.701  -0.037   5.616
  307    H    ARG  41           HN       ARG  41  -2.121   3.688   1.341
  308    HA   ARG  41           HA       ARG  41  -3.699   1.333   0.559
  309   1HB   ARG  41           HB2      ARG  41  -1.203   1.497   0.245
  310   2HB   ARG  41           HB1      ARG  41  -1.036   1.430   1.995
  311   1HG   ARG  41           HG2      ARG  41  -2.781  -0.691   1.283
  312   2HG   ARG  41           HG1      ARG  41  -1.444  -0.745   0.139
  313   1HD   ARG  41           HD2      ARG  41  -0.880  -2.066   2.134
  314   2HD   ARG  41           HD1      ARG  41   0.157  -0.644   2.057
  315    HE   ARG  41           HE       ARG  41  -2.193  -0.055   3.606
  316   1HH1  ARG  41          HH11      ARG  41   0.056  -2.543   3.804
  317   2HH1  ARG  41          HH12      ARG  41   0.587  -2.185   5.414
  318   1HH2  ARG  41          HH21      ARG  41  -1.255   0.794   5.573
  319   2HH2  ARG  41          HH22      ARG  41  -0.175  -0.244   6.441
  320    H    GLU  42           HN       GLU  42  -3.045   3.171   3.399
  321    HA   GLU  42           HA       GLU  42  -3.546   1.151   5.373
  322   1HB   GLU  42           HB2      GLU  42  -4.063   4.127   5.578
  323   2HB   GLU  42           HB1      GLU  42  -3.858   3.008   6.920
  324   1HG   GLU  42           HG2      GLU  42  -1.557   2.515   6.180
  325   2HG   GLU  42           HG1      GLU  42  -1.760   3.594   4.802
  326    H    ASP  43           HN       ASP  43  -5.549   2.009   3.006
  327    HA   ASP  43           HA       ASP  43  -8.004   1.719   4.704
  328   1HB   ASP  43           HB2      ASP  43  -7.407   3.456   2.353
  329   2HB   ASP  43           HB1      ASP  43  -9.040   2.809   2.502
  330    H    VAL  44           HN       VAL  44  -6.207   0.622   1.952
  331    HA   VAL  44           HA       VAL  44  -8.422  -1.181   1.124
  332    HB   VAL  44           HB       VAL  44  -5.724  -0.997  -0.205
  333   1HG1  VAL  44          HG11      VAL  44  -7.773  -2.662  -0.687
  334   2HG1  VAL  44          HG13      VAL  44  -8.351  -1.279  -1.610
  335   3HG1  VAL  44          HG12      VAL  44  -6.794  -2.007  -1.995
  336   1HG2  VAL  44          HG23      VAL  44  -8.071   0.908  -0.363
  337   2HG2  VAL  44          HG22      VAL  44  -6.371   1.297  -0.123
  338   3HG2  VAL  44          HG21      VAL  44  -6.932   0.735  -1.695
  339    H    GLU  45           HN       GLU  45  -5.594  -1.187   3.010
  340    HA   GLU  45           HA       GLU  45  -4.941  -4.011   2.623
  341   1HB   GLU  45           HB2      GLU  45  -3.583  -1.843   3.650
  342   2HB   GLU  45           HB1      GLU  45  -3.985  -2.759   5.097
  343   1HG   GLU  45           HG2      GLU  45  -2.584  -3.847   2.627
  344   2HG   GLU  45           HG1      GLU  45  -1.835  -3.538   4.192
  345    H    LYS  46           HN       LYS  46  -6.618  -2.080   5.065
  346    HA   LYS  46           HA       LYS  46  -7.175  -4.421   6.731
  347   1HB   LYS  46           HB2      LYS  46  -6.941  -1.931   7.466
  348   2HB   LYS  46           HB1      LYS  46  -8.618  -1.794   6.951
  349   1HG   LYS  46           HG2      LYS  46  -8.772  -4.079   8.412
  350   2HG   LYS  46           HG1      LYS  46  -7.458  -3.277   9.260
  351   1HD   LYS  46           HD2      LYS  46 -10.166  -2.026   8.671
  352   2HD   LYS  46           HD1      LYS  46  -9.678  -2.691  10.225
  353   1HE   LYS  46           HE2      LYS  46  -8.382  -0.357   8.779
  354   2HE   LYS  46           HE1      LYS  46  -9.326  -0.278  10.260
  355   1HZ   LYS  46           HZ1      LYS  46  -7.337  -2.148  10.696
  356   2HZ   LYS  46           HZ3      LYS  46  -6.582  -0.829   9.937
  357   3HZ   LYS  46           HZ2      LYS  46  -7.464  -0.593  11.369
  358    H    HIS  47           HN       HIS  47  -8.386  -3.396   3.849
  359    HA   HIS  47           HA       HIS  47 -11.193  -4.161   4.444
  360   1HB   HIS  47           HB2      HIS  47 -10.658  -2.128   3.048
  361   2HB   HIS  47           HB1      HIS  47 -10.033  -3.220   1.814
  362    HD1  HIS  47           HD1      HIS  47 -13.142  -1.969   3.126
  363    HD2  HIS  47           HD2      HIS  47 -12.016  -5.018   0.695
  364    HE1  HIS  47           HE1      HIS  47 -15.191  -2.693   2.043
  365    H    LEU  48           HN       LEU  48  -8.363  -5.267   2.696
  366    HA   LEU  48           HA       LEU  48  -9.380  -7.211   1.000
  367   1HB   LEU  48           HB2      LEU  48  -6.914  -7.054   2.674
  368   2HB   LEU  48           HB1      LEU  48  -7.292  -8.600   1.925
  369    HG   LEU  48           HG       LEU  48  -7.455  -6.118   0.242
  370   1HD1  LEU  48          HD11      LEU  48  -4.970  -7.387   1.352
  371   2HD1  LEU  48          HD13      LEU  48  -4.947  -6.789  -0.303
  372   3HD1  LEU  48          HD12      LEU  48  -5.299  -5.690   1.024
  373   1HD2  LEU  48          HD21      LEU  48  -8.118  -8.469  -0.512
  374   2HD2  LEU  48          HD23      LEU  48  -6.920  -7.670  -1.524
  375   3HD2  LEU  48          HD22      LEU  48  -6.418  -8.902  -0.373
  376    H    ALA  49           HN       ALA  49 -10.847  -8.750   1.324
  377    HA   ALA  49           HA       ALA  49 -10.582 -10.708   3.432
  378   1HB   ALA  49           HB1      ALA  49 -12.717  -8.584   3.710
  379   2HB   ALA  49           HB3      ALA  49 -12.805 -10.139   4.530
  380   3HB   ALA  49           HB2      ALA  49 -11.485  -9.030   4.886
  381    H    LYS  50           HN       LYS  50 -10.918 -12.318   1.982
  382    HA   LYS  50           HA       LYS  50 -12.582 -12.390  -0.243
  383   1HB   LYS  50           HB2      LYS  50 -12.232 -14.728   1.644
  384   2HB   LYS  50           HB1      LYS  50 -12.543 -14.793  -0.086
  385   1HG   LYS  50           HG2      LYS  50 -10.278 -14.935  -0.295
  386   2HG   LYS  50           HG1      LYS  50 -10.296 -13.203   0.008
  387   1HD   LYS  50           HD2      LYS  50  -8.771 -13.979   1.621
  388   2HD   LYS  50           HD1      LYS  50 -10.268 -13.898   2.541
  389   1HE   LYS  50           HE2      LYS  50 -10.581 -16.380   1.700
  390   2HE   LYS  50           HE1      LYS  50  -8.841 -16.312   1.450
  391   1HZ   LYS  50           HZ3      LYS  50  -9.071 -15.272   3.901
  392   2HZ   LYS  50           HZ2      LYS  50 -10.353 -16.384   3.908
  393   3HZ   LYS  50           HZ1      LYS  50  -8.772 -16.913   3.583
  394    H    ALA  51           HN       ALA  51 -13.527 -12.212   3.030
  395    HA   ALA  51           HA       ALA  51 -16.114 -13.469   2.820
  396   1HB   ALA  51           HB3      ALA  51 -15.082 -11.347   4.718
  397   2HB   ALA  51           HB2      ALA  51 -16.622 -12.181   4.905
  398   3HB   ALA  51           HB1      ALA  51 -15.113 -13.085   5.003
   
 Raw file had 398 H/Q atoms
  Start of MODEL   42
    1    OH   TYR   1           OH       TYR   1  17.818   8.356  12.714
    2   1H    TYR   1           HT1      TYR   1  18.300  10.470   6.516
    3   2H    TYR   1           HT3      TYR   1  18.871   9.670   7.901
    4   3H    TYR   1           HT2      TYR   1  17.822  10.997   8.058
    5    HA   TYR   1           HA       TYR   1  19.428  12.518   7.734
    6   1HB   TYR   1           HB2      TYR   1  21.499  10.451   8.271
    7   2HB   TYR   1           HB1      TYR   1  21.197  11.978   9.095
    8    HD1  TYR   1           HD2      TYR   1  18.784  12.061  10.300
    9    HD2  TYR   1           HD1      TYR   1  20.949   8.500   9.447
   10    HE1  TYR   1           HE2      TYR   1  17.527  10.880  12.041
   11    HE2  TYR   1           HE1      TYR   1  19.693   7.320  11.191
   12    HH   TYR   1           HH       TYR   1  18.318   8.414  13.531
   13    H    ALA   2           HN       ALA   2  18.784  11.304   5.236
   14    HA   ALA   2           HA       ALA   2  21.081  12.136   3.701
   15   1HB   ALA   2           HB3      ALA   2  20.574   9.187   4.050
   16   2HB   ALA   2           HB2      ALA   2  21.372   9.812   2.611
   17   3HB   ALA   2           HB1      ALA   2  22.095  10.061   4.196
   18    H    SER   3           HN       SER   3  19.583   9.494   2.259
   19    HA   SER   3           HA       SER   3  17.516  11.219   0.963
   20   1HB   SER   3           HB2      SER   3  19.292  11.056  -0.656
   21   2HB   SER   3           HB1      SER   3  19.450   9.311  -0.377
   22    HG   SER   3           HG1      SER   3  17.274   9.093  -1.051
   23    H    LEU   4           HN       LEU   4  18.300   7.941   0.145
   24    HA   LEU   4           HA       LEU   4  15.569   7.068   0.460
   25   1HB   LEU   4           HB2      LEU   4  18.132   5.497   0.106
   26   2HB   LEU   4           HB1      LEU   4  16.521   4.793   0.031
   27    HG   LEU   4           HG       LEU   4  16.876   7.197  -1.651
   28   1HD1  LEU   4          HD11      LEU   4  18.499   4.677  -2.057
   29   2HD1  LEU   4          HD13      LEU   4  18.031   5.693  -3.417
   30   3HD1  LEU   4          HD12      LEU   4  19.045   6.350  -2.136
   31   1HD2  LEU   4          HD22      LEU   4  14.877   5.656  -1.608
   32   2HD2  LEU   4          HD21      LEU   4  15.584   5.847  -3.209
   33   3HD2  LEU   4          HD23      LEU   4  15.902   4.390  -2.275
   34    H    GLU   5           HN       GLU   5  17.446   7.989   2.832
   35    HA   GLU   5           HA       GLU   5  17.061   5.650   4.611
   36   1HB   GLU   5           HB2      GLU   5  19.222   6.825   4.691
   37   2HB   GLU   5           HB1      GLU   5  18.398   8.322   5.119
   38   1HG   GLU   5           HG2      GLU   5  18.241   7.701   7.293
   39   2HG   GLU   5           HG1      GLU   5  17.587   6.124   6.859
   40    H    GLU   6           HN       GLU   6  16.622   9.139   5.149
   41    HA   GLU   6           HA       GLU   6  14.517   8.700   7.081
   42   1HB   GLU   6           HB2      GLU   6  16.111  10.873   6.224
   43   2HB   GLU   6           HB1      GLU   6  14.438  11.355   5.967
   44   1HG   GLU   6           HG2      GLU   6  13.897  10.706   8.300
   45   2HG   GLU   6           HG1      GLU   6  15.578  10.242   8.556
   46    H    GLN   7           HN       GLN   7  12.652   7.802   6.412
   47    HA   GLN   7           HA       GLN   7  11.448   8.733   3.846
   48   1HB   GLN   7           HB2      GLN   7  11.678   6.313   4.066
   49   2HB   GLN   7           HB1      GLN   7  10.810   6.345   5.597
   50   1HG   GLN   7           HG2      GLN   7   9.441   7.610   3.271
   51   2HG   GLN   7           HG1      GLN   7   9.573   5.854   3.244
   52   1HE2  GLN   7          HE22      GLN   7   6.538   6.077   5.129
   53   2HE2  GLN   7          HE21      GLN   7   7.164   5.856   3.566
   54    H    ASN   8           HN       ASN   8   9.261   9.399   3.776
   55    HA   ASN   8           HA       ASN   8   7.870   9.852   6.347
   56   1HB   ASN   8           HB2      ASN   8   8.790  12.066   4.503
   57   2HB   ASN   8           HB1      ASN   8   7.499  12.286   5.682
   58   1HD2  ASN   8          HD22      ASN   8  11.200  12.747   6.956
   59   2HD2  ASN   8          HD21      ASN   8  10.668  12.941   5.355
   60    H    ASN   9           HN       ASN   9   7.143  11.775   3.572
   61    HA   ASN   9           HA       ASN   9   5.043   9.867   2.684
   62   1HB   ASN   9           HB2      ASN   9   4.315  12.754   3.089
   63   2HB   ASN   9           HB1      ASN   9   3.258  11.347   3.002
   64   1HD2  ASN   9          HD22      ASN   9   4.269  10.307   6.406
   65   2HD2  ASN   9          HD21      ASN   9   4.214   9.605   4.862
   66    H    ASP  10           HN       ASP  10   7.142  10.104   1.169
   67    HA   ASP  10           HA       ASP  10   6.280  11.913  -1.047
   68   1HB   ASP  10           HB2      ASP  10   9.197  11.408  -0.587
   69   2HB   ASP  10           HB1      ASP  10   8.414  12.777  -1.372
   70    H    ALA  11           HN       ALA  11   6.200   8.927  -0.310
   71    HA   ALA  11           HA       ALA  11   6.641   7.956  -3.004
   72   1HB   ALA  11           HB2      ALA  11   8.809   7.737  -1.065
   73   2HB   ALA  11           HB1      ALA  11   8.310   6.165  -1.682
   74   3HB   ALA  11           HB3      ALA  11   8.826   7.426  -2.799
   75    H    LEU  12           HN       LEU  12   4.865   6.738  -3.171
   76    HA   LEU  12           HA       LEU  12   3.817   5.288  -0.832
   77   1HB   LEU  12           HB2      LEU  12   2.819   5.534  -3.680
   78   2HB   LEU  12           HB1      LEU  12   1.971   4.666  -2.406
   79    HG   LEU  12           HG       LEU  12   2.827   7.461  -1.799
   80   1HD1  LEU  12          HD11      LEU  12   0.479   6.768  -3.602
   81   2HD1  LEU  12          HD13      LEU  12   0.798   8.359  -2.918
   82   3HD1  LEU  12          HD12      LEU  12   1.916   7.663  -4.086
   83   1HD2  LEU  12          HD23      LEU  12   1.620   5.962  -0.186
   84   2HD2  LEU  12          HD22      LEU  12   0.728   7.436  -0.548
   85   3HD2  LEU  12          HD21      LEU  12   0.260   5.917  -1.303
   86    H    SER  13           HN       SER  13   2.722   3.045  -1.974
   87    HA   SER  13           HA       SER  13   5.099   1.357  -2.245
   88   1HB   SER  13           HB2      SER  13   2.331   0.999  -1.427
   89   2HB   SER  13           HB1      SER  13   2.884  -0.296  -2.507
   90    HG   SER  13           HG1      SER  13   4.487  -0.777  -1.152
   91    HA   PRO  14           HA       PRO  14   4.559   1.696  -6.764
   92   1HB   PRO  14           HB2      PRO  14   6.563  -0.313  -7.203
   93   2HB   PRO  14           HB1      PRO  14   6.688   1.425  -7.475
   94   1HG   PRO  14           HG2      PRO  14   7.928  -0.114  -5.368
   95   2HG   PRO  14           HG1      PRO  14   8.029   1.628  -5.623
   96   1HD   PRO  14           HD1      PRO  14   6.548   0.207  -3.582
   97   2HD   PRO  14           HD2      PRO  14   6.682   1.963  -3.809
   98    H    ALA  15           HN       ALA  15   4.279  -0.999  -4.699
   99    HA   ALA  15           HA       ALA  15   3.235  -2.765  -6.838
  100   1HB   ALA  15           HB3      ALA  15   4.468  -3.171  -4.281
  101   2HB   ALA  15           HB2      ALA  15   2.876  -3.922  -4.263
  102   3HB   ALA  15           HB1      ALA  15   4.048  -4.376  -5.494
  103    H    ILE  16           HN       ILE  16   2.050  -0.281  -5.128
  104    HA   ILE  16           HA       ILE  16  -0.422  -1.296  -4.075
  105    HB   ILE  16           HB       ILE  16   0.698   0.995  -3.656
  106   1HG1  ILE  16          HG12      ILE  16  -2.272   0.811  -4.266
  107   2HG1  ILE  16          HG11      ILE  16  -1.507   0.363  -2.746
  108   1HG2  ILE  16          HG21      ILE  16   0.618   1.361  -6.269
  109   2HG2  ILE  16          HG23      ILE  16  -1.021   1.914  -5.939
  110   3HG2  ILE  16          HG22      ILE  16   0.350   2.722  -5.186
  111   1HD1  ILE  16           HD1      ILE  16  -0.541   2.867  -2.969
  112   2HD1  ILE  16           HD3      ILE  16  -2.036   3.074  -3.877
  113   3HD1  ILE  16           HD2      ILE  16  -2.090   2.530  -2.203
  114    NH1  ARG  17           NH2      ARG  17   3.201   0.589 -12.188
  115    NH2  ARG  17           NH1      ARG  17   2.285  -1.493 -12.400
  116    H    ARG  17           HN       ARG  17   0.677  -0.801  -7.253
  117    HA   ARG  17           HA       ARG  17  -1.934  -0.317  -8.462
  118   1HB   ARG  17           HB2      ARG  17   0.817  -0.930  -9.492
  119   2HB   ARG  17           HB1      ARG  17  -0.565  -1.049 -10.576
  120   1HG   ARG  17           HG2      ARG  17  -1.167   1.256 -10.184
  121   2HG   ARG  17           HG1      ARG  17   0.003   1.398  -8.877
  122   1HD   ARG  17           HD2      ARG  17   0.606   2.269 -11.313
  123   2HD   ARG  17           HD1      ARG  17   1.827   1.455 -10.335
  124    HE   ARG  17           HE       ARG  17   0.200  -0.057 -12.339
  125   1HH1  ARG  17          HH21      ARG  17   3.079   1.563 -11.997
  126   2HH1  ARG  17          HH22      ARG  17   4.110   0.232 -12.403
  127   1HH2  ARG  17          HH11      ARG  17   1.475  -2.081 -12.368
  128   2HH2  ARG  17          HH12      ARG  17   3.178  -1.885 -12.618
  129    NH1  ARG  18           NH1      ARG  18   4.328  -7.537  -8.628
  130    NH2  ARG  18           NH2      ARG  18   3.353  -9.274  -9.747
  131    H    ARG  18           HN       ARG  18   0.112  -3.104  -7.843
  132    HA   ARG  18           HA       ARG  18  -1.693  -4.916  -9.290
  133   1HB   ARG  18           HB2      ARG  18   0.727  -5.444  -7.547
  134   2HB   ARG  18           HB1      ARG  18  -0.147  -6.684  -8.439
  135   1HG   ARG  18           HG2      ARG  18   0.427  -5.709 -10.548
  136   2HG   ARG  18           HG1      ARG  18   0.983  -4.221  -9.790
  137   1HD   ARG  18           HD2      ARG  18   2.899  -5.654 -10.451
  138   2HD   ARG  18           HD1      ARG  18   2.829  -5.464  -8.700
  139    HE   ARG  18           HE       ARG  18   1.350  -7.798  -9.415
  140   1HH1  ARG  18          HH11      ARG  18   4.263  -6.607  -8.266
  141   2HH1  ARG  18          HH12      ARG  18   5.169  -8.064  -8.505
  142   1HH2  ARG  18          HH21      ARG  18   2.558  -9.647 -10.226
  143   2HH2  ARG  18          HH22      ARG  18   4.179  -9.830  -9.644
  144    H    LEU  19           HN       LEU  19  -1.492  -3.566  -6.187
  145    HA   LEU  19           HA       LEU  19  -2.436  -5.624  -4.503
  146   1HB   LEU  19           HB2      LEU  19  -1.750  -3.253  -3.856
  147   2HB   LEU  19           HB1      LEU  19  -3.368  -2.754  -4.337
  148    HG   LEU  19           HG       LEU  19  -4.049  -4.828  -2.774
  149   1HD1  LEU  19          HD12      LEU  19  -1.625  -5.337  -2.316
  150   2HD1  LEU  19          HD11      LEU  19  -1.491  -3.770  -1.522
  151   3HD1  LEU  19          HD13      LEU  19  -2.553  -5.007  -0.856
  152   1HD2  LEU  19          HD23      LEU  19  -3.332  -1.997  -1.976
  153   2HD2  LEU  19          HD22      LEU  19  -4.924  -2.642  -2.360
  154   3HD2  LEU  19          HD21      LEU  19  -4.124  -3.108  -0.863
  155    H    LEU  20           HN       LEU  20  -4.249  -3.417  -6.594
  156    HA   LEU  20           HA       LEU  20  -6.848  -4.394  -5.825
  157   1HB   LEU  20           HB2      LEU  20  -5.795  -2.807  -8.151
  158   2HB   LEU  20           HB1      LEU  20  -7.463  -3.367  -8.144
  159    HG   LEU  20           HG       LEU  20  -6.444  -2.043  -5.664
  160   1HD1  LEU  20          HD13      LEU  20  -6.854  -0.714  -8.329
  161   2HD1  LEU  20          HD12      LEU  20  -7.312   0.148  -6.862
  162   3HD1  LEU  20          HD11      LEU  20  -5.645  -0.372  -7.095
  163   1HD2  LEU  20          HD23      LEU  20  -8.779  -3.044  -6.050
  164   2HD2  LEU  20          HD22      LEU  20  -8.737  -1.387  -5.456
  165   3HD2  LEU  20          HD21      LEU  20  -9.056  -1.704  -7.158
  166    H    ALA  21           HN       ALA  21  -4.629  -5.204  -8.456
  167    HA   ALA  21           HA       ALA  21  -6.423  -7.119  -9.683
  168   1HB   ALA  21           HB3      ALA  21  -4.248  -5.886 -10.599
  169   2HB   ALA  21           HB2      ALA  21  -3.465  -7.351 -10.018
  170   3HB   ALA  21           HB1      ALA  21  -4.740  -7.455 -11.229
  171    H    GLU  22           HN       GLU  22  -4.813  -7.185  -6.796
  172    HA   GLU  22           HA       GLU  22  -4.131 -10.056  -6.862
  173   1HB   GLU  22           HB2      GLU  22  -2.782  -8.278  -5.618
  174   2HB   GLU  22           HB1      GLU  22  -4.101  -8.232  -4.454
  175   1HG   GLU  22           HG2      GLU  22  -2.934  -9.921  -3.438
  176   2HG   GLU  22           HG1      GLU  22  -3.697 -10.931  -4.663
  177    H    HIS  23           HN       HIS  23  -6.437  -7.907  -5.247
  178    HA   HIS  23           HA       HIS  23  -7.893 -10.283  -4.204
  179   1HB   HIS  23           HB2      HIS  23  -8.563  -7.390  -3.660
  180   2HB   HIS  23           HB1      HIS  23  -8.982  -8.804  -2.696
  181    HD1  HIS  23           HD1      HIS  23  -6.809  -9.970  -1.652
  182    HD2  HIS  23           HD2      HIS  23  -6.213  -6.168  -2.940
  183    HE1  HIS  23           HE1      HIS  23  -4.752  -9.262  -0.576
  184    H    ASN  24           HN       ASN  24  -8.087  -7.767  -6.566
  185    HA   ASN  24           HA       ASN  24  -9.588  -7.543  -8.371
  186   1HB   ASN  24           HB2      ASN  24  -9.721 -10.189  -7.848
  187   2HB   ASN  24           HB1      ASN  24 -11.373  -9.725  -7.445
  188   1HD2  ASN  24          HD22      ASN  24 -10.272  -9.949 -11.305
  189   2HD2  ASN  24          HD21      ASN  24  -9.279 -10.481 -10.035
  190    H    LEU  25           HN       LEU  25  -9.897  -6.123  -5.939
  191    HA   LEU  25           HA       LEU  25 -12.865  -5.968  -5.626
  192   1HB   LEU  25           HB2      LEU  25 -10.546  -5.291  -3.862
  193   2HB   LEU  25           HB1      LEU  25 -12.039  -4.378  -3.666
  194    HG   LEU  25           HG       LEU  25 -12.225  -7.365  -3.858
  195   1HD1  LEU  25          HD13      LEU  25 -11.405  -5.838  -1.363
  196   2HD1  LEU  25          HD12      LEU  25 -11.844  -7.542  -1.414
  197   3HD1  LEU  25          HD11      LEU  25 -10.393  -6.982  -2.241
  198   1HD2  LEU  25          HD22      LEU  25 -14.247  -5.921  -3.736
  199   2HD2  LEU  25          HD21      LEU  25 -14.110  -6.955  -2.317
  200   3HD2  LEU  25          HD23      LEU  25 -13.667  -5.254  -2.214
  201    H    ASP  26           HN       ASP  26 -13.891  -3.909  -5.701
  202    HA   ASP  26           HA       ASP  26 -12.522  -2.038  -7.549
  203   1HB   ASP  26           HB2      ASP  26 -15.217  -2.920  -7.192
  204   2HB   ASP  26           HB1      ASP  26 -15.170  -1.177  -6.938
  205    H    ALA  27           HN       ALA  27 -11.198  -0.735  -6.364
  206    HA   ALA  27           HA       ALA  27 -11.530   0.196  -3.751
  207   1HB   ALA  27           HB3      ALA  27 -10.071   1.135  -6.143
  208   2HB   ALA  27           HB2      ALA  27 -10.375   2.368  -4.923
  209   3HB   ALA  27           HB1      ALA  27  -9.496   0.904  -4.495
  210    H    SER  28           HN       SER  28 -13.425   0.919  -6.471
  211    HA   SER  28           HA       SER  28 -14.303   3.541  -6.095
  212   1HB   SER  28           HB2      SER  28 -15.677   2.863  -7.765
  213   2HB   SER  28           HB1      SER  28 -15.327   1.164  -7.386
  214    HG   SER  28           HG1      SER  28 -17.573   2.244  -6.979
  215    H    ALA  29           HN       ALA  29 -14.904   0.751  -4.114
  216    HA   ALA  29           HA       ALA  29 -16.979   2.164  -2.549
  217   1HB   ALA  29           HB2      ALA  29 -16.126  -0.606  -2.910
  218   2HB   ALA  29           HB1      ALA  29 -16.376  -0.197  -1.215
  219   3HB   ALA  29           HB3      ALA  29 -17.681   0.023  -2.376
  220    H    ILE  30           HN       ILE  30 -13.681   0.959  -2.191
  221    HA   ILE  30           HA       ILE  30 -13.419   1.698   0.582
  222    HB   ILE  30           HB       ILE  30 -11.197   1.460  -1.465
  223   1HG1  ILE  30          HG12      ILE  30 -12.553  -0.537  -1.655
  224   2HG1  ILE  30          HG11      ILE  30 -11.121  -0.961  -0.730
  225   1HG2  ILE  30          HG22      ILE  30 -11.287   1.863   1.420
  226   2HG2  ILE  30          HG21      ILE  30 -10.431   0.379   1.022
  227   3HG2  ILE  30          HG23      ILE  30  -9.905   1.909   0.334
  228   1HD1  ILE  30           HD2      ILE  30 -12.611  -0.361   1.354
  229   2HD1  ILE  30           HD1      ILE  30 -13.951  -0.573   0.234
  230   3HD1  ILE  30           HD3      ILE  30 -12.852  -1.909   0.552
  231    H    LYS  31           HN       LYS  31 -12.530   3.535   1.505
  232    HA   LYS  31           HA       LYS  31 -12.553   5.934  -0.246
  233   1HB   LYS  31           HB2      LYS  31 -12.563   7.180   1.925
  234   2HB   LYS  31           HB1      LYS  31 -13.932   6.088   1.746
  235   1HG   LYS  31           HG2      LYS  31 -11.748   4.616   2.883
  236   2HG   LYS  31           HG1      LYS  31 -11.951   6.094   3.810
  237   1HD   LYS  31           HD2      LYS  31 -14.187   4.156   3.114
  238   2HD   LYS  31           HD1      LYS  31 -13.377   4.230   4.671
  239   1HE   LYS  31           HE2      LYS  31 -15.550   5.864   3.686
  240   2HE   LYS  31           HE1      LYS  31 -14.863   5.809   5.303
  241   1HZ   LYS  31           HZ1      LYS  31 -13.081   7.299   4.472
  242   2HZ   LYS  31           HZ3      LYS  31 -13.950   7.462   3.024
  243   3HZ   LYS  31           HZ2      LYS  31 -14.628   7.997   4.483
  244    H    GLY  32           HN       GLY  32 -10.946   7.626   1.216
  245   1HA   GLY  32           HA2      GLY  32  -8.302   6.337   1.492
  246   2HA   GLY  32           HA1      GLY  32  -8.452   7.526   0.200
  247    H    THR  33           HN       THR  33  -6.861   7.537   2.724
  248    HA   THR  33           HA       THR  33  -7.620  10.268   3.551
  249    HB   THR  33           HB       THR  33  -7.234   9.340   6.046
  250    HG1  THR  33           HG1      THR  33  -8.408   7.196   5.839
  251   1HG2  THR  33          HG21      THR  33  -9.393  10.350   5.100
  252   2HG2  THR  33          HG23      THR  33  -9.822   8.725   4.575
  253   3HG2  THR  33          HG22      THR  33  -9.638   9.075   6.291
  254    H    GLY  34           HN       GLY  34  -5.626  10.762   2.474
  255   1HA   GLY  34           HA2      GLY  34  -3.301  10.436   4.267
  256   2HA   GLY  34           HA1      GLY  34  -3.117   9.795   2.636
  257    H    VAL  35           HN       VAL  35  -1.362  11.408   2.524
  258    HA   VAL  35           HA       VAL  35  -2.004  14.238   2.551
  259    HB   VAL  35           HB       VAL  35   0.362  12.688   1.478
  260   1HG1  VAL  35          HG12      VAL  35  -0.377  15.582   1.314
  261   2HG1  VAL  35          HG11      VAL  35   1.301  15.193   1.681
  262   3HG1  VAL  35          HG13      VAL  35   0.565  14.605   0.193
  263   1HG2  VAL  35          HG23      VAL  35  -0.021  12.787   3.968
  264   2HG2  VAL  35          HG22      VAL  35   1.477  13.561   3.460
  265   3HG2  VAL  35          HG21      VAL  35   0.072  14.542   3.866
  266    H    GLY  36           HN       GLY  36  -2.990  15.361   0.999
  267   1HA   GLY  36           HA2      GLY  36  -3.595  16.048  -1.181
  268   2HA   GLY  36           HA1      GLY  36  -2.525  14.807  -1.826
  269    H    GLY  37           HN       GLY  37  -4.975  14.043   0.524
  270   1HA   GLY  37           HA2      GLY  37  -6.743  12.493   0.365
  271   2HA   GLY  37           HA1      GLY  37  -7.216  13.478  -1.016
  272    NH1  ARG  38           NH1      ARG  38  -5.126   9.820  -5.811
  273    NH2  ARG  38           NH2      ARG  38  -5.358  12.092  -5.761
  274    H    ARG  38           HN       ARG  38  -4.501  11.253  -0.420
  275    HA   ARG  38           HA       ARG  38  -5.107   9.952  -3.035
  276   1HB   ARG  38           HB2      ARG  38  -2.780  10.932  -2.396
  277   2HB   ARG  38           HB1      ARG  38  -2.617   9.480  -1.416
  278   1HG   ARG  38           HG2      ARG  38  -1.804   8.597  -3.374
  279   2HG   ARG  38           HG1      ARG  38  -3.515   8.374  -3.726
  280   1HD   ARG  38           HD2      ARG  38  -1.659  10.545  -4.704
  281   2HD   ARG  38           HD1      ARG  38  -2.733   9.509  -5.643
  282    HE   ARG  38           HE       ARG  38  -3.621  11.826  -3.987
  283   1HH1  ARG  38          HH11      ARG  38  -4.626   9.004  -5.520
  284   2HH1  ARG  38          HH12      ARG  38  -5.922   9.732  -6.409
  285   1HH2  ARG  38          HH21      ARG  38  -5.034  12.979  -5.433
  286   2HH2  ARG  38          HH22      ARG  38  -6.158  12.043  -6.359
  287    H    LEU  39           HN       LEU  39  -5.177   7.670  -3.190
  288    HA   LEU  39           HA       LEU  39  -6.304   6.382  -0.818
  289   1HB   LEU  39           HB2      LEU  39  -7.335   5.850  -2.923
  290   2HB   LEU  39           HB1      LEU  39  -5.788   5.435  -3.647
  291    HG   LEU  39           HG       LEU  39  -5.586   3.454  -2.271
  292   1HD1  LEU  39          HD11      LEU  39  -7.919   4.678  -0.786
  293   2HD1  LEU  39          HD13      LEU  39  -7.569   2.958  -0.669
  294   3HD1  LEU  39          HD12      LEU  39  -6.376   4.137  -0.136
  295   1HD2  LEU  39          HD22      LEU  39  -7.373   3.642  -4.231
  296   2HD2  LEU  39          HD21      LEU  39  -7.273   2.185  -3.247
  297   3HD2  LEU  39          HD23      LEU  39  -8.514   3.388  -2.913
  298    H    THR  40           HN       THR  40  -4.951   5.673   0.718
  299    HA   THR  40           HA       THR  40  -2.213   4.842   0.063
  300    HB   THR  40           HB       THR  40  -1.938   4.624   2.504
  301    HG1  THR  40           HG1      THR  40  -4.584   5.297   2.944
  302   1HG2  THR  40          HG22      THR  40  -2.126   6.995   1.619
  303   2HG2  THR  40          HG21      THR  40  -3.857   6.919   1.937
  304   3HG2  THR  40          HG23      THR  40  -2.711   6.825   3.272
  305    NH1  ARG  41           NH1      ARG  41   2.293  -3.487   1.428
  306    NH2  ARG  41           NH2      ARG  41   1.128  -5.125   0.340
  307    H    ARG  41           HN       ARG  41  -1.613   2.760   1.584
  308    HA   ARG  41           HA       ARG  41  -3.178   0.564   0.340
  309   1HB   ARG  41           HB2      ARG  41  -0.662   0.667   0.144
  310   2HB   ARG  41           HB1      ARG  41  -0.578   0.377   1.878
  311   1HG   ARG  41           HG2      ARG  41  -1.762  -1.747   1.622
  312   2HG   ARG  41           HG1      ARG  41  -1.999  -1.442  -0.095
  313   1HD   ARG  41           HD2      ARG  41   0.173  -1.976  -0.623
  314   2HD   ARG  41           HD1      ARG  41   0.810  -1.287   0.868
  315    HE   ARG  41           HE       ARG  41  -0.688  -3.626   1.522
  316   1HH1  ARG  41          HH11      ARG  41   2.296  -2.595   1.879
  317   2HH1  ARG  41          HH12      ARG  41   3.139  -4.013   1.353
  318   1HH2  ARG  41          HH21      ARG  41   0.260  -5.460  -0.023
  319   2HH2  ARG  41          HH22      ARG  41   1.956  -5.678   0.247
  320    H    GLU  42           HN       GLU  42  -2.711   2.111   3.350
  321    HA   GLU  42           HA       GLU  42  -3.478  -0.189   4.989
  322   1HB   GLU  42           HB2      GLU  42  -3.282   2.757   5.658
  323   2HB   GLU  42           HB1      GLU  42  -3.545   1.473   6.831
  324   1HG   GLU  42           HG2      GLU  42  -1.393   0.548   6.479
  325   2HG   GLU  42           HG1      GLU  42  -1.189   1.386   4.942
  326    H    ASP  43           HN       ASP  43  -5.163   1.618   2.870
  327    HA   ASP  43           HA       ASP  43  -7.608   1.885   4.520
  328   1HB   ASP  43           HB2      ASP  43  -6.764   2.839   1.805
  329   2HB   ASP  43           HB1      ASP  43  -8.481   2.741   2.186
  330    H    VAL  44           HN       VAL  44  -6.243  -0.106   2.013
  331    HA   VAL  44           HA       VAL  44  -8.807  -1.446   1.462
  332    HB   VAL  44           HB       VAL  44  -5.983  -1.887   0.475
  333   1HG1  VAL  44          HG12      VAL  44  -8.474  -3.538   0.188
  334   2HG1  VAL  44          HG11      VAL  44  -7.388  -3.409  -1.190
  335   3HG1  VAL  44          HG13      VAL  44  -6.801  -4.066   0.335
  336   1HG2  VAL  44          HG21      VAL  44  -7.667   0.039  -0.268
  337   2HG2  VAL  44          HG23      VAL  44  -6.693  -0.811  -1.464
  338   3HG2  VAL  44          HG22      VAL  44  -8.377  -1.261  -1.220
  339    H    GLU  45           HN       GLU  45  -5.696  -2.245   2.966
  340    HA   GLU  45           HA       GLU  45  -6.056  -4.917   3.613
  341   1HB   GLU  45           HB2      GLU  45  -4.216  -3.094   4.312
  342   2HB   GLU  45           HB1      GLU  45  -5.099  -3.176   5.832
  343   1HG   GLU  45           HG2      GLU  45  -3.865  -5.515   4.335
  344   2HG   GLU  45           HG1      GLU  45  -3.316  -4.846   5.870
  345    H    LYS  46           HN       LYS  46  -7.640  -2.141   5.035
  346    HA   LYS  46           HA       LYS  46  -8.851  -3.665   7.210
  347   1HB   LYS  46           HB2      LYS  46  -8.573  -0.924   6.502
  348   2HB   LYS  46           HB1      LYS  46 -10.296  -1.251   6.642
  349   1HG   LYS  46           HG2      LYS  46  -9.960  -2.222   8.873
  350   2HG   LYS  46           HG1      LYS  46  -8.220  -1.999   8.730
  351   1HD   LYS  46           HD2      LYS  46  -9.955   0.399   8.308
  352   2HD   LYS  46           HD1      LYS  46  -9.767  -0.186   9.957
  353   1HE   LYS  46           HE2      LYS  46  -7.337   0.139   8.211
  354   2HE   LYS  46           HE1      LYS  46  -8.035   1.549   8.996
  355   1HZ   LYS  46           HZ1      LYS  46  -7.842  -0.569  10.843
  356   2HZ   LYS  46           HZ3      LYS  46  -6.333  -0.331  10.100
  357   3HZ   LYS  46           HZ2      LYS  46  -7.105   0.960  10.890
  358    H    HIS  47           HN       HIS  47  -9.243  -4.444   4.317
  359    HA   HIS  47           HA       HIS  47 -12.228  -4.635   4.428
  360   1HB   HIS  47           HB2      HIS  47 -11.106  -3.014   2.649
  361   2HB   HIS  47           HB1      HIS  47 -10.851  -4.522   1.776
  362    HD1  HIS  47           HD1      HIS  47 -13.678  -2.715   3.360
  363    HD2  HIS  47           HD2      HIS  47 -13.051  -5.430   0.410
  364    HE1  HIS  47           HE1      HIS  47 -15.851  -3.024   2.325
  365    H    LEU  48           HN       LEU  48  -9.339  -6.232   4.419
  366    HA   LEU  48           HA       LEU  48 -10.322  -8.580   2.900
  367   1HB   LEU  48           HB2      LEU  48  -7.688  -8.288   4.357
  368   2HB   LEU  48           HB1      LEU  48  -8.090  -9.442   3.091
  369    HG   LEU  48           HG       LEU  48  -7.953  -6.424   2.765
  370   1HD1  LEU  48          HD13      LEU  48  -5.759  -7.656   2.971
  371   2HD1  LEU  48          HD12      LEU  48  -6.223  -8.612   1.567
  372   3HD1  LEU  48          HD11      LEU  48  -5.985  -6.874   1.409
  373   1HD2  LEU  48          HD22      LEU  48  -8.876  -8.676   0.999
  374   2HD2  LEU  48          HD21      LEU  48  -9.576  -7.074   1.208
  375   3HD2  LEU  48          HD23      LEU  48  -8.102  -7.276   0.266
  376    H    ALA  49           HN       ALA  49  -9.316 -10.691   4.210
  377    HA   ALA  49           HA       ALA  49 -10.220 -10.556   7.029
  378   1HB   ALA  49           HB1      ALA  49 -11.984 -11.369   5.065
  379   2HB   ALA  49           HB3      ALA  49 -11.316 -12.894   5.638
  380   3HB   ALA  49           HB2      ALA  49 -12.099 -11.796   6.770
  381    H    LYS  50           HN       LYS  50 -10.302 -13.318   7.469
  382    HA   LYS  50           HA       LYS  50  -7.413 -13.912   7.387
  383   1HB   LYS  50           HB2      LYS  50  -8.519 -16.050   8.646
  384   2HB   LYS  50           HB1      LYS  50  -8.089 -14.556   9.469
  385   1HG   LYS  50           HG2      LYS  50 -10.345 -13.709   9.268
  386   2HG   LYS  50           HG1      LYS  50 -10.804 -15.034   8.204
  387   1HD   LYS  50           HD2      LYS  50 -11.010 -16.529   9.936
  388   2HD   LYS  50           HD1      LYS  50  -9.674 -15.822  10.838
  389   1HE   LYS  50           HE2      LYS  50 -11.850 -15.430  11.973
  390   2HE   LYS  50           HE1      LYS  50 -11.091 -13.919  11.487
  391   1HZ   LYS  50           HZ3      LYS  50 -13.153 -15.328   9.891
  392   2HZ   LYS  50           HZ2      LYS  50 -13.484 -14.056  10.966
  393   3HZ   LYS  50           HZ1      LYS  50 -12.513 -13.782   9.600
  394    H    ALA  51           HN       ALA  51  -6.604 -14.974   5.695
  395    HA   ALA  51           HA       ALA  51  -8.076 -17.324   4.645
  396   1HB   ALA  51           HB3      ALA  51  -7.124 -15.018   2.927
  397   2HB   ALA  51           HB2      ALA  51  -7.688 -16.562   2.297
  398   3HB   ALA  51           HB1      ALA  51  -8.794 -15.515   3.180
   
 Raw file had 398 H/Q atoms
  Start of MODEL   43
    1    OH   TYR   1           OH       TYR   1  17.061  10.271 -18.244
    2   1H    TYR   1           HT3      TYR   1  19.250  10.063 -10.177
    3   2H    TYR   1           HT2      TYR   1  20.171   9.550 -11.509
    4   3H    TYR   1           HT1      TYR   1  20.104  11.198 -11.106
    5    HA   TYR   1           HA       TYR   1  18.586  11.247 -12.748
    6   1HB   TYR   1           HB2      TYR   1  18.896   8.494 -12.668
    7   2HB   TYR   1           HB1      TYR   1  17.184   8.714 -12.313
    8    HD1  TYR   1           HD2      TYR   1  15.700   9.787 -13.953
    9    HD2  TYR   1           HD1      TYR   1  19.825   9.212 -14.818
   10    HE1  TYR   1           HE2      TYR   1  15.270  10.261 -16.320
   11    HE2  TYR   1           HE1      TYR   1  19.395   9.686 -17.185
   12    HH   TYR   1           HH       TYR   1  16.754   9.462 -18.658
   13    H    ALA   2           HN       ALA   2  16.291  11.688 -12.778
   14    HA   ALA   2           HA       ALA   2  15.294  12.360 -10.116
   15   1HB   ALA   2           HB2      ALA   2  14.001  12.637 -12.844
   16   2HB   ALA   2           HB1      ALA   2  13.384  13.341 -11.352
   17   3HB   ALA   2           HB3      ALA   2  14.926  13.881 -12.010
   18    H    SER   3           HN       SER   3  15.459   9.808  -9.807
   19    HA   SER   3           HA       SER   3  12.695   8.895  -9.624
   20   1HB   SER   3           HB2      SER   3  13.620   8.345 -12.038
   21   2HB   SER   3           HB1      SER   3  14.441   7.020 -11.189
   22    HG   SER   3           HG1      SER   3  11.741   7.479 -11.594
   23    H    LEU   4           HN       LEU   4  15.757   9.055  -8.521
   24    HA   LEU   4           HA       LEU   4  15.306   6.781  -6.646
   25   1HB   LEU   4           HB2      LEU   4  17.707   7.284  -8.374
   26   2HB   LEU   4           HB1      LEU   4  17.915   6.518  -6.804
   27    HG   LEU   4           HG       LEU   4  15.740   5.476  -8.576
   28   1HD1  LEU   4          HD11      LEU   4  18.698   5.251  -9.082
   29   2HD1  LEU   4          HD13      LEU   4  17.651   3.886  -9.455
   30   3HD1  LEU   4          HD12      LEU   4  17.388   5.438 -10.243
   31   1HD2  LEU   4          HD23      LEU   4  16.162   4.620  -6.264
   32   2HD2  LEU   4          HD22      LEU   4  16.380   3.373  -7.488
   33   3HD2  LEU   4          HD21      LEU   4  17.785   4.148  -6.763
   34    H    GLU   5           HN       GLU   5  15.514   9.947  -6.888
   35    HA   GLU   5           HA       GLU   5  16.280  10.334  -4.126
   36   1HB   GLU   5           HB2      GLU   5  18.535  10.090  -5.002
   37   2HB   GLU   5           HB1      GLU   5  18.204  11.263  -6.272
   38   1HG   GLU   5           HG2      GLU   5  18.289  13.066  -4.821
   39   2HG   GLU   5           HG1      GLU   5  17.722  12.119  -3.446
   40    H    GLU   6           HN       GLU   6  14.443  11.540  -3.869
   41    HA   GLU   6           HA       GLU   6  14.526  14.303  -4.721
   42   1HB   GLU   6           HB2      GLU   6  13.585  12.724  -6.697
   43   2HB   GLU   6           HB1      GLU   6  12.090  13.000  -5.810
   44   1HG   GLU   6           HG2      GLU   6  12.249  14.794  -7.396
   45   2HG   GLU   6           HG1      GLU   6  12.697  15.492  -5.842
   46    H    GLN   7           HN       GLN   7  12.527  15.483  -4.017
   47    HA   GLN   7           HA       GLN   7  11.909  15.058  -1.341
   48   1HB   GLN   7           HB2      GLN   7   9.957  16.487  -1.672
   49   2HB   GLN   7           HB1      GLN   7  11.297  17.093  -2.638
   50   1HG   GLN   7           HG2      GLN   7  10.329  15.630  -4.548
   51   2HG   GLN   7           HG1      GLN   7   8.869  15.549  -3.565
   52   1HE2  GLN   7          HE22      GLN   7   9.992  19.352  -4.662
   53   2HE2  GLN   7          HE21      GLN   7  11.165  18.275  -4.075
   54    H    ASN   8           HN       ASN   8  10.650  13.688  -0.215
   55    HA   ASN   8           HA       ASN   8   9.146  11.935   0.225
   56   1HB   ASN   8           HB2      ASN   8   7.811  12.393  -2.419
   57   2HB   ASN   8           HB1      ASN   8   7.088  12.019  -0.857
   58   1HD2  ASN   8          HD22      ASN   8   8.089  15.590   0.103
   59   2HD2  ASN   8          HD21      ASN   8   8.786  14.100   0.520
   60    H    ASN   9           HN       ASN   9  11.519  11.102  -0.721
   61    HA   ASN   9           HA       ASN   9  11.364   9.505  -3.118
   62   1HB   ASN   9           HB2      ASN   9  13.539  10.137  -2.324
   63   2HB   ASN   9           HB1      ASN   9  13.229   9.436  -0.737
   64   1HD2  ASN   9          HD22      ASN   9  14.890   6.550  -1.917
   65   2HD2  ASN   9          HD21      ASN   9  14.899   7.839  -0.812
   66    H    ASP  10           HN       ASP  10  10.325   9.033   0.129
   67    HA   ASP  10           HA       ASP  10  10.107   6.101  -0.204
   68   1HB   ASP  10           HB2      ASP  10   9.337   6.110   2.126
   69   2HB   ASP  10           HB1      ASP  10  10.820   7.048   1.979
   70    H    ALA  11           HN       ALA  11   8.602   7.285  -2.102
   71    HA   ALA  11           HA       ALA  11   5.905   7.897  -1.335
   72   1HB   ALA  11           HB1      ALA  11   7.010   8.400  -3.569
   73   2HB   ALA  11           HB3      ALA  11   6.770   6.703  -3.976
   74   3HB   ALA  11           HB2      ALA  11   5.380   7.739  -3.670
   75    H    LEU  12           HN       LEU  12   4.450   6.163  -3.072
   76    HA   LEU  12           HA       LEU  12   4.192   3.852  -1.260
   77   1HB   LEU  12           HB2      LEU  12   2.574   4.680  -3.683
   78   2HB   LEU  12           HB1      LEU  12   2.170   3.352  -2.602
   79    HG   LEU  12           HG       LEU  12   2.696   6.005  -1.339
   80   1HD1  LEU  12          HD12      LEU  12   0.151   5.338  -2.861
   81   2HD1  LEU  12          HD11      LEU  12   0.360   6.722  -1.792
   82   3HD1  LEU  12          HD13      LEU  12   1.294   6.610  -3.281
   83   1HD2  LEU  12          HD23      LEU  12   2.079   3.836  -0.143
   84   2HD2  LEU  12          HD22      LEU  12   1.042   5.212   0.222
   85   3HD2  LEU  12          HD21      LEU  12   0.493   3.968  -0.897
   86    H    SER  13           HN       SER  13   3.454   1.766  -2.689
   87    HA   SER  13           HA       SER  13   5.885   1.128  -4.230
   88   1HB   SER  13           HB2      SER  13   4.478  -0.314  -2.350
   89   2HB   SER  13           HB1      SER  13   3.954  -1.049  -3.877
   90    HG   SER  13           HG1      SER  13   6.593  -0.609  -2.944
   91    HA   PRO  14           HA       PRO  14   3.723   1.466  -8.128
   92   1HB   PRO  14           HB2      PRO  14   5.111  -0.637  -9.444
   93   2HB   PRO  14           HB1      PRO  14   5.463   1.090  -9.531
   94   1HG   PRO  14           HG2      PRO  14   6.937  -1.004  -8.096
   95   2HG   PRO  14           HG1      PRO  14   7.411   0.670  -8.386
   96   1HD   PRO  14           HD1      PRO  14   6.542  -0.441  -5.908
   97   2HD   PRO  14           HD2      PRO  14   6.805   1.275  -6.276
   98    H    ALA  15           HN       ALA  15   4.037  -1.517  -6.401
   99    HA   ALA  15           HA       ALA  15   2.123  -2.981  -8.070
  100   1HB   ALA  15           HB2      ALA  15   3.574  -3.578  -5.501
  101   2HB   ALA  15           HB1      ALA  15   2.295  -4.637  -6.090
  102   3HB   ALA  15           HB3      ALA  15   3.737  -4.370  -7.065
  103    H    ILE  16           HN       ILE  16   1.777  -0.576  -5.813
  104    HA   ILE  16           HA       ILE  16  -0.422  -1.544  -4.244
  105    HB   ILE  16           HB       ILE  16   0.984   0.579  -3.865
  106   1HG1  ILE  16          HG12      ILE  16  -2.043   0.533  -3.668
  107   2HG1  ILE  16          HG11      ILE  16  -0.887   0.084  -2.420
  108   1HG2  ILE  16          HG23      ILE  16   0.360   1.344  -6.286
  109   2HG2  ILE  16          HG22      ILE  16  -1.146   1.885  -5.548
  110   3HG2  ILE  16          HG21      ILE  16   0.391   2.551  -5.003
  111   1HD1  ILE  16           HD2      ILE  16  -0.017   2.537  -2.690
  112   2HD1  ILE  16           HD1      ILE  16  -1.575   2.832  -3.451
  113   3HD1  ILE  16           HD3      ILE  16  -1.499   2.266  -1.786
  114    NH1  ARG  17           NH1      ARG  17   1.250   4.786 -10.084
  115    NH2  ARG  17           NH2      ARG  17   2.748   3.976  -8.560
  116    H    ARG  17           HN       ARG  17  -0.190  -0.320  -7.482
  117    HA   ARG  17           HA       ARG  17  -3.076   0.140  -7.738
  118   1HB   ARG  17           HB2      ARG  17  -0.914   0.012  -9.860
  119   2HB   ARG  17           HB1      ARG  17  -2.558   0.591 -10.104
  120   1HG   ARG  17           HG2      ARG  17  -1.876   2.641  -9.451
  121   2HG   ARG  17           HG1      ARG  17  -1.577   1.982  -7.847
  122   1HD   ARG  17           HD2      ARG  17   0.697   1.247  -8.637
  123   2HD   ARG  17           HD1      ARG  17   0.389   2.078 -10.160
  124    HE   ARG  17           HE       ARG  17   0.162   3.670  -7.666
  125   1HH1  ARG  17          HH11      ARG  17   0.313   4.814 -10.433
  126   2HH1  ARG  17          HH12      ARG  17   1.965   5.326 -10.528
  127   1HH2  ARG  17          HH21      ARG  17   2.934   3.397  -7.766
  128   2HH2  ARG  17          HH22      ARG  17   3.488   4.503  -8.979
  129    NH1  ARG  18           NH1      ARG  18   3.088  -4.385 -10.107
  130    NH2  ARG  18           NH2      ARG  18   3.532  -6.182 -11.447
  131    H    ARG  18           HN       ARG  18  -0.759  -2.373  -8.517
  132    HA   ARG  18           HA       ARG  18  -2.778  -3.959  -9.961
  133   1HB   ARG  18           HB2      ARG  18   0.142  -4.205  -9.390
  134   2HB   ARG  18           HB1      ARG  18  -0.754  -5.678  -9.740
  135   1HG   ARG  18           HG2      ARG  18  -1.338  -4.965 -11.899
  136   2HG   ARG  18           HG1      ARG  18  -1.105  -3.266 -11.505
  137   1HD   ARG  18           HD2      ARG  18   0.719  -4.530 -12.934
  138   2HD   ARG  18           HD1      ARG  18   1.231  -3.413 -11.671
  139    HE   ARG  18           HE       ARG  18   0.935  -6.265 -10.917
  140   1HH1  ARG  18          HH11      ARG  18   2.418  -3.758  -9.710
  141   2HH1  ARG  18          HH12      ARG  18   4.059  -4.282  -9.890
  142   1HH2  ARG  18          HH21      ARG  18   3.195  -6.901 -12.054
  143   2HH2  ARG  18          HH22      ARG  18   4.511  -6.109 -11.253
  144    H    LEU  19           HN       LEU  19  -1.926  -3.441  -6.760
  145    HA   LEU  19           HA       LEU  19  -2.220  -6.085  -5.674
  146   1HB   LEU  19           HB2      LEU  19  -1.291  -4.003  -4.506
  147   2HB   LEU  19           HB1      LEU  19  -2.966  -3.529  -4.248
  148    HG   LEU  19           HG       LEU  19  -3.090  -6.104  -3.407
  149   1HD1  LEU  19          HD12      LEU  19  -0.650  -6.423  -3.817
  150   2HD1  LEU  19          HD11      LEU  19  -0.307  -5.127  -2.675
  151   3HD1  LEU  19          HD13      LEU  19  -1.062  -6.618  -2.116
  152   1HD2  LEU  19          HD23      LEU  19  -2.201  -3.668  -1.825
  153   2HD2  LEU  19          HD22      LEU  19  -3.859  -4.196  -2.102
  154   3HD2  LEU  19          HD21      LEU  19  -2.784  -5.159  -1.091
  155    H    LEU  20           HN       LEU  20  -4.526  -3.374  -5.848
  156    HA   LEU  20           HA       LEU  20  -6.782  -4.687  -4.812
  157   1HB   LEU  20           HB2      LEU  20  -6.654  -2.646  -7.047
  158   2HB   LEU  20           HB1      LEU  20  -8.120  -3.091  -6.182
  159    HG   LEU  20           HG       LEU  20  -5.787  -2.342  -4.494
  160   1HD1  LEU  20          HD13      LEU  20  -7.331  -0.353  -6.192
  161   2HD1  LEU  20          HD12      LEU  20  -6.335   0.096  -4.811
  162   3HD1  LEU  20          HD11      LEU  20  -5.594  -0.640  -6.230
  163   1HD2  LEU  20          HD22      LEU  20  -8.081  -2.948  -3.646
  164   2HD2  LEU  20          HD21      LEU  20  -7.553  -1.346  -3.143
  165   3HD2  LEU  20          HD23      LEU  20  -8.710  -1.519  -4.458
  166    H    ALA  21           HN       ALA  21  -5.244  -5.033  -7.906
  167    HA   ALA  21           HA       ALA  21  -7.486  -6.453  -9.133
  168   1HB   ALA  21           HB3      ALA  21  -4.884  -5.449  -9.958
  169   2HB   ALA  21           HB2      ALA  21  -5.169  -7.075 -10.569
  170   3HB   ALA  21           HB1      ALA  21  -6.309  -5.784 -10.937
  171    H    GLU  22           HN       GLU  22  -4.521  -7.284  -7.456
  172    HA   GLU  22           HA       GLU  22  -4.547 -10.092  -8.069
  173   1HB   GLU  22           HB2      GLU  22  -2.609  -8.762  -7.107
  174   2HB   GLU  22           HB1      GLU  22  -3.441  -8.823  -5.558
  175   1HG   GLU  22           HG2      GLU  22  -3.537 -11.463  -6.425
  176   2HG   GLU  22           HG1      GLU  22  -1.940 -10.928  -6.944
  177    H    HIS  23           HN       HIS  23  -6.124  -8.137  -5.641
  178    HA   HIS  23           HA       HIS  23  -7.175 -10.544  -4.272
  179   1HB   HIS  23           HB2      HIS  23  -7.666  -7.615  -3.667
  180   2HB   HIS  23           HB1      HIS  23  -8.059  -8.982  -2.625
  181    HD1  HIS  23           HD1      HIS  23  -5.637 -10.495  -2.455
  182    HD2  HIS  23           HD2      HIS  23  -5.378  -6.457  -2.755
  183    HE1  HIS  23           HE1      HIS  23  -3.435  -9.947  -1.595
  184    H    ASN  24           HN       ASN  24  -7.920  -9.291  -7.044
  185    HA   ASN  24           HA       ASN  24  -9.881  -9.064  -8.322
  186   1HB   ASN  24           HB2      ASN  24 -10.738 -11.023  -6.184
  187   2HB   ASN  24           HB1      ASN  24 -11.765 -10.597  -7.550
  188   1HD2  ASN  24          HD22      ASN  24  -8.215 -12.101  -8.875
  189   2HD2  ASN  24          HD21      ASN  24  -8.261 -10.698  -7.922
  190    H    LEU  25           HN       LEU  25  -9.487  -6.928  -6.634
  191    HA   LEU  25           HA       LEU  25 -12.303  -6.201  -5.973
  192   1HB   LEU  25           HB2      LEU  25  -9.898  -6.016  -4.173
  193   2HB   LEU  25           HB1      LEU  25 -11.245  -4.901  -3.978
  194    HG   LEU  25           HG       LEU  25 -11.824  -7.840  -4.202
  195   1HD1  LEU  25          HD12      LEU  25 -10.847  -6.396  -1.716
  196   2HD1  LEU  25          HD11      LEU  25 -11.597  -7.989  -1.709
  197   3HD1  LEU  25          HD13      LEU  25 -10.053  -7.746  -2.518
  198   1HD2  LEU  25          HD21      LEU  25 -13.444  -5.703  -3.990
  199   2HD2  LEU  25          HD23      LEU  25 -13.844  -7.245  -3.243
  200   3HD2  LEU  25          HD22      LEU  25 -13.125  -5.960  -2.279
  201    H    ASP  26           HN       ASP  26 -12.706  -3.919  -5.989
  202    HA   ASP  26           HA       ASP  26 -10.707  -2.395  -7.620
  203   1HB   ASP  26           HB2      ASP  26 -13.439  -2.946  -8.101
  204   2HB   ASP  26           HB1      ASP  26 -13.342  -1.237  -7.686
  205    H    ALA  27           HN       ALA  27 -10.037  -0.435  -6.897
  206    HA   ALA  27           HA       ALA  27 -10.503   0.261  -4.135
  207   1HB   ALA  27           HB1      ALA  27  -8.935   1.347  -6.400
  208   2HB   ALA  27           HB3      ALA  27  -9.397   2.514  -5.165
  209   3HB   ALA  27           HB2      ALA  27  -8.459   1.091  -4.724
  210    H    SER  28           HN       SER  28 -12.145   0.979  -7.052
  211    HA   SER  28           HA       SER  28 -13.255   3.518  -6.542
  212   1HB   SER  28           HB2      SER  28 -13.833   1.288  -8.290
  213   2HB   SER  28           HB1      SER  28 -15.341   1.986  -7.668
  214    HG   SER  28           HG1      SER  28 -14.772   3.315  -9.308
  215    H    ALA  29           HN       ALA  29 -13.792   0.518  -4.955
  216    HA   ALA  29           HA       ALA  29 -16.277   1.490  -3.665
  217   1HB   ALA  29           HB2      ALA  29 -14.798  -1.148  -3.542
  218   2HB   ALA  29           HB1      ALA  29 -16.230  -0.795  -2.578
  219   3HB   ALA  29           HB3      ALA  29 -16.336  -0.823  -4.335
  220    H    ILE  30           HN       ILE  30 -12.907   1.305  -3.121
  221    HA   ILE  30           HA       ILE  30 -13.223   1.611  -0.185
  222    HB   ILE  30           HB       ILE  30 -10.678   1.474  -1.825
  223   1HG1  ILE  30          HG12      ILE  30 -11.915  -0.588  -2.170
  224   2HG1  ILE  30          HG11      ILE  30 -10.607  -0.926  -1.050
  225   1HG2  ILE  30          HG23      ILE  30 -11.265   1.881   1.010
  226   2HG2  ILE  30          HG22      ILE  30 -10.233   0.480   0.754
  227   3HG2  ILE  30          HG21      ILE  30  -9.742   2.058   0.151
  228   1HD1  ILE  30           HD3      ILE  30 -12.416  -0.362   0.793
  229   2HD1  ILE  30           HD2      ILE  30 -13.561  -0.694  -0.501
  230   3HD1  ILE  30           HD1      ILE  30 -12.434  -1.942   0.020
  231    H    LYS  31           HN       LYS  31 -13.119   3.545   0.779
  232    HA   LYS  31           HA       LYS  31 -12.577   5.913  -0.908
  233   1HB   LYS  31           HB2      LYS  31 -14.569   5.851   0.580
  234   2HB   LYS  31           HB1      LYS  31 -13.502   5.755   1.972
  235   1HG   LYS  31           HG2      LYS  31 -13.205   7.997   1.951
  236   2HG   LYS  31           HG1      LYS  31 -12.617   7.924   0.296
  237   1HD   LYS  31           HD2      LYS  31 -15.584   7.868   0.932
  238   2HD   LYS  31           HD1      LYS  31 -14.704   9.375   0.725
  239   1HE   LYS  31           HE2      LYS  31 -14.708   7.153  -1.340
  240   2HE   LYS  31           HE1      LYS  31 -15.796   8.533  -1.391
  241   1HZ   LYS  31           HZ3      LYS  31 -13.245   9.540  -1.012
  242   2HZ   LYS  31           HZ2      LYS  31 -13.116   8.367  -2.233
  243   3HZ   LYS  31           HZ1      LYS  31 -14.211   9.653  -2.404
  244    H    GLY  32           HN       GLY  32 -10.702   6.974  -0.877
  245   1HA   GLY  32           HA2      GLY  32  -8.683   6.206   1.164
  246   2HA   GLY  32           HA1      GLY  32  -8.336   7.020  -0.358
  247    H    THR  33           HN       THR  33  -8.146   7.537   2.777
  248    HA   THR  33           HA       THR  33  -9.310  10.268   2.786
  249    HB   THR  33           HB       THR  33  -8.465  10.143   5.265
  250    HG1  THR  33           HG1      THR  33  -7.939   8.047   5.844
  251   1HG2  THR  33          HG22      THR  33 -10.673   8.600   3.970
  252   2HG2  THR  33          HG21      THR  33 -10.247   8.122   5.609
  253   3HG2  THR  33          HG23      THR  33 -10.763   9.772   5.280
  254    H    GLY  34           HN       GLY  34  -6.348   9.156   4.352
  255   1HA   GLY  34           HA2      GLY  34  -4.235  10.190   4.441
  256   2HA   GLY  34           HA1      GLY  34  -4.402  10.263   2.688
  257    H    VAL  35           HN       VAL  35  -3.172  12.283   2.917
  258    HA   VAL  35           HA       VAL  35  -3.877  14.570   4.323
  259    HB   VAL  35           HB       VAL  35  -3.182  14.787   1.404
  260   1HG1  VAL  35          HG11      VAL  35  -3.480  16.818   2.856
  261   2HG1  VAL  35          HG13      VAL  35  -2.178  16.226   3.884
  262   3HG1  VAL  35          HG12      VAL  35  -1.848  16.666   2.211
  263   1HG2  VAL  35          HG23      VAL  35  -1.512  13.678   3.666
  264   2HG2  VAL  35          HG22      VAL  35  -1.722  13.029   2.042
  265   3HG2  VAL  35          HG21      VAL  35  -0.760  14.482   2.292
  266    H    GLY  36           HN       GLY  36  -5.457  13.209   1.509
  267   1HA   GLY  36           HA2      GLY  36  -8.000  14.205   1.975
  268   2HA   GLY  36           HA1      GLY  36  -7.203  15.497   1.083
  269    H    GLY  37           HN       GLY  37  -6.542  12.081   0.632
  270   1HA   GLY  37           HA2      GLY  37  -8.203  11.177  -1.300
  271   2HA   GLY  37           HA1      GLY  37  -7.267  12.358  -2.214
  272    NH1  ARG  38           NH2      ARG  38   1.846  12.199  -0.916
  273    NH2  ARG  38           NH1      ARG  38   1.680  11.331  -3.023
  274    H    ARG  38           HN       ARG  38  -4.958  11.660  -0.306
  275    HA   ARG  38           HA       ARG  38  -3.613   9.844  -2.052
  276   1HB   ARG  38           HB2      ARG  38  -3.080  10.977   0.658
  277   2HB   ARG  38           HB1      ARG  38  -2.119   9.598   0.141
  278   1HG   ARG  38           HG2      ARG  38  -2.508  11.958  -1.700
  279   2HG   ARG  38           HG1      ARG  38  -1.277  12.010  -0.444
  280   1HD   ARG  38           HD2      ARG  38  -1.298   9.507  -2.031
  281   2HD   ARG  38           HD1      ARG  38  -0.872  10.952  -2.944
  282    HE   ARG  38           HE       ARG  38   0.647   9.867  -0.636
  283   1HH1  ARG  38          HH21      ARG  38   1.552  12.190   0.039
  284   2HH1  ARG  38          HH22      ARG  38   2.535  12.856  -1.221
  285   1HH2  ARG  38          HH11      ARG  38   1.262  10.669  -3.646
  286   2HH2  ARG  38          HH12      ARG  38   2.367  11.973  -3.363
  287    H    LEU  39           HN       LEU  39  -4.462   7.859  -2.373
  288    HA   LEU  39           HA       LEU  39  -5.802   6.321  -0.346
  289   1HB   LEU  39           HB2      LEU  39  -6.192   5.962  -2.755
  290   2HB   LEU  39           HB1      LEU  39  -4.530   5.427  -2.952
  291    HG   LEU  39           HG       LEU  39  -4.956   3.525  -1.409
  292   1HD1  LEU  39          HD11      LEU  39  -7.593   4.943  -1.161
  293   2HD1  LEU  39          HD13      LEU  39  -7.565   3.187  -1.031
  294   3HD1  LEU  39          HD12      LEU  39  -6.626   4.168   0.091
  295   1HD2  LEU  39          HD21      LEU  39  -5.584   3.603  -3.981
  296   2HD2  LEU  39          HD23      LEU  39  -6.047   2.218  -3.000
  297   3HD2  LEU  39          HD22      LEU  39  -7.230   3.469  -3.369
  298    H    THR  40           HN       THR  40  -4.798   5.563   1.414
  299    HA   THR  40           HA       THR  40  -1.940   4.772   1.231
  300    HB   THR  40           HB       THR  40  -2.051   4.737   3.737
  301    HG1  THR  40           HG1      THR  40  -4.712   5.608   3.264
  302   1HG2  THR  40          HG22      THR  40  -2.443   7.044   2.089
  303   2HG2  THR  40          HG21      THR  40  -3.522   7.206   3.470
  304   3HG2  THR  40          HG23      THR  40  -1.792   7.004   3.724
  305    NH1  ARG  41           NH2      ARG  41  -0.110  -1.662   7.160
  306    NH2  ARG  41           NH1      ARG  41   1.708  -0.560   6.324
  307    H    ARG  41           HN       ARG  41  -1.822   2.913   3.269
  308    HA   ARG  41           HA       ARG  41  -3.106   0.583   1.946
  309   1HB   ARG  41           HB2      ARG  41  -0.661   0.521   2.347
  310   2HB   ARG  41           HB1      ARG  41  -0.952   0.679   4.076
  311   1HG   ARG  41           HG2      ARG  41  -2.590  -1.450   3.003
  312   2HG   ARG  41           HG1      ARG  41  -0.907  -1.713   2.559
  313   1HD   ARG  41           HD2      ARG  41  -1.825  -1.066   5.381
  314   2HD   ARG  41           HD1      ARG  41  -1.521  -2.701   4.797
  315    HE   ARG  41           HE       ARG  41   0.842  -1.554   4.208
  316   1HH1  ARG  41          HH21      ARG  41  -0.952  -2.174   6.993
  317   2HH1  ARG  41          HH22      ARG  41   0.186  -1.479   8.097
  318   1HH2  ARG  41          HH11      ARG  41   2.229  -0.246   5.530
  319   2HH2  ARG  41          HH12      ARG  41   2.035  -0.358   7.247
  320    H    GLU  42           HN       GLU  42  -3.017   2.317   4.983
  321    HA   GLU  42           HA       GLU  42  -4.405   0.367   6.569
  322   1HB   GLU  42           HB2      GLU  42  -4.218   3.378   6.814
  323   2HB   GLU  42           HB1      GLU  42  -4.948   2.342   8.034
  324   1HG   GLU  42           HG2      GLU  42  -2.818   1.096   8.252
  325   2HG   GLU  42           HG1      GLU  42  -2.087   2.135   7.032
  326    H    ASP  43           HN       ASP  43  -5.439   1.864   3.858
  327    HA   ASP  43           HA       ASP  43  -8.234   2.260   4.776
  328   1HB   ASP  43           HB2      ASP  43  -6.720   2.967   2.274
  329   2HB   ASP  43           HB1      ASP  43  -8.482   2.958   2.277
  330    H    VAL  44           HN       VAL  44  -6.416   0.422   2.343
  331    HA   VAL  44           HA       VAL  44  -8.776  -1.202   1.693
  332    HB   VAL  44           HB       VAL  44  -5.946  -1.797   0.838
  333   1HG1  VAL  44          HG12      VAL  44  -7.773  -3.402   0.288
  334   2HG1  VAL  44          HG11      VAL  44  -8.651  -2.103  -0.513
  335   3HG1  VAL  44          HG13      VAL  44  -7.107  -2.650  -1.159
  336   1HG2  VAL  44          HG21      VAL  44  -7.840   0.350  -0.160
  337   2HG2  VAL  44          HG23      VAL  44  -6.168   0.544   0.358
  338   3HG2  VAL  44          HG22      VAL  44  -6.531  -0.289  -1.151
  339    H    GLU  45           HN       GLU  45  -6.357  -1.238   4.043
  340    HA   GLU  45           HA       GLU  45  -6.044  -4.100   4.346
  341   1HB   GLU  45           HB2      GLU  45  -4.489  -2.293   5.249
  342   2HB   GLU  45           HB1      GLU  45  -5.687  -2.018   6.508
  343   1HG   GLU  45           HG2      GLU  45  -5.540  -4.609   6.871
  344   2HG   GLU  45           HG1      GLU  45  -4.014  -4.475   6.002
  345    H    LYS  46           HN       LYS  46  -8.105  -1.666   5.884
  346    HA   LYS  46           HA       LYS  46  -9.376  -3.583   7.661
  347   1HB   LYS  46           HB2      LYS  46 -10.706  -1.783   8.394
  348   2HB   LYS  46           HB1      LYS  46  -9.194  -1.011   7.927
  349   1HG   LYS  46           HG2      LYS  46 -10.362  -0.833   5.563
  350   2HG   LYS  46           HG1      LYS  46 -11.840  -1.009   6.501
  351   1HD   LYS  46           HD2      LYS  46 -11.023   0.875   7.981
  352   2HD   LYS  46           HD1      LYS  46  -9.702   1.117   6.842
  353   1HE   LYS  46           HE2      LYS  46 -11.103   2.444   5.662
  354   2HE   LYS  46           HE1      LYS  46 -11.988   0.986   5.230
  355   1HZ   LYS  46           HZ3      LYS  46 -12.966   1.472   7.656
  356   2HZ   LYS  46           HZ2      LYS  46 -12.653   3.058   7.137
  357   3HZ   LYS  46           HZ1      LYS  46 -13.668   2.050   6.222
  358    H    HIS  47           HN       HIS  47  -9.378  -3.860   4.592
  359    HA   HIS  47           HA       HIS  47 -12.298  -4.485   4.369
  360   1HB   HIS  47           HB2      HIS  47 -11.842  -2.497   3.020
  361   2HB   HIS  47           HB1      HIS  47 -10.501  -3.319   2.226
  362    HD1  HIS  47           HD1      HIS  47 -14.083  -3.029   2.078
  363    HD2  HIS  47           HD2      HIS  47 -11.294  -5.547   0.544
  364    HE1  HIS  47           HE1      HIS  47 -15.238  -4.243   0.321
  365    H    LEU  48           HN       LEU  48  -9.083  -5.109   3.001
  366    HA   LEU  48           HA       LEU  48  -9.589  -7.396   1.503
  367   1HB   LEU  48           HB2      LEU  48  -7.260  -6.495   3.143
  368   2HB   LEU  48           HB1      LEU  48  -7.242  -8.135   2.506
  369    HG   LEU  48           HG       LEU  48  -7.996  -5.882   0.671
  370   1HD1  LEU  48          HD12      LEU  48  -5.164  -6.653   1.458
  371   2HD1  LEU  48          HD11      LEU  48  -5.581  -5.608   0.104
  372   3HD1  LEU  48          HD13      LEU  48  -5.931  -5.095   1.752
  373   1HD2  LEU  48          HD23      LEU  48  -7.914  -8.528   0.287
  374   2HD2  LEU  48          HD22      LEU  48  -7.446  -7.407  -0.988
  375   3HD2  LEU  48          HD21      LEU  48  -6.210  -8.188  -0.006
  376    H    ALA  49           HN       ALA  49 -10.898  -9.017   2.117
  377    HA   ALA  49           HA       ALA  49 -11.154  -9.888   4.871
  378   1HB   ALA  49           HB3      ALA  49 -12.752 -10.110   2.703
  379   2HB   ALA  49           HB2      ALA  49 -12.015 -11.708   2.692
  380   3HB   ALA  49           HB1      ALA  49 -12.900 -11.158   4.110
  381    H    LYS  50           HN       LYS  50 -11.213 -12.652   4.665
  382    HA   LYS  50           HA       LYS  50  -8.696 -13.661   3.600
  383   1HB   LYS  50           HB2      LYS  50  -8.524 -12.391   6.064
  384   2HB   LYS  50           HB1      LYS  50  -8.648 -14.094   6.487
  385   1HG   LYS  50           HG2      LYS  50  -6.813 -14.600   4.877
  386   2HG   LYS  50           HG1      LYS  50  -6.664 -12.881   4.533
  387   1HD   LYS  50           HD2      LYS  50  -6.278 -12.521   7.018
  388   2HD   LYS  50           HD1      LYS  50  -6.181 -14.270   7.185
  389   1HE   LYS  50           HE2      LYS  50  -4.445 -12.635   5.306
  390   2HE   LYS  50           HE1      LYS  50  -3.935 -13.181   6.898
  391   1HZ   LYS  50           HZ2      LYS  50  -4.867 -15.007   4.759
  392   2HZ   LYS  50           HZ1      LYS  50  -3.234 -14.630   5.033
  393   3HZ   LYS  50           HZ3      LYS  50  -4.133 -15.432   6.231
  394    H    ALA  51           HN       ALA  51 -11.754 -14.118   4.152
  395    HA   ALA  51           HA       ALA  51 -11.487 -17.049   4.264
  396   1HB   ALA  51           HB2      ALA  51 -13.015 -15.475   6.349
  397   2HB   ALA  51           HB1      ALA  51 -13.221 -17.205   6.091
  398   3HB   ALA  51           HB3      ALA  51 -11.666 -16.574   6.624
   
 Raw file had 398 H/Q atoms
  Start of MODEL   44
    1    OH   TYR   1           OH       TYR   1  29.430   7.314  -7.683
    2   1H    TYR   1           HT2      TYR   1  23.266   7.739  -2.477
    3   2H    TYR   1           HT1      TYR   1  24.157   6.335  -2.130
    4   3H    TYR   1           HT3      TYR   1  24.964   7.793  -2.458
    5    HA   TYR   1           HA       TYR   1  24.522   7.718  -4.700
    6   1HB   TYR   1           HB2      TYR   1  25.464   5.300  -3.461
    7   2HB   TYR   1           HB1      TYR   1  24.533   4.890  -4.900
    8    HD1  TYR   1           HD1      TYR   1  27.178   7.282  -3.757
    9    HD2  TYR   1           HD2      TYR   1  25.575   5.042  -6.998
   10    HE1  TYR   1           HE1      TYR   1  29.051   7.990  -5.172
   11    HE2  TYR   1           HE2      TYR   1  27.449   5.749  -8.413
   12    HH   TYR   1           HH       TYR   1  29.211   8.169  -8.061
   13    H    ALA   2           HN       ALA   2  23.420   6.100  -6.436
   14    HA   ALA   2           HA       ALA   2  20.658   5.446  -5.590
   15   1HB   ALA   2           HB3      ALA   2  21.336   7.477  -7.730
   16   2HB   ALA   2           HB2      ALA   2  19.736   6.768  -7.526
   17   3HB   ALA   2           HB1      ALA   2  20.430   7.761  -6.248
   18    H    SER   3           HN       SER   3  21.320   3.290  -6.054
   19    HA   SER   3           HA       SER   3  22.224   2.605  -8.754
   20   1HB   SER   3           HB2      SER   3  22.905   1.323  -6.678
   21   2HB   SER   3           HB1      SER   3  21.245   0.701  -6.604
   22    HG   SER   3           HG1      SER   3  21.567  -0.418  -8.378
   23    H    LEU   4           HN       LEU   4  20.387   0.101  -8.291
   24    HA   LEU   4           HA       LEU   4  18.387   0.897 -10.222
   25   1HB   LEU   4           HB2      LEU   4  18.603  -1.577  -8.489
   26   2HB   LEU   4           HB1      LEU   4  17.453  -1.379  -9.806
   27    HG   LEU   4           HG       LEU   4  20.335  -0.837 -10.399
   28   1HD1  LEU   4          HD12      LEU   4  19.125  -3.592  -9.996
   29   2HD1  LEU   4          HD11      LEU   4  20.619  -3.305 -10.881
   30   3HD1  LEU   4          HD13      LEU   4  20.523  -2.919  -9.166
   31   1HD2  LEU   4          HD21      LEU   4  18.254  -0.667 -11.969
   32   2HD2  LEU   4          HD23      LEU   4  19.696  -1.471 -12.582
   33   3HD2  LEU   4          HD22      LEU   4  18.333  -2.425 -12.005
   34    H    GLU   5           HN       GLU   5  18.236   0.073  -6.768
   35    HA   GLU   5           HA       GLU   5  15.444   1.061  -6.664
   36   1HB   GLU   5           HB2      GLU   5  16.577  -1.048  -5.435
   37   2HB   GLU   5           HB1      GLU   5  16.846   0.174  -4.197
   38   1HG   GLU   5           HG2      GLU   5  14.706  -0.637  -3.644
   39   2HG   GLU   5           HG1      GLU   5  14.326   0.783  -4.616
   40    H    GLU   6           HN       GLU   6  15.252   3.211  -6.478
   41    HA   GLU   6           HA       GLU   6  17.287   4.727  -4.940
   42   1HB   GLU   6           HB2      GLU   6  16.739   5.674  -7.089
   43   2HB   GLU   6           HB1      GLU   6  15.016   5.596  -6.740
   44   1HG   GLU   6           HG2      GLU   6  15.156   7.317  -5.105
   45   2HG   GLU   6           HG1      GLU   6  16.907   7.170  -4.981
   46    H    GLN   7           HN       GLN   7  16.756   6.025  -3.170
   47    HA   GLN   7           HA       GLN   7  14.421   5.090  -1.645
   48   1HB   GLN   7           HB2      GLN   7  16.362   7.236  -0.792
   49   2HB   GLN   7           HB1      GLN   7  15.408   6.164   0.227
   50   1HG   GLN   7           HG2      GLN   7  17.302   4.894   0.310
   51   2HG   GLN   7           HG1      GLN   7  16.832   4.367  -1.304
   52   1HE2  GLN   7          HE22      GLN   7  19.032   7.179  -2.615
   53   2HE2  GLN   7          HE21      GLN   7  17.345   6.988  -2.571
   54    H    ASN   8           HN       ASN   8  12.538   5.979  -2.309
   55    HA   ASN   8           HA       ASN   8  12.191   8.870  -1.956
   56   1HB   ASN   8           HB2      ASN   8  13.023   8.615  -4.318
   57   2HB   ASN   8           HB1      ASN   8  11.592   7.646  -4.660
   58   1HD2  ASN   8          HD22      ASN   8  10.510  10.984  -5.627
   59   2HD2  ASN   8          HD21      ASN   8  11.430   9.690  -6.229
   60    H    ASN   9           HN       ASN   9  10.971   5.687  -2.461
   61    HA   ASN   9           HA       ASN   9   8.151   6.456  -2.397
   62   1HB   ASN   9           HB2      ASN   9   9.236   3.701  -1.819
   63   2HB   ASN   9           HB1      ASN   9   7.685   4.138  -2.532
   64   1HD2  ASN   9          HD22      ASN   9   9.001   4.583  -5.806
   65   2HD2  ASN   9          HD21      ASN   9   7.685   4.900  -4.781
   66    H    ASP  10           HN       ASP  10   8.576   7.798  -0.385
   67    HA   ASP  10           HA       ASP  10   8.771   6.215   2.100
   68   1HB   ASP  10           HB2      ASP  10   9.011   8.301   3.234
   69   2HB   ASP  10           HB1      ASP  10   9.920   8.475   1.734
   70    H    ALA  11           HN       ALA  11   6.394   7.404   0.028
   71    HA   ALA  11           HA       ALA  11   4.314   7.396   2.168
   72   1HB   ALA  11           HB2      ALA  11   4.363   8.463  -0.655
   73   2HB   ALA  11           HB1      ALA  11   2.864   8.303   0.255
   74   3HB   ALA  11           HB3      ALA  11   4.141   9.363   0.842
   75    H    LEU  12           HN       LEU  12   3.701   6.710  -1.195
   76    HA   LEU  12           HA       LEU  12   2.308   4.240  -0.474
   77   1HB   LEU  12           HB2      LEU  12   2.892   5.464  -3.187
   78   2HB   LEU  12           HB1      LEU  12   1.795   4.120  -2.892
   79    HG   LEU  12           HG       LEU  12   1.350   6.564  -1.244
   80   1HD1  LEU  12          HD11      LEU  12   0.705   6.418  -4.210
   81   2HD1  LEU  12          HD13      LEU  12   0.081   7.639  -3.106
   82   3HD1  LEU  12          HD12      LEU  12   1.806   7.559  -3.447
   83   1HD2  LEU  12          HD22      LEU  12  -0.013   4.371  -1.296
   84   2HD2  LEU  12          HD21      LEU  12  -0.921   5.875  -1.405
   85   3HD2  LEU  12          HD23      LEU  12  -0.614   4.925  -2.856
   86    H    SER  13           HN       SER  13   2.810   2.454  -2.422
   87    HA   SER  13           HA       SER  13   5.720   2.082  -2.659
   88   1HB   SER  13           HB2      SER  13   5.917   0.625  -0.931
   89   2HB   SER  13           HB1      SER  13   4.187   0.806  -0.580
   90    HG   SER  13           HG1      SER  13   4.190  -1.205  -1.292
   91    HA   PRO  14           HA       PRO  14   4.770   0.009  -6.420
   92   1HB   PRO  14           HB2      PRO  14   6.310  -2.368  -6.038
   93   2HB   PRO  14           HB1      PRO  14   6.761  -0.926  -6.949
   94   1HG   PRO  14           HG2      PRO  14   7.748  -1.795  -4.340
   95   2HG   PRO  14           HG1      PRO  14   8.311  -0.443  -5.323
   96   1HD   PRO  14           HD1      PRO  14   6.782  -0.289  -2.914
   97   2HD   PRO  14           HD2      PRO  14   7.203   1.045  -4.001
   98    H    ALA  15           HN       ALA  15   4.926  -2.263  -3.690
   99    HA   ALA  15           HA       ALA  15   3.337  -4.343  -4.663
  100   1HB   ALA  15           HB2      ALA  15   4.272  -3.480  -2.120
  101   2HB   ALA  15           HB1      ALA  15   2.557  -3.842  -1.952
  102   3HB   ALA  15           HB3      ALA  15   3.660  -5.071  -2.562
  103    H    ILE  16           HN       ILE  16   2.396  -1.123  -4.093
  104    HA   ILE  16           HA       ILE  16  -0.404  -1.591  -3.518
  105    HB   ILE  16           HB       ILE  16   1.035   0.574  -3.211
  106   1HG1  ILE  16          HG12      ILE  16  -1.797   0.658  -4.307
  107   2HG1  ILE  16          HG11      ILE  16  -1.361   0.365  -2.627
  108   1HG2  ILE  16          HG21      ILE  16   1.468   0.520  -5.787
  109   2HG2  ILE  16          HG23      ILE  16  -0.144   1.219  -5.906
  110   3HG2  ILE  16          HG22      ILE  16   1.121   2.069  -5.025
  111   1HD1  ILE  16           HD1      ILE  16  -0.046   2.636  -2.872
  112   2HD1  ILE  16           HD3      ILE  16  -1.141   2.904  -4.225
  113   3HD1  ILE  16           HD2      ILE  16  -1.786   2.667  -2.603
  114    NH1  ARG  17           NH1      ARG  17   2.307   2.632  -8.688
  115    NH2  ARG  17           NH2      ARG  17   4.361   2.086  -9.528
  116    H    ARG  17           HN       ARG  17   1.349  -2.279  -6.209
  117    HA   ARG  17           HA       ARG  17  -0.838  -1.620  -8.119
  118   1HB   ARG  17           HB2      ARG  17   2.036  -2.470  -8.465
  119   2HB   ARG  17           HB1      ARG  17   0.898  -2.502  -9.806
  120   1HG   ARG  17           HG2      ARG  17   0.393  -0.094  -9.405
  121   2HG   ARG  17           HG1      ARG  17   1.588  -0.076  -8.112
  122   1HD   ARG  17           HD2      ARG  17   3.370  -0.624  -9.683
  123   2HD   ARG  17           HD1      ARG  17   2.204  -0.835 -10.988
  124    HE   ARG  17           HE       ARG  17   2.124   1.517 -11.218
  125   1HH1  ARG  17          HH11      ARG  17   1.314   2.518  -8.713
  126   2HH1  ARG  17          HH12      ARG  17   2.723   3.252  -8.023
  127   1HH2  ARG  17          HH21      ARG  17   4.907   1.563 -10.182
  128   2HH2  ARG  17          HH22      ARG  17   4.811   2.697  -8.876
  129    NH1  ARG  18           NH1      ARG  18   6.131  -7.610  -7.330
  130    NH2  ARG  18           NH2      ARG  18   6.812  -6.658  -9.293
  131    H    ARG  18           HN       ARG  18   1.134  -4.351  -7.019
  132    HA   ARG  18           HA       ARG  18  -0.489  -6.294  -8.470
  133   1HB   ARG  18           HB2      ARG  18   1.525  -6.733  -6.247
  134   2HB   ARG  18           HB1      ARG  18   0.895  -7.966  -7.333
  135   1HG   ARG  18           HG2      ARG  18   1.919  -6.898  -9.252
  136   2HG   ARG  18           HG1      ARG  18   2.377  -5.497  -8.290
  137   1HD   ARG  18           HD2      ARG  18   3.781  -7.037  -6.857
  138   2HD   ARG  18           HD1      ARG  18   3.438  -8.327  -8.007
  139    HE   ARG  18           HE       ARG  18   4.413  -6.247  -9.577
  140   1HH1  ARG  18          HH11      ARG  18   5.384  -7.868  -6.717
  141   2HH1  ARG  18          HH12      ARG  18   7.077  -7.811  -7.077
  142   1HH2  ARG  18          HH21      ARG  18   6.575  -6.201 -10.151
  143   2HH2  ARG  18          HH22      ARG  18   7.769  -6.842  -9.072
  144    H    LEU  19           HN       LEU  19  -1.406  -4.409  -6.123
  145    HA   LEU  19           HA       LEU  19  -2.535  -6.428  -4.283
  146   1HB   LEU  19           HB2      LEU  19  -1.599  -4.162  -3.548
  147   2HB   LEU  19           HB1      LEU  19  -3.044  -3.450  -4.256
  148    HG   LEU  19           HG       LEU  19  -4.187  -5.423  -2.791
  149   1HD1  LEU  19          HD11      LEU  19  -1.892  -6.082  -1.945
  150   2HD1  LEU  19          HD13      LEU  19  -1.801  -4.513  -1.150
  151   3HD1  LEU  19          HD12      LEU  19  -3.037  -5.673  -0.671
  152   1HD2  LEU  19          HD21      LEU  19  -3.311  -2.700  -1.766
  153   2HD2  LEU  19          HD23      LEU  19  -4.761  -3.023  -2.711
  154   3HD2  LEU  19          HD22      LEU  19  -4.609  -3.670  -1.080
  155    H    LEU  20           HN       LEU  20  -3.756  -3.831  -6.390
  156    HA   LEU  20           HA       LEU  20  -6.508  -4.748  -6.150
  157   1HB   LEU  20           HB2      LEU  20  -5.081  -2.666  -7.769
  158   2HB   LEU  20           HB1      LEU  20  -6.723  -3.123  -8.208
  159    HG   LEU  20           HG       LEU  20  -6.146  -2.552  -5.324
  160   1HD1  LEU  20          HD11      LEU  20  -6.389  -0.484  -7.528
  161   2HD1  LEU  20          HD13      LEU  20  -6.689  -0.116  -5.833
  162   3HD1  LEU  20          HD12      LEU  20  -5.091  -0.641  -6.351
  163   1HD2  LEU  20          HD23      LEU  20  -8.379  -3.314  -6.545
  164   2HD2  LEU  20          HD22      LEU  20  -8.438  -2.132  -5.240
  165   3HD2  LEU  20          HD21      LEU  20  -8.504  -1.597  -6.916
  166    H    ALA  21           HN       ALA  21  -3.856  -5.827  -7.893
  167    HA   ALA  21           HA       ALA  21  -5.491  -6.862 -10.146
  168   1HB   ALA  21           HB1      ALA  21  -2.586  -6.466  -9.637
  169   2HB   ALA  21           HB3      ALA  21  -3.037  -7.808 -10.684
  170   3HB   ALA  21           HB2      ALA  21  -3.519  -6.166 -11.100
  171    H    GLU  22           HN       GLU  22  -4.428  -7.804  -7.098
  172    HA   GLU  22           HA       GLU  22  -4.374 -10.692  -7.788
  173   1HB   GLU  22           HB2      GLU  22  -2.624  -9.824  -6.281
  174   2HB   GLU  22           HB1      GLU  22  -3.863  -9.286  -5.153
  175   1HG   GLU  22           HG2      GLU  22  -4.472 -11.484  -4.575
  176   2HG   GLU  22           HG1      GLU  22  -3.794 -12.162  -6.053
  177    H    HIS  23           HN       HIS  23  -6.159  -8.387  -5.783
  178    HA   HIS  23           HA       HIS  23  -8.201 -10.489  -5.232
  179   1HB   HIS  23           HB2      HIS  23  -8.312  -7.757  -4.016
  180   2HB   HIS  23           HB1      HIS  23  -8.786  -9.307  -3.324
  181    HD1  HIS  23           HD1      HIS  23  -6.375 -10.872  -3.374
  182    HD2  HIS  23           HD2      HIS  23  -6.099  -6.881  -2.694
  183    HE1  HIS  23           HE1      HIS  23  -4.237 -10.576  -2.264
  184    H    ASN  24           HN       ASN  24  -7.758  -7.324  -6.687
  185    HA   ASN  24           HA       ASN  24  -9.146  -6.106  -8.140
  186   1HB   ASN  24           HB2      ASN  24  -9.452  -8.830  -8.801
  187   2HB   ASN  24           HB1      ASN  24 -11.080  -8.159  -8.774
  188   1HD2  ASN  24          HD22      ASN  24 -10.159  -5.624 -11.291
  189   2HD2  ASN  24          HD21      ASN  24 -10.882  -5.652  -9.756
  190    H    LEU  25           HN       LEU  25 -10.179  -4.686  -6.815
  191    HA   LEU  25           HA       LEU  25 -12.915  -5.460  -5.927
  192   1HB   LEU  25           HB2      LEU  25 -10.662  -4.478  -4.224
  193   2HB   LEU  25           HB1      LEU  25 -12.291  -3.937  -3.842
  194    HG   LEU  25           HG       LEU  25 -11.865  -6.857  -4.368
  195   1HD1  LEU  25          HD11      LEU  25 -10.970  -5.333  -1.914
  196   2HD1  LEU  25          HD13      LEU  25 -11.421  -7.033  -1.828
  197   3HD1  LEU  25          HD12      LEU  25 -10.070  -6.530  -2.838
  198   1HD2  LEU  25          HD21      LEU  25 -14.120  -5.822  -3.946
  199   2HD2  LEU  25          HD23      LEU  25 -13.689  -7.046  -2.758
  200   3HD2  LEU  25          HD22      LEU  25 -13.553  -5.338  -2.351
  201    H    ASP  26           HN       ASP  26 -14.040  -3.364  -5.063
  202    HA   ASP  26           HA       ASP  26 -13.629  -1.307  -7.167
  203   1HB   ASP  26           HB2      ASP  26 -15.915  -1.847  -5.257
  204   2HB   ASP  26           HB1      ASP  26 -15.873  -0.474  -6.360
  205    H    ALA  27           HN       ALA  27 -13.136   0.801  -6.712
  206    HA   ALA  27           HA       ALA  27 -12.017   1.330  -4.048
  207   1HB   ALA  27           HB1      ALA  27 -12.192   3.088  -6.510
  208   2HB   ALA  27           HB3      ALA  27 -11.274   3.464  -5.055
  209   3HB   ALA  27           HB2      ALA  27 -10.814   2.089  -6.055
  210    H    SER  28           HN       SER  28 -14.690   2.475  -6.045
  211    HA   SER  28           HA       SER  28 -15.580   4.635  -4.480
  212   1HB   SER  28           HB2      SER  28 -17.903   3.251  -5.359
  213   2HB   SER  28           HB1      SER  28 -17.086   4.597  -6.177
  214    HG   SER  28           HG1      SER  28 -15.683   3.111  -7.125
  215    H    ALA  29           HN       ALA  29 -15.838   1.209  -3.907
  216    HA   ALA  29           HA       ALA  29 -17.831   1.421  -1.803
  217   1HB   ALA  29           HB1      ALA  29 -17.407  -0.668  -3.113
  218   2HB   ALA  29           HB3      ALA  29 -15.846  -0.811  -2.311
  219   3HB   ALA  29           HB2      ALA  29 -17.331  -0.922  -1.372
  220    H    ILE  30           HN       ILE  30 -14.384   1.715  -1.990
  221    HA   ILE  30           HA       ILE  30 -14.015   1.444   0.914
  222    HB   ILE  30           HB       ILE  30 -12.052   2.405  -1.186
  223   1HG1  ILE  30          HG12      ILE  30 -12.829   0.178  -1.793
  224   2HG1  ILE  30          HG11      ILE  30 -11.210   0.037  -1.127
  225   1HG2  ILE  30          HG23      ILE  30 -11.900   1.869   1.730
  226   2HG2  ILE  30          HG22      ILE  30 -10.586   1.194   0.777
  227   3HG2  ILE  30          HG21      ILE  30 -10.910   2.923   0.728
  228   1HD1  ILE  30           HD3      ILE  30 -12.489  -0.347   1.156
  229   2HD1  ILE  30           HD2      ILE  30 -13.841  -0.753   0.108
  230   3HD1  ILE  30           HD1      ILE  30 -12.344  -1.673   0.011
  231    H    LYS  31           HN       LYS  31 -13.973   3.082   2.350
  232    HA   LYS  31           HA       LYS  31 -14.578   5.795   1.340
  233   1HB   LYS  31           HB2      LYS  31 -14.459   4.748   4.180
  234   2HB   LYS  31           HB1      LYS  31 -15.073   6.322   3.687
  235   1HG   LYS  31           HG2      LYS  31 -16.634   4.918   2.104
  236   2HG   LYS  31           HG1      LYS  31 -16.258   3.597   3.203
  237   1HD   LYS  31           HD2      LYS  31 -16.859   5.344   5.076
  238   2HD   LYS  31           HD1      LYS  31 -17.702   6.176   3.773
  239   1HE   LYS  31           HE2      LYS  31 -18.161   3.335   4.731
  240   2HE   LYS  31           HE1      LYS  31 -19.287   4.683   4.829
  241   1HZ   LYS  31           HZ2      LYS  31 -18.535   4.437   2.168
  242   2HZ   LYS  31           HZ1      LYS  31 -18.896   2.871   2.720
  243   3HZ   LYS  31           HZ3      LYS  31 -20.051   4.109   2.859
  244    H    GLY  32           HN       GLY  32 -12.555   6.425   0.516
  245   1HA   GLY  32           HA2      GLY  32 -10.084   6.217   1.932
  246   2HA   GLY  32           HA1      GLY  32 -10.408   7.370   0.640
  247    H    THR  33           HN       THR  33 -10.204   6.885   4.047
  248    HA   THR  33           HA       THR  33 -11.436   9.385   4.842
  249    HB   THR  33           HB       THR  33 -10.265   8.900   7.054
  250    HG1  THR  33           HG1      THR  33  -8.714   7.646   5.395
  251   1HG2  THR  33          HG22      THR  33 -11.788   6.696   5.626
  252   2HG2  THR  33          HG21      THR  33 -11.256   6.520   7.295
  253   3HG2  THR  33          HG23      THR  33 -12.397   7.790   6.865
  254    H    GLY  34           HN       GLY  34  -8.560   8.670   3.281
  255   1HA   GLY  34           HA2      GLY  34  -6.590  10.308   4.339
  256   2HA   GLY  34           HA1      GLY  34  -6.829  10.124   2.604
  257    H    VAL  35           HN       VAL  35  -5.913  12.505   3.753
  258    HA   VAL  35           HA       VAL  35  -8.007  14.413   4.221
  259    HB   VAL  35           HB       VAL  35  -5.191  14.848   3.188
  260   1HG1  VAL  35          HG11      VAL  35  -7.346  16.698   4.228
  261   2HG1  VAL  35          HG13      VAL  35  -5.642  17.136   4.318
  262   3HG1  VAL  35          HG12      VAL  35  -6.398  16.851   2.752
  263   1HG2  VAL  35          HG21      VAL  35  -5.953  13.778   5.599
  264   2HG2  VAL  35          HG23      VAL  35  -4.479  14.708   5.356
  265   3HG2  VAL  35          HG22      VAL  35  -5.925  15.496   5.979
  266    H    GLY  36           HN       GLY  36  -9.492  15.040   2.795
  267   1HA   GLY  36           HA2      GLY  36 -10.172  16.142   0.766
  268   2HA   GLY  36           HA1      GLY  36  -8.650  15.659   0.023
  269    H    GLY  37           HN       GLY  37  -9.527  12.949   1.487
  270   1HA   GLY  37           HA2      GLY  37 -11.009  11.142   0.905
  271   2HA   GLY  37           HA1      GLY  37 -11.542  12.066  -0.496
  272    NH1  ARG  38           NH2      ARG  38  -6.536  15.542  -1.792
  273    NH2  ARG  38           NH1      ARG  38  -5.612  16.592  -3.599
  274    H    ARG  38           HN       ARG  38  -8.170  12.007  -0.006
  275    HA   ARG  38           HA       ARG  38  -7.726  10.609  -2.502
  276   1HB   ARG  38           HB2      ARG  38  -5.954  11.699  -0.335
  277   2HB   ARG  38           HB1      ARG  38  -5.273  10.676  -1.594
  278   1HG   ARG  38           HG2      ARG  38  -5.983  12.181  -3.325
  279   2HG   ARG  38           HG1      ARG  38  -6.996  13.090  -2.210
  280   1HD   ARG  38           HD2      ARG  38  -4.995  13.832  -0.972
  281   2HD   ARG  38           HD1      ARG  38  -3.967  12.888  -2.050
  282    HE   ARG  38           HE       ARG  38  -4.234  14.571  -3.695
  283   1HH1  ARG  38          HH21      ARG  38  -6.557  14.751  -1.180
  284   2HH1  ARG  38          HH22      ARG  38  -7.170  16.302  -1.650
  285   1HH2  ARG  38          HH11      ARG  38  -4.943  16.589  -4.342
  286   2HH2  ARG  38          HH12      ARG  38  -6.231  17.371  -3.488
  287    H    LEU  39           HN       LEU  39  -8.077   8.480  -2.659
  288    HA   LEU  39           HA       LEU  39  -8.153   6.627  -0.525
  289   1HB   LEU  39           HB2      LEU  39  -9.072   6.195  -2.796
  290   2HB   LEU  39           HB1      LEU  39  -7.434   6.083  -3.422
  291    HG   LEU  39           HG       LEU  39  -6.988   4.170  -1.886
  292   1HD1  LEU  39          HD11      LEU  39  -9.757   4.885  -0.986
  293   2HD1  LEU  39          HD13      LEU  39  -9.301   3.184  -0.984
  294   3HD1  LEU  39          HD12      LEU  39  -8.380   4.344  -0.032
  295   1HD2  LEU  39          HD21      LEU  39  -7.855   3.787  -4.191
  296   2HD2  LEU  39          HD23      LEU  39  -8.391   2.540  -3.070
  297   3HD2  LEU  39          HD22      LEU  39  -9.498   3.819  -3.557
  298    H    THR  40           HN       THR  40  -6.654   5.061   0.195
  299    HA   THR  40           HA       THR  40  -3.804   5.532  -0.566
  300    HB   THR  40           HB       THR  40  -3.215   5.318   1.896
  301    HG1  THR  40           HG1      THR  40  -6.004   5.733   2.190
  302   1HG2  THR  40          HG21      THR  40  -5.226   7.501   1.217
  303   2HG2  THR  40          HG23      THR  40  -4.139   7.527   2.602
  304   3HG2  THR  40          HG22      THR  40  -3.487   7.616   0.969
  305    NH1  ARG  41           NH1      ARG  41   1.132  -1.179   2.578
  306    NH2  ARG  41           NH2      ARG  41   1.983  -3.064   1.606
  307    H    ARG  41           HN       ARG  41  -2.576   3.714   1.008
  308    HA   ARG  41           HA       ARG  41  -3.641   1.172  -0.086
  309   1HB   ARG  41           HB2      ARG  41  -1.244   1.808  -0.436
  310   2HB   ARG  41           HB1      ARG  41  -1.003   1.693   1.303
  311   1HG   ARG  41           HG2      ARG  41  -1.721  -0.671   1.252
  312   2HG   ARG  41           HG1      ARG  41  -1.985  -0.558  -0.484
  313   1HD   ARG  41           HD2      ARG  41   0.301  -0.430  -0.958
  314   2HD   ARG  41           HD1      ARG  41   0.697   0.210   0.636
  315    HE   ARG  41           HE       ARG  41  -0.024  -2.650   0.132
  316   1HH1  ARG  41          HH11      ARG  41   0.498  -0.407   2.537
  317   2HH1  ARG  41          HH12      ARG  41   1.735  -1.290   3.368
  318   1HH2  ARG  41          HH21      ARG  41   1.986  -3.705   0.839
  319   2HH2  ARG  41          HH22      ARG  41   2.600  -3.207   2.380
  320    H    GLU  42           HN       GLU  42  -3.062   2.797   2.938
  321    HA   GLU  42           HA       GLU  42  -3.391   0.438   4.602
  322   1HB   GLU  42           HB2      GLU  42  -3.645   3.379   5.280
  323   2HB   GLU  42           HB1      GLU  42  -3.571   2.073   6.456
  324   1HG   GLU  42           HG2      GLU  42  -1.350   1.399   5.456
  325   2HG   GLU  42           HG1      GLU  42  -1.416   2.854   4.465
  326    H    ASP  43           HN       ASP  43  -5.500   1.472   2.551
  327    HA   ASP  43           HA       ASP  43  -7.833   1.099   4.390
  328   1HB   ASP  43           HB2      ASP  43  -7.544   3.052   2.100
  329   2HB   ASP  43           HB1      ASP  43  -9.095   2.645   2.830
  330    H    VAL  44           HN       VAL  44  -6.202   0.202   1.536
  331    HA   VAL  44           HA       VAL  44  -8.604  -1.212   0.472
  332    HB   VAL  44           HB       VAL  44  -5.885  -0.769  -0.788
  333   1HG1  VAL  44          HG13      VAL  44  -8.484  -1.951  -1.821
  334   2HG1  VAL  44          HG12      VAL  44  -7.141  -1.490  -2.861
  335   3HG1  VAL  44          HG11      VAL  44  -6.935  -2.774  -1.673
  336   1HG2  VAL  44          HG21      VAL  44  -7.381   1.272  -0.406
  337   2HG2  VAL  44          HG23      VAL  44  -6.947   0.956  -2.083
  338   3HG2  VAL  44          HG22      VAL  44  -8.543   0.511  -1.487
  339    H    GLU  45           HN       GLU  45  -5.348  -1.742   1.687
  340    HA   GLU  45           HA       GLU  45  -5.419  -4.614   1.166
  341   1HB   GLU  45           HB2      GLU  45  -3.292  -3.334   1.236
  342   2HB   GLU  45           HB1      GLU  45  -3.561  -3.010   2.944
  343   1HG   GLU  45           HG2      GLU  45  -3.601  -5.854   1.943
  344   2HG   GLU  45           HG1      GLU  45  -2.063  -5.058   2.258
  345    H    LYS  46           HN       LYS  46  -5.901  -2.510   3.960
  346    HA   LYS  46           HA       LYS  46  -6.365  -4.793   5.745
  347   1HB   LYS  46           HB2      LYS  46  -6.110  -1.868   6.012
  348   2HB   LYS  46           HB1      LYS  46  -7.260  -2.605   7.122
  349   1HG   LYS  46           HG2      LYS  46  -5.579  -4.142   7.949
  350   2HG   LYS  46           HG1      LYS  46  -4.437  -3.638   6.708
  351   1HD   LYS  46           HD2      LYS  46  -5.445  -1.363   8.236
  352   2HD   LYS  46           HD1      LYS  46  -4.664  -2.551   9.275
  353   1HE   LYS  46           HE2      LYS  46  -3.458  -1.346   6.761
  354   2HE   LYS  46           HE1      LYS  46  -3.022  -0.913   8.409
  355   1HZ   LYS  46           HZ3      LYS  46  -2.602  -3.450   8.618
  356   2HZ   LYS  46           HZ2      LYS  46  -2.461  -3.379   6.927
  357   3HZ   LYS  46           HZ1      LYS  46  -1.432  -2.447   7.904
  358    H    HIS  47           HN       HIS  47  -8.188  -3.071   3.499
  359    HA   HIS  47           HA       HIS  47 -10.755  -3.115   4.831
  360   1HB   HIS  47           HB2      HIS  47 -10.816  -1.649   3.053
  361   2HB   HIS  47           HB1      HIS  47  -9.785  -2.662   2.046
  362    HD1  HIS  47           HD1      HIS  47 -13.288  -2.299   3.039
  363    HD2  HIS  47           HD2      HIS  47 -11.107  -4.662   0.564
  364    HE1  HIS  47           HE1      HIS  47 -14.930  -3.479   1.697
  365    H    LEU  48           HN       LEU  48  -8.985  -5.371   2.812
  366    HA   LEU  48           HA       LEU  48 -10.933  -7.192   2.041
  367   1HB   LEU  48           HB2      LEU  48  -8.155  -7.698   3.119
  368   2HB   LEU  48           HB1      LEU  48  -9.157  -8.975   2.438
  369    HG   LEU  48           HG       LEU  48  -8.887  -6.475   0.831
  370   1HD1  LEU  48          HD11      LEU  48  -6.648  -8.402   1.433
  371   2HD1  LEU  48          HD13      LEU  48  -6.746  -7.633  -0.148
  372   3HD1  LEU  48          HD12      LEU  48  -6.587  -6.647   1.303
  373   1HD2  LEU  48          HD23      LEU  48 -10.247  -8.459   0.132
  374   2HD2  LEU  48          HD22      LEU  48  -8.949  -8.101  -1.003
  375   3HD2  LEU  48          HD21      LEU  48  -8.779  -9.431   0.137
  376    H    ALA  49           HN       ALA  49 -12.502  -8.181   3.134
  377    HA   ALA  49           HA       ALA  49 -12.590  -8.229   6.020
  378   1HB   ALA  49           HB3      ALA  49 -14.503  -8.357   4.162
  379   2HB   ALA  49           HB2      ALA  49 -14.295 -10.085   4.424
  380   3HB   ALA  49           HB1      ALA  49 -14.736  -9.037   5.768
  381    H    LYS  50           HN       LYS  50 -12.058  -9.817   7.434
  382    HA   LYS  50           HA       LYS  50 -10.600 -12.155   6.321
  383   1HB   LYS  50           HB2      LYS  50 -10.482 -10.582   8.818
  384   2HB   LYS  50           HB1      LYS  50 -10.272 -12.315   9.030
  385   1HG   LYS  50           HG2      LYS  50  -8.761 -10.828   6.878
  386   2HG   LYS  50           HG1      LYS  50  -8.157 -10.883   8.529
  387   1HD   LYS  50           HD2      LYS  50  -9.029 -13.493   7.429
  388   2HD   LYS  50           HD1      LYS  50  -7.610 -12.794   6.656
  389   1HE   LYS  50           HE2      LYS  50  -7.856 -12.934   9.666
  390   2HE   LYS  50           HE1      LYS  50  -7.217 -14.284   8.738
  391   1HZ   LYS  50           HZ2      LYS  50  -6.052 -11.774   8.001
  392   2HZ   LYS  50           HZ1      LYS  50  -5.793 -12.162   9.634
  393   3HZ   LYS  50           HZ3      LYS  50  -5.302 -13.240   8.418
  394    H    ALA  51           HN       ALA  51 -11.109 -14.277   6.909
  395    HA   ALA  51           HA       ALA  51 -13.940 -14.718   7.524
  396   1HB   ALA  51           HB2      ALA  51 -12.078 -16.089   6.039
  397   2HB   ALA  51           HB1      ALA  51 -12.166 -17.066   7.500
  398   3HB   ALA  51           HB3      ALA  51 -13.623 -16.751   6.562
   
 Raw file had 398 H/Q atoms
  Start of MODEL   45
    1    OH   TYR   1           OH       TYR   1  18.485  14.695  -6.376
    2   1H    TYR   1           HT3      TYR   1  20.790  11.549  -0.338
    3   2H    TYR   1           HT2      TYR   1  20.653  11.997  -1.971
    4   3H    TYR   1           HT1      TYR   1  19.807  12.862  -0.779
    5    HA   TYR   1           HA       TYR   1  18.074  11.542  -1.027
    6   1HB   TYR   1           HB2      TYR   1  19.840   9.872  -2.838
    7   2HB   TYR   1           HB1      TYR   1  18.084   9.773  -2.740
    8    HD1  TYR   1           HD2      TYR   1  16.730  11.870  -3.305
    9    HD2  TYR   1           HD1      TYR   1  20.875  11.527  -4.198
   10    HE1  TYR   1           HE2      TYR   1  16.535  13.708  -4.915
   11    HE2  TYR   1           HE1      TYR   1  20.679  13.365  -5.807
   12    HH   TYR   1           HH       TYR   1  18.103  15.449  -5.921
   13    H    ALA   2           HN       ALA   2  18.412  11.007   1.241
   14    HA   ALA   2           HA       ALA   2  19.588   8.336   1.762
   15   1HB   ALA   2           HB1      ALA   2  19.983  10.424   3.228
   16   2HB   ALA   2           HB3      ALA   2  18.347  10.157   3.821
   17   3HB   ALA   2           HB2      ALA   2  19.579   8.923   4.055
   18    H    SER   3           HN       SER   3  18.174   6.771   1.165
   19    HA   SER   3           HA       SER   3  15.640   6.613   2.659
   20   1HB   SER   3           HB2      SER   3  14.466   7.500   0.904
   21   2HB   SER   3           HB1      SER   3  15.789   7.210  -0.243
   22    HG   SER   3           HG1      SER   3  15.235   5.081  -0.347
   23    H    LEU   4           HN       LEU   4  18.291   5.235   1.153
   24    HA   LEU   4           HA       LEU   4  17.096   2.498   1.207
   25   1HB   LEU   4           HB2      LEU   4  19.705   3.431  -0.015
   26   2HB   LEU   4           HB1      LEU   4  19.009   1.821  -0.163
   27    HG   LEU   4           HG       LEU   4  16.910   3.427  -0.956
   28   1HD1  LEU   4          HD11      LEU   4  18.508   5.385  -0.885
   29   2HD1  LEU   4          HD13      LEU   4  19.452   4.590  -2.140
   30   3HD1  LEU   4          HD12      LEU   4  17.802   5.103  -2.473
   31   1HD2  LEU   4          HD21      LEU   4  19.118   2.228  -2.664
   32   2HD2  LEU   4          HD23      LEU   4  17.703   1.369  -2.066
   33   3HD2  LEU   4          HD22      LEU   4  17.514   2.666  -3.242
   34    H    GLU   5           HN       GLU   5  19.576   4.529   2.582
   35    HA   GLU   5           HA       GLU   5  20.685   2.255   4.129
   36   1HB   GLU   5           HB2      GLU   5  21.512   5.167   3.997
   37   2HB   GLU   5           HB1      GLU   5  22.359   3.917   4.902
   38   1HG   GLU   5           HG2      GLU   5  23.148   2.870   2.980
   39   2HG   GLU   5           HG1      GLU   5  21.792   3.420   1.999
   40    H    GLU   6           HN       GLU   6  18.478   4.857   4.451
   41    HA   GLU   6           HA       GLU   6  18.066   4.121   7.297
   42   1HB   GLU   6           HB2      GLU   6  18.683   6.896   6.281
   43   2HB   GLU   6           HB1      GLU   6  17.856   6.625   7.811
   44   1HG   GLU   6           HG2      GLU   6  19.753   5.174   8.544
   45   2HG   GLU   6           HG1      GLU   6  20.591   5.550   7.040
   46    H    GLN   7           HN       GLN   7  16.037   3.329   7.034
   47    HA   GLN   7           HA       GLN   7  14.067   4.197   5.222
   48   1HB   GLN   7           HB2      GLN   7  13.827   2.953   7.963
   49   2HB   GLN   7           HB1      GLN   7  12.428   3.250   6.936
   50   1HG   GLN   7           HG2      GLN   7  13.242   0.955   6.589
   51   2HG   GLN   7           HG1      GLN   7  13.505   1.905   5.129
   52   1HE2  GLN   7          HE22      GLN   7  16.818   1.192   7.474
   53   2HE2  GLN   7          HE21      GLN   7  15.326   1.499   8.223
   54    H    ASN   8           HN       ASN   8  14.036   6.461   5.105
   55    HA   ASN   8           HA       ASN   8  13.228   7.942   7.549
   56   1HB   ASN   8           HB2      ASN   8  15.036   8.948   6.287
   57   2HB   ASN   8           HB1      ASN   8  14.090   8.881   4.802
   58   1HD2  ASN   8          HD22      ASN   8  12.706  12.038   5.426
   59   2HD2  ASN   8          HD21      ASN   8  13.260  10.893   4.301
   60    H    ASN   9           HN       ASN   9  12.316   8.991   4.366
   61    HA   ASN   9           HA       ASN   9   9.502   9.100   5.214
   62   1HB   ASN   9           HB2      ASN   9  10.886  10.840   3.783
   63   2HB   ASN   9           HB1      ASN   9  10.398   9.806   2.443
   64   1HD2  ASN   9          HD22      ASN   9   7.439  11.717   4.583
   65   2HD2  ASN   9          HD21      ASN   9   8.881  11.289   5.369
   66    H    ASP  10           HN       ASP  10   7.784   8.080   4.120
   67    HA   ASP  10           HA       ASP  10   8.554   5.505   2.878
   68   1HB   ASP  10           HB2      ASP  10   6.086   6.603   4.159
   69   2HB   ASP  10           HB1      ASP  10   5.910   5.289   2.998
   70    H    ALA  11           HN       ALA  11   6.920   4.792   1.082
   71    HA   ALA  11           HA       ALA  11   5.823   6.802  -0.655
   72   1HB   ALA  11           HB3      ALA  11   8.584   5.759  -1.308
   73   2HB   ALA  11           HB2      ALA  11   7.527   6.479  -2.518
   74   3HB   ALA  11           HB1      ALA  11   8.078   7.438  -1.148
   75    H    LEU  12           HN       LEU  12   5.271   5.855  -2.839
   76    HA   LEU  12           HA       LEU  12   3.825   3.469  -2.600
   77   1HB   LEU  12           HB2      LEU  12   5.126   4.566  -5.109
   78   2HB   LEU  12           HB1      LEU  12   3.811   3.399  -5.070
   79    HG   LEU  12           HG       LEU  12   3.454   5.968  -3.563
   80   1HD1  LEU  12          HD13      LEU  12   3.336   5.648  -6.576
   81   2HD1  LEU  12          HD12      LEU  12   2.527   6.955  -5.717
   82   3HD1  LEU  12          HD11      LEU  12   4.282   6.819  -5.663
   83   1HD2  LEU  12          HD23      LEU  12   1.625   4.217  -5.243
   84   2HD2  LEU  12          HD22      LEU  12   1.753   4.168  -3.488
   85   3HD2  LEU  12          HD21      LEU  12   1.117   5.604  -4.284
   86    H    SER  13           HN       SER  13   4.231   1.306  -3.020
   87    HA   SER  13           HA       SER  13   7.115   0.576  -3.232
   88   1HB   SER  13           HB2      SER  13   5.023  -0.300  -1.464
   89   2HB   SER  13           HB1      SER  13   5.623  -1.684  -2.400
   90    HG   SER  13           HG1      SER  13   6.958  -1.251  -0.586
   91    HA   PRO  14           HA       PRO  14   6.506  -1.537  -7.047
   92   1HB   PRO  14           HB2      PRO  14   7.637  -4.060  -6.381
   93   2HB   PRO  14           HB1      PRO  14   8.442  -2.705  -7.175
   94   1HG   PRO  14           HG2      PRO  14   8.754  -3.647  -4.415
   95   2HG   PRO  14           HG1      PRO  14   9.715  -2.445  -5.278
   96   1HD   PRO  14           HD1      PRO  14   7.805  -1.938  -3.220
   97   2HD   PRO  14           HD2      PRO  14   8.625  -0.741  -4.237
   98    H    ALA  15           HN       ALA  15   5.382  -2.968  -4.112
   99    HA   ALA  15           HA       ALA  15   3.818  -5.065  -5.460
  100   1HB   ALA  15           HB1      ALA  15   4.889  -4.917  -2.979
  101   2HB   ALA  15           HB3      ALA  15   3.244  -4.394  -2.633
  102   3HB   ALA  15           HB2      ALA  15   3.530  -5.962  -3.381
  103    H    ILE  16           HN       ILE  16   3.179  -2.013  -3.776
  104    HA   ILE  16           HA       ILE  16   0.392  -2.040  -3.694
  105    HB   ILE  16           HB       ILE  16   2.167  -0.175  -3.059
  106   1HG1  ILE  16          HG12      ILE  16  -0.702   0.286  -3.930
  107   2HG1  ILE  16          HG11      ILE  16  -0.134  -0.107  -2.311
  108   1HG2  ILE  16          HG22      ILE  16   2.547   0.194  -5.606
  109   2HG2  ILE  16          HG21      ILE  16   1.002   1.038  -5.567
  110   3HG2  ILE  16          HG23      ILE  16   2.347   1.616  -4.591
  111   1HD1  ILE  16           HD3      ILE  16   1.293   2.072  -2.544
  112   2HD1  ILE  16           HD2      ILE  16   0.171   2.473  -3.841
  113   3HD1  ILE  16           HD1      ILE  16  -0.428   2.229  -2.203
  114    NH1  ARG  17           NH1      ARG  17   5.897   2.290 -10.264
  115    NH2  ARG  17           NH2      ARG  17   6.866   1.234  -8.484
  116    H    ARG  17           HN       ARG  17   2.346  -2.201  -6.457
  117    HA   ARG  17           HA       ARG  17   0.306  -1.077  -8.268
  118   1HB   ARG  17           HB2      ARG  17   3.032  -2.306  -8.697
  119   2HB   ARG  17           HB1      ARG  17   1.974  -1.881 -10.039
  120   1HG   ARG  17           HG2      ARG  17   2.377   0.342  -9.789
  121   2HG   ARG  17           HG1      ARG  17   2.206   0.262  -8.040
  122   1HD   ARG  17           HD2      ARG  17   4.487  -0.635  -7.833
  123   2HD   ARG  17           HD1      ARG  17   4.664  -0.637  -9.587
  124    HE   ARG  17           HE       ARG  17   4.035   1.971  -8.338
  125   1HH1  ARG  17          HH11      ARG  17   5.066   2.558 -10.751
  126   2HH1  ARG  17          HH12      ARG  17   6.794   2.546 -10.624
  127   1HH2  ARG  17          HH21      ARG  17   6.761   0.710  -7.639
  128   2HH2  ARG  17          HH22      ARG  17   7.779   1.473  -8.814
  129    NH1  ARG  18           NH2      ARG  18   4.299  -5.108 -12.494
  130    NH2  ARG  18           NH1      ARG  18   5.792  -6.812 -12.195
  131    H    ARG  18           HN       ARG  18   1.771  -4.235  -7.575
  132    HA   ARG  18           HA       ARG  18  -0.287  -5.537  -9.278
  133   1HB   ARG  18           HB2      ARG  18   2.259  -6.511  -7.983
  134   2HB   ARG  18           HB1      ARG  18   1.094  -7.622  -8.697
  135   1HG   ARG  18           HG2      ARG  18   1.275  -6.467 -10.857
  136   2HG   ARG  18           HG1      ARG  18   2.371  -5.283 -10.155
  137   1HD   ARG  18           HD2      ARG  18   4.066  -6.957  -9.775
  138   2HD   ARG  18           HD1      ARG  18   2.946  -8.262 -10.164
  139    HE   ARG  18           HE       ARG  18   3.118  -7.657 -12.502
  140   1HH1  ARG  18          HH21      ARG  18   3.354  -4.783 -12.468
  141   2HH1  ARG  18          HH22      ARG  18   5.034  -4.487 -12.765
  142   1HH2  ARG  18          HH11      ARG  18   5.964  -7.764 -11.944
  143   2HH2  ARG  18          HH12      ARG  18   6.552  -6.219 -12.460
  144    H    LEU  19           HN       LEU  19  -0.895  -4.284  -6.675
  145    HA   LEU  19           HA       LEU  19  -1.623  -6.672  -5.043
  146   1HB   LEU  19           HB2      LEU  19  -0.414  -4.650  -4.036
  147   2HB   LEU  19           HB1      LEU  19  -1.932  -3.781  -4.236
  148    HG   LEU  19           HG       LEU  19  -2.865  -6.027  -3.051
  149   1HD1  LEU  19          HD11      LEU  19  -0.562  -6.973  -2.872
  150   2HD1  LEU  19          HD13      LEU  19  -0.090  -5.587  -1.895
  151   3HD1  LEU  19          HD12      LEU  19  -1.294  -6.719  -1.290
  152   1HD2  LEU  19          HD22      LEU  19  -1.615  -3.643  -1.640
  153   2HD2  LEU  19          HD21      LEU  19  -3.249  -3.711  -2.291
  154   3HD2  LEU  19          HD23      LEU  19  -2.801  -4.733  -0.928
  155    H    LEU  20           HN       LEU  20  -3.099  -3.575  -6.004
  156    HA   LEU  20           HA       LEU  20  -5.784  -4.449  -5.454
  157   1HB   LEU  20           HB2      LEU  20  -4.567  -2.147  -6.943
  158   2HB   LEU  20           HB1      LEU  20  -6.297  -2.442  -7.070
  159    HG   LEU  20           HG       LEU  20  -5.103  -2.505  -4.332
  160   1HD1  LEU  20          HD13      LEU  20  -5.593   0.034  -5.927
  161   2HD1  LEU  20          HD12      LEU  20  -5.320  -0.017  -4.189
  162   3HD1  LEU  20          HD11      LEU  20  -4.043  -0.512  -5.294
  163   1HD2  LEU  20          HD22      LEU  20  -7.591  -2.830  -5.134
  164   2HD2  LEU  20          HD21      LEU  20  -7.270  -1.868  -3.696
  165   3HD2  LEU  20          HD23      LEU  20  -7.593  -1.072  -5.232
  166    H    ALA  21           HN       ALA  21  -4.134  -3.901  -8.566
  167    HA   ALA  21           HA       ALA  21  -6.177  -4.960 -10.217
  168   1HB   ALA  21           HB2      ALA  21  -3.691  -3.872 -10.643
  169   2HB   ALA  21           HB1      ALA  21  -3.442  -5.546 -11.127
  170   3HB   ALA  21           HB3      ALA  21  -4.700  -4.584 -11.898
  171    H    GLU  22           HN       GLU  22  -4.456  -6.558  -7.876
  172    HA   GLU  22           HA       GLU  22  -4.479  -9.168  -9.297
  173   1HB   GLU  22           HB2      GLU  22  -2.491  -8.413  -7.914
  174   2HB   GLU  22           HB1      GLU  22  -3.511  -8.594  -6.492
  175   1HG   GLU  22           HG2      GLU  22  -2.314 -10.671  -6.744
  176   2HG   GLU  22           HG1      GLU  22  -3.967 -10.983  -7.266
  177    H    HIS  23           HN       HIS  23  -5.865  -7.565  -6.468
  178    HA   HIS  23           HA       HIS  23  -7.589  -9.929  -5.967
  179   1HB   HIS  23           HB2      HIS  23  -7.489  -7.354  -4.385
  180   2HB   HIS  23           HB1      HIS  23  -8.119  -8.913  -3.861
  181    HD1  HIS  23           HD1      HIS  23  -5.998 -10.766  -4.272
  182    HD2  HIS  23           HD2      HIS  23  -5.043  -6.954  -3.261
  183    HE1  HIS  23           HE1      HIS  23  -3.752 -10.907  -3.363
  184    H    ASN  24           HN       ASN  24  -7.673  -7.004  -7.636
  185    HA   ASN  24           HA       ASN  24  -9.433  -5.702  -8.511
  186   1HB   ASN  24           HB2      ASN  24 -11.346  -7.881  -8.734
  187   2HB   ASN  24           HB1      ASN  24 -10.483  -7.025 -10.006
  188   1HD2  ASN  24          HD22      ASN  24  -9.218 -10.678  -8.832
  189   2HD2  ASN  24          HD21      ASN  24 -10.618  -9.964  -8.192
  190    H    LEU  25           HN       LEU  25 -10.077  -4.398  -6.833
  191    HA   LEU  25           HA       LEU  25 -12.405  -5.372  -5.211
  192   1HB   LEU  25           HB2      LEU  25 -10.322  -3.336  -4.388
  193   2HB   LEU  25           HB1      LEU  25 -11.643  -3.935  -3.393
  194    HG   LEU  25           HG       LEU  25  -9.415  -5.653  -4.550
  195   1HD1  LEU  25          HD12      LEU  25  -8.632  -4.119  -2.768
  196   2HD1  LEU  25          HD11      LEU  25  -9.917  -4.693  -1.711
  197   3HD1  LEU  25          HD13      LEU  25  -8.632  -5.788  -2.209
  198   1HD2  LEU  25          HD21      LEU  25 -11.898  -6.206  -2.947
  199   2HD2  LEU  25          HD23      LEU  25 -11.190  -7.141  -4.259
  200   3HD2  LEU  25          HD22      LEU  25 -10.466  -7.188  -2.656
  201    H    ASP  26           HN       ASP  26 -13.921  -3.679  -4.570
  202    HA   ASP  26           HA       ASP  26 -14.234  -1.682  -6.747
  203   1HB   ASP  26           HB2      ASP  26 -16.095  -3.306  -6.029
  204   2HB   ASP  26           HB1      ASP  26 -16.251  -2.301  -4.590
  205    H    ALA  27           HN       ALA  27 -12.923   0.020  -6.166
  206    HA   ALA  27           HA       ALA  27 -12.412   1.046  -3.616
  207   1HB   ALA  27           HB2      ALA  27 -12.750   2.550  -6.223
  208   2HB   ALA  27           HB1      ALA  27 -12.052   3.247  -4.764
  209   3HB   ALA  27           HB3      ALA  27 -11.250   1.901  -5.568
  210    H    SER  28           HN       SER  28 -15.374   0.972  -5.267
  211    HA   SER  28           HA       SER  28 -16.626   3.329  -4.225
  212   1HB   SER  28           HB2      SER  28 -17.415   1.492  -6.022
  213   2HB   SER  28           HB1      SER  28 -18.296   0.888  -4.604
  214    HG   SER  28           HG1      SER  28 -18.191   3.638  -5.244
  215    H    ALA  29           HN       ALA  29 -16.186   0.092  -2.931
  216    HA   ALA  29           HA       ALA  29 -17.885   0.594  -0.604
  217   1HB   ALA  29           HB2      ALA  29 -16.027  -1.636  -1.418
  218   2HB   ALA  29           HB1      ALA  29 -16.753  -1.592   0.185
  219   3HB   ALA  29           HB3      ALA  29 -17.778  -1.679  -1.244
  220    H    ILE  30           HN       ILE  30 -14.610   1.150  -1.469
  221    HA   ILE  30           HA       ILE  30 -13.735   1.385   1.344
  222    HB   ILE  30           HB       ILE  30 -12.158   2.040  -1.152
  223   1HG1  ILE  30          HG12      ILE  30 -12.880  -0.219  -1.470
  224   2HG1  ILE  30          HG11      ILE  30 -11.243  -0.335  -0.850
  225   1HG2  ILE  30          HG23      ILE  30 -11.489   1.599   1.758
  226   2HG2  ILE  30          HG22      ILE  30 -10.288   1.237   0.527
  227   3HG2  ILE  30          HG21      ILE  30 -10.939   2.863   0.671
  228   1HD1  ILE  30           HD1      ILE  30 -12.350  -0.524   1.489
  229   2HD1  ILE  30           HD3      ILE  30 -13.843  -0.830   0.612
  230   3HD1  ILE  30           HD2      ILE  30 -12.472  -1.915   0.424
  231    H    LYS  31           HN       LYS  31 -12.646   3.381   2.054
  232    HA   LYS  31           HA       LYS  31 -14.176   5.745   1.112
  233   1HB   LYS  31           HB2      LYS  31 -12.354   5.530   3.518
  234   2HB   LYS  31           HB1      LYS  31 -13.546   6.784   3.197
  235   1HG   LYS  31           HG2      LYS  31 -14.157   3.839   3.635
  236   2HG   LYS  31           HG1      LYS  31 -14.425   5.123   4.808
  237   1HD   LYS  31           HD2      LYS  31 -15.776   6.208   2.775
  238   2HD   LYS  31           HD1      LYS  31 -15.911   4.525   2.278
  239   1HE   LYS  31           HE2      LYS  31 -17.815   5.155   3.712
  240   2HE   LYS  31           HE1      LYS  31 -16.819   3.944   4.510
  241   1HZ   LYS  31           HZ2      LYS  31 -16.473   6.846   4.971
  242   2HZ   LYS  31           HZ1      LYS  31 -17.524   5.889   5.900
  243   3HZ   LYS  31           HZ3      LYS  31 -15.858   5.558   5.892
  244    H    GLY  32           HN       GLY  32 -12.758   5.656  -0.880
  245   1HA   GLY  32           HA2      GLY  32  -9.972   6.482  -0.553
  246   2HA   GLY  32           HA1      GLY  32 -10.833   6.335  -2.082
  247    H    THR  33           HN       THR  33 -10.516   8.386   0.787
  248    HA   THR  33           HA       THR  33 -11.662  10.669  -0.727
  249    HB   THR  33           HB       THR  33 -11.564  11.835   1.519
  250    HG1  THR  33           HG1      THR  33 -10.806  10.538   3.211
  251   1HG2  THR  33          HG23      THR  33 -12.778   9.042   1.514
  252   2HG2  THR  33          HG22      THR  33 -13.114  10.264   2.737
  253   3HG2  THR  33          HG21      THR  33 -13.612  10.528   1.069
  254    H    GLY  34           HN       GLY  34  -8.838   9.334  -0.870
  255   1HA   GLY  34           HA2      GLY  34  -6.843  11.096  -0.003
  256   2HA   GLY  34           HA1      GLY  34  -6.720  10.150  -1.485
  257    H    VAL  35           HN       VAL  35  -5.470  12.363  -1.791
  258    HA   VAL  35           HA       VAL  35  -6.663  14.816  -2.261
  259    HB   VAL  35           HB       VAL  35  -4.715  13.552  -4.200
  260   1HG1  VAL  35          HG12      VAL  35  -5.930  16.050  -4.167
  261   2HG1  VAL  35          HG11      VAL  35  -4.391  16.348  -3.367
  262   3HG1  VAL  35          HG13      VAL  35  -4.421  15.664  -4.989
  263   1HG2  VAL  35          HG23      VAL  35  -4.309  14.735  -1.440
  264   2HG2  VAL  35          HG22      VAL  35  -3.799  13.153  -2.018
  265   3HG2  VAL  35          HG21      VAL  35  -3.001  14.606  -2.611
  266    H    GLY  36           HN       GLY  36  -8.739  14.838  -3.031
  267   1HA   GLY  36           HA2      GLY  36 -10.331  15.003  -4.767
  268   2HA   GLY  36           HA1      GLY  36  -9.075  14.520  -5.904
  269    H    GLY  37           HN       GLY  37  -8.475  12.119  -4.227
  270   1HA   GLY  37           HA2      GLY  37 -10.342  10.294  -3.642
  271   2HA   GLY  37           HA1      GLY  37 -10.603  10.413  -5.381
  272    NH1  ARG  38           NH1      ARG  38  -1.606   6.671  -4.979
  273    NH2  ARG  38           NH2      ARG  38  -0.443   7.717  -3.314
  274    H    ARG  38           HN       ARG  38  -7.492  10.679  -3.760
  275    HA   ARG  38           HA       ARG  38  -6.391   8.592  -5.486
  276   1HB   ARG  38           HB2      ARG  38  -5.116  10.641  -4.791
  277   2HB   ARG  38           HB1      ARG  38  -5.075  10.000  -3.152
  278   1HG   ARG  38           HG2      ARG  38  -3.901   7.988  -3.947
  279   2HG   ARG  38           HG1      ARG  38  -3.988   8.573  -5.604
  280   1HD   ARG  38           HD2      ARG  38  -2.710  10.630  -4.853
  281   2HD   ARG  38           HD1      ARG  38  -2.479   9.841  -3.294
  282    HE   ARG  38           HE       ARG  38  -0.962   9.279  -5.653
  283   1HH1  ARG  38          HH11      ARG  38  -2.165   6.737  -5.806
  284   2HH1  ARG  38          HH12      ARG  38  -1.380   5.773  -4.601
  285   1HH2  ARG  38          HH21      ARG  38  -0.130   8.568  -2.893
  286   2HH2  ARG  38          HH22      ARG  38  -0.197   6.838  -2.907
  287    H    LEU  39           HN       LEU  39  -7.179   6.598  -4.966
  288    HA   LEU  39           HA       LEU  39  -7.690   5.665  -2.317
  289   1HB   LEU  39           HB2      LEU  39  -8.670   4.537  -4.234
  290   2HB   LEU  39           HB1      LEU  39  -7.078   4.156  -4.875
  291    HG   LEU  39           HG       LEU  39  -6.617   2.665  -2.993
  292   1HD1  LEU  39          HD13      LEU  39  -9.166   3.881  -1.935
  293   2HD1  LEU  39          HD12      LEU  39  -8.678   2.272  -1.415
  294   3HD1  LEU  39          HD11      LEU  39  -7.628   3.651  -1.108
  295   1HD2  LEU  39          HD22      LEU  39  -8.273   2.064  -4.988
  296   2HD2  LEU  39          HD21      LEU  39  -8.011   0.932  -3.665
  297   3HD2  LEU  39          HD23      LEU  39  -9.446   1.952  -3.679
  298    H    THR  40           HN       THR  40  -6.258   5.292  -0.747
  299    HA   THR  40           HA       THR  40  -3.410   4.883  -1.451
  300    HB   THR  40           HB       THR  40  -2.918   5.531   0.794
  301    HG1  THR  40           HG1      THR  40  -4.444   3.873   1.531
  302   1HG2  THR  40          HG21      THR  40  -4.191   7.379  -0.429
  303   2HG2  THR  40          HG23      THR  40  -5.656   6.777   0.343
  304   3HG2  THR  40          HG22      THR  40  -4.348   7.432   1.324
  305    NH1  ARG  41           NH2      ARG  41   2.284  -2.153   1.348
  306    NH2  ARG  41           NH1      ARG  41   1.325  -4.220   1.515
  307    H    ARG  41           HN       ARG  41  -2.614   3.432   0.801
  308    HA   ARG  41           HA       ARG  41  -3.604   0.738   0.036
  309   1HB   ARG  41           HB2      ARG  41  -1.099   1.455   0.163
  310   2HB   ARG  41           HB1      ARG  41  -1.303   1.257   1.900
  311   1HG   ARG  41           HG2      ARG  41  -2.094  -1.059   1.547
  312   2HG   ARG  41           HG1      ARG  41  -1.905  -0.862  -0.193
  313   1HD   ARG  41           HD2      ARG  41   0.458  -0.716  -0.037
  314   2HD   ARG  41           HD1      ARG  41   0.409  -0.379   1.693
  315    HE   ARG  41           HE       ARG  41  -0.750  -2.948   1.236
  316   1HH1  ARG  41          HH21      ARG  41   2.177  -1.167   1.218
  317   2HH1  ARG  41          HH22      ARG  41   3.195  -2.544   1.479
  318   1HH2  ARG  41          HH11      ARG  41   0.498  -4.784   1.508
  319   2HH2  ARG  41          HH12      ARG  41   2.220  -4.646   1.648
  320    H    GLU  42           HN       GLU  42  -2.714   2.448   3.037
  321    HA   GLU  42           HA       GLU  42  -3.786   0.666   4.885
  322   1HB   GLU  42           HB2      GLU  42  -3.559   2.373   6.418
  323   2HB   GLU  42           HB1      GLU  42  -2.560   3.002   5.126
  324   1HG   GLU  42           HG2      GLU  42  -4.732   4.136   4.262
  325   2HG   GLU  42           HG1      GLU  42  -5.383   3.795   5.865
  326    H    ASP  43           HN       ASP  43  -5.446   2.595   2.598
  327    HA   ASP  43           HA       ASP  43  -7.992   2.718   3.987
  328   1HB   ASP  43           HB2      ASP  43  -7.003   3.320   1.237
  329   2HB   ASP  43           HB1      ASP  43  -8.733   3.061   1.443
  330    H    VAL  44           HN       VAL  44  -6.492   0.517   1.697
  331    HA   VAL  44           HA       VAL  44  -8.936  -1.092   1.423
  332    HB   VAL  44           HB       VAL  44  -6.101  -1.604   0.480
  333   1HG1  VAL  44          HG12      VAL  44  -8.747  -2.973  -0.105
  334   2HG1  VAL  44          HG11      VAL  44  -7.294  -3.212  -1.070
  335   3HG1  VAL  44          HG13      VAL  44  -7.316  -3.698   0.622
  336   1HG2  VAL  44          HG23      VAL  44  -7.990   0.285  -0.381
  337   2HG2  VAL  44          HG22      VAL  44  -6.581  -0.265  -1.284
  338   3HG2  VAL  44          HG21      VAL  44  -8.141  -1.046  -1.526
  339    H    GLU  45           HN       GLU  45  -6.085  -1.045   3.386
  340    HA   GLU  45           HA       GLU  45  -5.809  -3.704   4.199
  341   1HB   GLU  45           HB2      GLU  45  -4.341  -1.901   4.990
  342   2HB   GLU  45           HB1      GLU  45  -5.660  -1.235   5.945
  343   1HG   GLU  45           HG2      GLU  45  -5.647  -3.038   7.455
  344   2HG   GLU  45           HG1      GLU  45  -4.845  -4.112   6.313
  345    H    LYS  46           HN       LYS  46  -7.803  -1.287   5.900
  346    HA   LYS  46           HA       LYS  46  -9.083  -3.006   7.698
  347   1HB   LYS  46           HB2      LYS  46 -10.749  -1.331   7.951
  348   2HB   LYS  46           HB1      LYS  46  -9.291  -0.459   7.490
  349   1HG   LYS  46           HG2      LYS  46 -10.140  -0.764   5.049
  350   2HG   LYS  46           HG1      LYS  46 -11.693  -1.136   5.789
  351   1HD   LYS  46           HD2      LYS  46 -11.426   1.045   7.109
  352   2HD   LYS  46           HD1      LYS  46 -10.093   1.425   6.023
  353   1HE   LYS  46           HE2      LYS  46 -11.909   2.419   4.923
  354   2HE   LYS  46           HE1      LYS  46 -11.824   0.850   4.132
  355   1HZ   LYS  46           HZ1      LYS  46 -13.414   0.777   6.499
  356   2HZ   LYS  46           HZ3      LYS  46 -13.999   1.911   5.378
  357   3HZ   LYS  46           HZ2      LYS  46 -13.799   0.288   4.919
  358    H    HIS  47           HN       HIS  47  -9.273  -3.088   4.335
  359    HA   HIS  47           HA       HIS  47 -11.978  -4.263   4.248
  360   1HB   HIS  47           HB2      HIS  47 -10.758  -2.766   2.440
  361   2HB   HIS  47           HB1      HIS  47 -10.106  -4.316   1.913
  362    HD1  HIS  47           HD1      HIS  47 -13.528  -3.311   2.986
  363    HD2  HIS  47           HD2      HIS  47 -11.710  -5.264  -0.071
  364    HE1  HIS  47           HE1      HIS  47 -15.340  -4.023   1.537
  365    H    LEU  48           HN       LEU  48  -8.621  -5.284   3.812
  366    HA   LEU  48           HA       LEU  48  -9.421  -8.073   3.347
  367   1HB   LEU  48           HB2      LEU  48  -6.687  -6.836   3.769
  368   2HB   LEU  48           HB1      LEU  48  -6.983  -8.499   3.274
  369    HG   LEU  48           HG       LEU  48  -8.347  -6.400   1.665
  370   1HD1  LEU  48          HD11      LEU  48  -5.346  -6.867   1.599
  371   2HD1  LEU  48          HD13      LEU  48  -6.246  -6.031   0.337
  372   3HD1  LEU  48          HD12      LEU  48  -6.161  -5.348   1.957
  373   1HD2  LEU  48          HD22      LEU  48  -8.394  -8.913   1.266
  374   2HD2  LEU  48          HD21      LEU  48  -7.882  -7.956  -0.120
  375   3HD2  LEU  48          HD23      LEU  48  -6.687  -8.805   0.855
  376    H    ALA  49           HN       ALA  49  -6.749  -8.470   5.060
  377    HA   ALA  49           HA       ALA  49  -7.594  -8.173   7.792
  378   1HB   ALA  49           HB3      ALA  49  -8.024 -10.880   6.505
  379   2HB   ALA  49           HB2      ALA  49  -7.975 -10.625   8.247
  380   3HB   ALA  49           HB1      ALA  49  -9.238  -9.869   7.282
  381    H    LYS  50           HN       LYS  50  -5.928  -8.630   9.187
  382    HA   LYS  50           HA       LYS  50  -3.374  -9.416   7.907
  383   1HB   LYS  50           HB2      LYS  50  -3.440  -7.376   9.312
  384   2HB   LYS  50           HB1      LYS  50  -3.929  -8.354  10.691
  385   1HG   LYS  50           HG2      LYS  50  -1.798  -9.004  11.081
  386   2HG   LYS  50           HG1      LYS  50  -1.572  -9.477   9.403
  387   1HD   LYS  50           HD2      LYS  50  -1.475  -6.597  10.357
  388   2HD   LYS  50           HD1      LYS  50  -0.046  -7.607  10.174
  389   1HE   LYS  50           HE2      LYS  50  -0.019  -7.264   7.941
  390   2HE   LYS  50           HE1      LYS  50  -1.696  -7.776   7.797
  391   1HZ   LYS  50           HZ2      LYS  50  -1.851  -5.313   8.943
  392   2HZ   LYS  50           HZ1      LYS  50  -0.595  -5.144   7.811
  393   3HZ   LYS  50           HZ3      LYS  50  -2.127  -5.676   7.307
  394    H    ALA  51           HN       ALA  51  -5.753 -10.613  10.110
  395    HA   ALA  51           HA       ALA  51  -4.290 -12.505  11.596
  396   1HB   ALA  51           HB1      ALA  51  -6.997 -11.922  11.164
  397   2HB   ALA  51           HB3      ALA  51  -6.819 -13.611  10.697
  398   3HB   ALA  51           HB2      ALA  51  -6.346 -13.089  12.311
   
 Raw file had 398 H/Q atoms
  Start of MODEL   46
    1    OH   TYR   1           OH       TYR   1  28.595  -6.875   1.050
    2   1H    TYR   1           HT1      TYR   1  27.762  -1.441   7.430
    3   2H    TYR   1           HT3      TYR   1  27.680  -3.032   8.019
    4   3H    TYR   1           HT2      TYR   1  29.141  -2.431   7.396
    5    HA   TYR   1           HA       TYR   1  28.573  -2.797   5.280
    6   1HB   TYR   1           HB2      TYR   1  27.810  -4.868   6.793
    7   2HB   TYR   1           HB1      TYR   1  26.230  -4.425   6.152
    8    HD1  TYR   1           HD1      TYR   1  29.632  -5.538   5.250
    9    HD2  TYR   1           HD2      TYR   1  25.731  -4.685   3.787
   10    HE1  TYR   1           HE1      TYR   1  30.193  -6.620   3.123
   11    HE2  TYR   1           HE2      TYR   1  26.292  -5.765   1.660
   12    HH   TYR   1           HH       TYR   1  27.776  -7.044   0.579
   13    H    ALA   2           HN       ALA   2  27.416  -0.393   6.107
   14    HA   ALA   2           HA       ALA   2  24.627  -0.168   5.574
   15   1HB   ALA   2           HB1      ALA   2  26.941   1.741   5.475
   16   2HB   ALA   2           HB3      ALA   2  25.366   2.254   4.880
   17   3HB   ALA   2           HB2      ALA   2  25.550   1.740   6.554
   18    H    SER   3           HN       SER   3  23.670   0.919   3.652
   19    HA   SER   3           HA       SER   3  25.145   0.454   1.123
   20   1HB   SER   3           HB2      SER   3  22.491  -0.849   1.812
   21   2HB   SER   3           HB1      SER   3  23.177  -0.798   0.177
   22    HG   SER   3           HG1      SER   3  24.888  -1.967   0.838
   23    H    LEU   4           HN       LEU   4  23.082   0.870  -0.642
   24    HA   LEU   4           HA       LEU   4  22.644   3.745  -0.307
   25   1HB   LEU   4           HB2      LEU   4  21.450   2.066  -2.500
   26   2HB   LEU   4           HB1      LEU   4  21.972   3.747  -2.561
   27    HG   LEU   4           HG       LEU   4  23.747   1.293  -2.341
   28   1HD1  LEU   4          HD13      LEU   4  22.693   2.287  -4.583
   29   2HD1  LEU   4          HD12      LEU   4  24.003   3.450  -4.405
   30   3HD1  LEU   4          HD11      LEU   4  24.364   1.732  -4.538
   31   1HD2  LEU   4          HD22      LEU   4  24.282   4.232  -1.930
   32   2HD2  LEU   4          HD21      LEU   4  24.854   2.864  -0.979
   33   3HD2  LEU   4          HD23      LEU   4  25.548   3.186  -2.564
   34    H    GLU   5           HN       GLU   5  20.579   0.871  -0.612
   35    HA   GLU   5           HA       GLU   5  18.232   2.498   0.194
   36   1HB   GLU   5           HB2      GLU   5  18.357  -0.424  -0.593
   37   2HB   GLU   5           HB1      GLU   5  16.904   0.558  -0.434
   38   1HG   GLU   5           HG2      GLU   5  17.646   2.010  -2.267
   39   2HG   GLU   5           HG1      GLU   5  19.161   1.119  -2.390
   40    H    GLU   6           HN       GLU   6  17.767   2.657   2.289
   41    HA   GLU   6           HA       GLU   6  18.815   0.619   4.169
   42   1HB   GLU   6           HB2      GLU   6  17.963   2.270   5.903
   43   2HB   GLU   6           HB1      GLU   6  19.237   2.877   4.852
   44   1HG   GLU   6           HG2      GLU   6  16.497   3.259   3.803
   45   2HG   GLU   6           HG1      GLU   6  16.852   4.165   5.272
   46    H    GLN   7           HN       GLN   7  16.973   0.787   6.206
   47    HA   GLN   7           HA       GLN   7  14.361  -0.008   5.027
   48   1HB   GLN   7           HB2      GLN   7  15.683  -2.083   5.246
   49   2HB   GLN   7           HB1      GLN   7  15.948  -1.732   6.949
   50   1HG   GLN   7           HG2      GLN   7  13.568  -1.890   7.416
   51   2HG   GLN   7           HG1      GLN   7  13.197  -2.032   5.700
   52   1HE2  GLN   7          HE22      GLN   7  14.934  -5.357   5.681
   53   2HE2  GLN   7          HE21      GLN   7  15.215  -3.871   4.909
   54    H    ASN   8           HN       ASN   8  12.776   0.960   6.122
   55    HA   ASN   8           HA       ASN   8  13.024   1.300   9.055
   56   1HB   ASN   8           HB2      ASN   8  13.872   3.408   8.476
   57   2HB   ASN   8           HB1      ASN   8  12.839   3.538   7.055
   58   1HD2  ASN   8          HD22      ASN   8  10.173   5.015   8.817
   59   2HD2  ASN   8          HD21      ASN   8  10.787   4.497   7.321
   60    H    ASN   9           HN       ASN   9  11.209   0.431   9.826
   61    HA   ASN   9           HA       ASN   9   8.936  -0.126  10.041
   62   1HB   ASN   9           HB2      ASN   9   8.880   2.443  10.032
   63   2HB   ASN   9           HB1      ASN   9   8.375   2.313   8.350
   64   1HD2  ASN   9          HD22      ASN   9   5.044   1.725   9.264
   65   2HD2  ASN   9          HD21      ASN   9   6.151   2.337   8.132
   66    H    ASP  10           HN       ASP  10   7.236   1.077   7.633
   67    HA   ASP  10           HA       ASP  10   7.943  -0.990   5.612
   68   1HB   ASP  10           HB2      ASP  10   6.134  -1.752   7.337
   69   2HB   ASP  10           HB1      ASP  10   5.074  -0.660   6.450
   70    H    ALA  11           HN       ALA  11   7.415  -0.431   3.522
   71    HA   ALA  11           HA       ALA  11   5.756   1.982   3.067
   72   1HB   ALA  11           HB1      ALA  11   8.614   2.039   3.047
   73   2HB   ALA  11           HB3      ALA  11   8.053   2.242   1.390
   74   3HB   ALA  11           HB2      ALA  11   7.498   3.342   2.648
   75    H    LEU  12           HN       LEU  12   4.420   1.567   1.430
   76    HA   LEU  12           HA       LEU  12   4.964  -0.735  -0.330
   77   1HB   LEU  12           HB2      LEU  12   2.601   0.955   0.329
   78   2HB   LEU  12           HB1      LEU  12   2.623   0.184  -1.253
   79    HG   LEU  12           HG       LEU  12   3.322  -1.433   1.187
   80   1HD1  LEU  12          HD12      LEU  12   0.552  -0.650   0.237
   81   2HD1  LEU  12          HD11      LEU  12   0.853  -2.066   1.239
   82   3HD1  LEU  12          HD13      LEU  12   1.226  -0.458   1.853
   83   1HD2  LEU  12          HD21      LEU  12   3.356  -2.037  -1.441
   84   2HD2  LEU  12          HD23      LEU  12   2.946  -3.230  -0.213
   85   3HD2  LEU  12          HD22      LEU  12   1.668  -2.404  -1.100
   86    H    SER  13           HN       SER  13   4.125  -0.296  -2.713
   87    HA   SER  13           HA       SER  13   5.494   2.168  -3.702
   88   1HB   SER  13           HB2      SER  13   5.557   0.097  -5.688
   89   2HB   SER  13           HB1      SER  13   6.932   0.820  -4.832
   90    HG   SER  13           HG1      SER  13   5.711  -1.554  -4.410
   91    HA   PRO  14           HA       PRO  14   2.005   3.284  -6.098
   92   1HB   PRO  14           HB2      PRO  14   3.256   3.141  -8.705
   93   2HB   PRO  14           HB1      PRO  14   2.803   4.573  -7.779
   94   1HG   PRO  14           HG2      PRO  14   5.464   3.521  -8.195
   95   2HG   PRO  14           HG1      PRO  14   5.007   4.934  -7.243
   96   1HD   PRO  14           HD1      PRO  14   5.933   2.399  -6.261
   97   2HD   PRO  14           HD2      PRO  14   5.397   3.792  -5.307
   98    H    ALA  15           HN       ALA  15   3.834   0.472  -6.975
   99    HA   ALA  15           HA       ALA  15   1.999  -0.680  -8.856
  100   1HB   ALA  15           HB2      ALA  15   4.055  -1.883  -6.996
  101   2HB   ALA  15           HB1      ALA  15   3.094  -2.868  -8.097
  102   3HB   ALA  15           HB3      ALA  15   4.181  -1.637  -8.736
  103    H    ILE  16           HN       ILE  16   1.583   0.077  -5.665
  104    HA   ILE  16           HA       ILE  16   0.232  -2.095  -4.497
  105    HB   ILE  16           HB       ILE  16   0.784   0.193  -3.469
  106   1HG1  ILE  16          HG12      ILE  16  -1.958  -1.057  -3.069
  107   2HG1  ILE  16          HG11      ILE  16  -0.476  -1.506  -2.232
  108   1HG2  ILE  16          HG22      ILE  16  -0.588   1.304  -5.412
  109   2HG2  ILE  16          HG21      ILE  16  -1.979   0.954  -4.392
  110   3HG2  ILE  16          HG23      ILE  16  -0.687   1.991  -3.795
  111   1HD1  ILE  16           HD3      ILE  16  -0.358   0.929  -1.436
  112   2HD1  ILE  16           HD2      ILE  16  -2.011   1.097  -2.020
  113   3HD1  ILE  16           HD1      ILE  16  -1.643  -0.048  -0.733
  114    NH1  ARG  17           NH1      ARG  17  -0.516   3.728 -10.039
  115    NH2  ARG  17           NH2      ARG  17  -1.746   5.641 -10.256
  116    H    ARG  17           HN       ARG  17  -0.667  -0.181  -7.188
  117    HA   ARG  17           HA       ARG  17  -3.516  -0.467  -7.063
  118   1HB   ARG  17           HB2      ARG  17  -1.737  -0.265  -9.508
  119   2HB   ARG  17           HB1      ARG  17  -3.470   0.039  -9.469
  120   1HG   ARG  17           HG2      ARG  17  -2.681   1.684  -7.465
  121   2HG   ARG  17           HG1      ARG  17  -1.229   1.719  -8.460
  122   1HD   ARG  17           HD2      ARG  17  -2.702   2.236 -10.452
  123   2HD   ARG  17           HD1      ARG  17  -4.057   2.396  -9.335
  124    HE   ARG  17           HE       ARG  17  -3.015   4.382  -8.421
  125   1HH1  ARG  17          HH11      ARG  17  -0.438   2.794  -9.686
  126   2HH1  ARG  17          HH12      ARG  17   0.236   4.128 -10.562
  127   1HH2  ARG  17          HH21      ARG  17  -2.590   6.142 -10.067
  128   2HH2  ARG  17          HH22      ARG  17  -1.015   6.073 -10.782
  129    NH1  ARG  18           NH1      ARG  18  -2.072  -1.062 -12.731
  130    NH2  ARG  18           NH2      ARG  18  -0.058  -0.613 -13.713
  131    H    ARG  18           HN       ARG  18  -0.984  -2.447  -8.545
  132    HA   ARG  18           HA       ARG  18  -2.742  -4.391  -9.704
  133   1HB   ARG  18           HB2      ARG  18   0.161  -4.335  -8.957
  134   2HB   ARG  18           HB1      ARG  18  -0.577  -5.868  -9.407
  135   1HG   ARG  18           HG2      ARG  18   0.397  -4.714 -11.380
  136   2HG   ARG  18           HG1      ARG  18  -1.347  -4.892 -11.534
  137   1HD   ARG  18           HD2      ARG  18  -1.721  -2.597 -10.901
  138   2HD   ARG  18           HD1      ARG  18  -0.039  -2.395 -10.413
  139    HE   ARG  18           HE       ARG  18   0.246  -3.045 -13.041
  140   1HH1  ARG  18          HH11      ARG  18  -2.634  -1.670 -12.171
  141   2HH1  ARG  18          HH12      ARG  18  -2.461  -0.217 -13.096
  142   1HH2  ARG  18          HH21      ARG  18   0.888  -0.883 -13.887
  143   2HH2  ARG  18          HH22      ARG  18  -0.413   0.241 -14.094
  144    H    LEU  19           HN       LEU  19  -1.416  -3.972  -6.505
  145    HA   LEU  19           HA       LEU  19  -1.778  -6.520  -5.387
  146   1HB   LEU  19           HB2      LEU  19  -0.843  -4.454  -4.247
  147   2HB   LEU  19           HB1      LEU  19  -2.503  -3.935  -3.989
  148    HG   LEU  19           HG       LEU  19  -2.676  -6.480  -3.060
  149   1HD1  LEU  19          HD11      LEU  19  -0.249  -6.865  -3.488
  150   2HD1  LEU  19          HD13      LEU  19   0.135  -5.538  -2.396
  151   3HD1  LEU  19          HD12      LEU  19  -0.643  -6.991  -1.777
  152   1HD2  LEU  19          HD23      LEU  19  -1.684  -4.038  -1.547
  153   2HD2  LEU  19          HD22      LEU  19  -3.367  -4.470  -1.834
  154   3HD2  LEU  19          HD21      LEU  19  -2.366  -5.475  -0.790
  155    H    LEU  20           HN       LEU  20  -4.166  -3.973  -5.934
  156    HA   LEU  20           HA       LEU  20  -6.346  -5.426  -4.695
  157   1HB   LEU  20           HB2      LEU  20  -6.369  -3.138  -6.682
  158   2HB   LEU  20           HB1      LEU  20  -7.777  -3.719  -5.799
  159    HG   LEU  20           HG       LEU  20  -5.366  -3.092  -4.166
  160   1HD1  LEU  20          HD11      LEU  20  -6.998  -1.028  -5.663
  161   2HD1  LEU  20          HD13      LEU  20  -6.177  -0.640  -4.154
  162   3HD1  LEU  20          HD12      LEU  20  -5.245  -1.158  -5.556
  163   1HD2  LEU  20          HD21      LEU  20  -7.521  -3.874  -3.199
  164   2HD2  LEU  20          HD23      LEU  20  -7.112  -2.256  -2.636
  165   3HD2  LEU  20          HD22      LEU  20  -8.329  -2.470  -3.890
  166    H    ALA  21           HN       ALA  21  -5.522  -4.754  -8.094
  167    HA   ALA  21           HA       ALA  21  -7.540  -6.264  -9.327
  168   1HB   ALA  21           HB3      ALA  21  -4.955  -5.185 -10.083
  169   2HB   ALA  21           HB2      ALA  21  -5.250  -6.731 -10.872
  170   3HB   ALA  21           HB1      ALA  21  -6.396  -5.411 -11.071
  171    H    GLU  22           HN       GLU  22  -4.629  -7.335  -7.730
  172    HA   GLU  22           HA       GLU  22  -4.710 -10.052  -8.725
  173   1HB   GLU  22           HB2      GLU  22  -2.696  -8.885  -7.708
  174   2HB   GLU  22           HB1      GLU  22  -3.461  -9.104  -6.139
  175   1HG   GLU  22           HG2      GLU  22  -1.977 -10.982  -6.458
  176   2HG   GLU  22           HG1      GLU  22  -3.616 -11.588  -6.678
  177    H    HIS  23           HN       HIS  23  -6.042  -8.395  -5.926
  178    HA   HIS  23           HA       HIS  23  -7.175 -10.942  -4.913
  179   1HB   HIS  23           HB2      HIS  23  -7.323  -8.148  -3.748
  180   2HB   HIS  23           HB1      HIS  23  -7.827  -9.633  -2.946
  181    HD1  HIS  23           HD1      HIS  23  -5.584 -11.405  -3.260
  182    HD2  HIS  23           HD2      HIS  23  -4.890  -7.439  -2.751
  183    HE1  HIS  23           HE1      HIS  23  -3.301 -11.271  -2.446
  184    H    ASN  24           HN       ASN  24  -8.011  -8.984  -7.281
  185    HA   ASN  24           HA       ASN  24 -10.044  -8.404  -8.307
  186   1HB   ASN  24           HB2      ASN  24 -11.241 -10.527  -6.514
  187   2HB   ASN  24           HB1      ASN  24 -11.813 -10.010  -8.098
  188   1HD2  ASN  24          HD22      ASN  24  -9.991 -13.029  -8.950
  189   2HD2  ASN  24          HD21      ASN  24 -11.507 -12.528  -8.373
  190    H    LEU  25           HN       LEU  25  -9.298  -6.845  -6.085
  191    HA   LEU  25           HA       LEU  25 -11.875  -6.348  -4.664
  192   1HB   LEU  25           HB2      LEU  25  -9.051  -5.411  -4.105
  193   2HB   LEU  25           HB1      LEU  25 -10.452  -4.896  -3.177
  194    HG   LEU  25           HG       LEU  25  -9.636  -7.802  -3.568
  195   1HD1  LEU  25          HD11      LEU  25  -7.987  -6.424  -2.244
  196   2HD1  LEU  25          HD13      LEU  25  -9.284  -6.053  -1.113
  197   3HD1  LEU  25          HD12      LEU  25  -8.741  -7.716  -1.313
  198   1HD2  LEU  25          HD21      LEU  25 -11.942  -6.429  -2.324
  199   2HD2  LEU  25          HD23      LEU  25 -11.789  -8.095  -2.868
  200   3HD2  LEU  25          HD22      LEU  25 -11.174  -7.624  -1.287
  201    H    ASP  26           HN       ASP  26 -13.085  -4.639  -5.207
  202    HA   ASP  26           HA       ASP  26 -12.167  -2.840  -7.328
  203   1HB   ASP  26           HB2      ASP  26 -14.606  -3.812  -6.722
  204   2HB   ASP  26           HB1      ASP  26 -14.694  -2.275  -5.865
  205    H    ALA  27           HN       ALA  27 -10.696  -1.358  -6.679
  206    HA   ALA  27           HA       ALA  27 -10.672  -0.153  -4.059
  207   1HB   ALA  27           HB1      ALA  27  -9.033  -0.125  -6.401
  208   2HB   ALA  27           HB3      ALA  27  -9.351   1.542  -5.932
  209   3HB   ALA  27           HB2      ALA  27  -8.623   0.426  -4.780
  210    H    SER  28           HN       SER  28 -12.250   0.612  -7.056
  211    HA   SER  28           HA       SER  28 -12.784   3.331  -6.868
  212   1HB   SER  28           HB2      SER  28 -13.694   1.476  -8.535
  213   2HB   SER  28           HB1      SER  28 -15.112   1.539  -7.467
  214    HG   SER  28           HG1      SER  28 -14.432   3.999  -7.711
  215    H    ALA  29           HN       ALA  29 -13.887   0.801  -4.785
  216    HA   ALA  29           HA       ALA  29 -15.931   2.509  -3.518
  217   1HB   ALA  29           HB1      ALA  29 -16.191   0.001  -3.840
  218   2HB   ALA  29           HB3      ALA  29 -14.961  -0.203  -2.597
  219   3HB   ALA  29           HB2      ALA  29 -16.488   0.581  -2.204
  220    H    ILE  30           HN       ILE  30 -12.674   1.383  -2.952
  221    HA   ILE  30           HA       ILE  30 -12.612   2.391  -0.200
  222    HB   ILE  30           HB       ILE  30 -10.304   1.527  -1.967
  223   1HG1  ILE  30          HG12      ILE  30 -11.917  -0.293  -1.849
  224   2HG1  ILE  30          HG11      ILE  30 -10.564  -0.688  -0.800
  225   1HG2  ILE  30          HG22      ILE  30 -10.582   2.321   0.884
  226   2HG2  ILE  30          HG21      ILE  30  -9.608   0.888   0.590
  227   3HG2  ILE  30          HG23      ILE  30  -9.183   2.413  -0.176
  228   1HD1  ILE  30           HD3      ILE  30 -12.029   0.481   1.064
  229   2HD1  ILE  30           HD2      ILE  30 -13.354   0.172  -0.052
  230   3HD1  ILE  30           HD1      ILE  30 -12.404  -1.166   0.579
  231    H    LYS  31           HN       LYS  31 -12.238   4.441   0.339
  232    HA   LYS  31           HA       LYS  31 -11.267   6.307  -1.754
  233   1HB   LYS  31           HB2      LYS  31 -13.087   6.485   0.482
  234   2HB   LYS  31           HB1      LYS  31 -11.849   7.730   0.605
  235   1HG   LYS  31           HG2      LYS  31 -12.312   8.407  -1.739
  236   2HG   LYS  31           HG1      LYS  31 -13.570   7.179  -1.837
  237   1HD   LYS  31           HD2      LYS  31 -14.800   8.269  -0.001
  238   2HD   LYS  31           HD1      LYS  31 -13.527   9.476   0.150
  239   1HE   LYS  31           HE2      LYS  31 -14.132  10.557  -1.804
  240   2HE   LYS  31           HE1      LYS  31 -14.737   9.087  -2.554
  241   1HZ   LYS  31           HZ3      LYS  31 -16.071  10.572  -0.360
  242   2HZ   LYS  31           HZ2      LYS  31 -16.522  10.609  -1.997
  243   3HZ   LYS  31           HZ1      LYS  31 -16.659   9.167  -1.112
  244    H    GLY  32           HN       GLY  32  -9.278   7.162  -1.715
  245   1HA   GLY  32           HA2      GLY  32  -7.510   6.444   0.556
  246   2HA   GLY  32           HA1      GLY  32  -6.971   7.023  -1.018
  247    H    THR  33           HN       THR  33  -7.186   7.867   2.127
  248    HA   THR  33           HA       THR  33  -7.241  10.786   1.463
  249    HB   THR  33           HB       THR  33  -8.317  11.128   3.750
  250    HG1  THR  33           HG1      THR  33  -7.599   8.598   3.852
  251   1HG2  THR  33          HG23      THR  33  -9.830   9.262   1.878
  252   2HG2  THR  33          HG22      THR  33 -10.558  10.287   3.111
  253   3HG2  THR  33          HG21      THR  33  -9.780  11.015   1.709
  254    H    GLY  34           HN       GLY  34  -4.908   9.286   1.531
  255   1HA   GLY  34           HA2      GLY  34  -3.656   9.371   4.142
  256   2HA   GLY  34           HA1      GLY  34  -2.820   9.132   2.611
  257    H    VAL  35           HN       VAL  35  -1.209  10.567   3.656
  258    HA   VAL  35           HA       VAL  35  -1.896  13.370   4.062
  259    HB   VAL  35           HB       VAL  35   0.890  12.279   3.671
  260   1HG1  VAL  35          HG12      VAL  35   0.213  14.803   3.974
  261   2HG1  VAL  35          HG11      VAL  35  -0.031  14.348   5.657
  262   3HG1  VAL  35          HG13      VAL  35   1.554  14.158   4.916
  263   1HG2  VAL  35          HG22      VAL  35  -0.919  12.109   6.103
  264   2HG2  VAL  35          HG21      VAL  35  -0.165  10.768   5.246
  265   3HG2  VAL  35          HG23      VAL  35   0.827  11.887   6.174
  266    H    GLY  36           HN       GLY  36  -2.921  13.273   1.770
  267   1HA   GLY  36           HA2      GLY  36  -2.036  15.057   0.021
  268   2HA   GLY  36           HA1      GLY  36  -0.894  13.768  -0.348
  269    H    GLY  37           HN       GLY  37  -3.477  12.094   0.539
  270   1HA   GLY  37           HA2      GLY  37  -5.505  11.439  -0.608
  271   2HA   GLY  37           HA1      GLY  37  -4.959  12.335  -2.023
  272    NH1  ARG  38           NH1      ARG  38   0.413  12.170  -5.625
  273    NH2  ARG  38           NH2      ARG  38  -0.972  13.199  -4.127
  274    H    ARG  38           HN       ARG  38  -2.625  10.373  -0.459
  275    HA   ARG  38           HA       ARG  38  -2.489   8.627  -2.821
  276   1HB   ARG  38           HB2      ARG  38  -0.771   9.155  -0.436
  277   2HB   ARG  38           HB1      ARG  38  -0.582   7.615  -1.264
  278   1HG   ARG  38           HG2      ARG  38   0.942   9.335  -2.201
  279   2HG   ARG  38           HG1      ARG  38  -0.224   8.790  -3.402
  280   1HD   ARG  38           HD2      ARG  38  -1.566  10.764  -3.126
  281   2HD   ARG  38           HD1      ARG  38  -0.691  11.236  -1.672
  282    HE   ARG  38           HE       ARG  38   1.335  11.431  -3.312
  283   1HH1  ARG  38          HH11      ARG  38   1.106  11.473  -5.811
  284   2HH1  ARG  38          HH12      ARG  38   0.089  12.761  -6.362
  285   1HH2  ARG  38          HH21      ARG  38  -1.317  13.274  -3.192
  286   2HH2  ARG  38          HH22      ARG  38  -1.320  13.809  -4.840
  287    H    LEU  39           HN       LEU  39  -3.547   6.757  -2.959
  288    HA   LEU  39           HA       LEU  39  -5.052   5.668  -0.761
  289   1HB   LEU  39           HB2      LEU  39  -5.844   5.266  -2.995
  290   2HB   LEU  39           HB1      LEU  39  -4.307   4.564  -3.480
  291    HG   LEU  39           HG       LEU  39  -4.664   2.619  -2.085
  292   1HD1  LEU  39          HD12      LEU  39  -6.933   4.280  -0.970
  293   2HD1  LEU  39          HD11      LEU  39  -6.920   2.527  -0.798
  294   3HD1  LEU  39          HD13      LEU  39  -5.626   3.489  -0.093
  295   1HD2  LEU  39          HD22      LEU  39  -7.249   3.385  -3.483
  296   2HD2  LEU  39          HD21      LEU  39  -5.860   2.616  -4.245
  297   3HD2  LEU  39          HD23      LEU  39  -6.787   1.749  -3.024
  298    H    THR  40           HN       THR  40  -3.955   4.932   0.978
  299    HA   THR  40           HA       THR  40  -1.532   3.260   0.552
  300    HB   THR  40           HB       THR  40  -0.994   3.713   2.861
  301    HG1  THR  40           HG1      THR  40  -2.733   3.505   4.063
  302   1HG2  THR  40          HG23      THR  40  -1.219   5.819   1.224
  303   2HG2  THR  40          HG22      THR  40  -2.573   6.206   2.282
  304   3HG2  THR  40          HG21      THR  40  -0.950   6.060   2.948
  305    NH1  ARG  41           NH2      ARG  41   0.027  -5.773   3.422
  306    NH2  ARG  41           NH1      ARG  41  -0.733  -6.017   5.564
  307    H    ARG  41           HN       ARG  41  -1.331   1.367   2.113
  308    HA   ARG  41           HA       ARG  41  -3.505  -0.458   1.628
  309   1HB   ARG  41           HB2      ARG  41  -1.305  -1.368   1.811
  310   2HB   ARG  41           HB1      ARG  41  -1.047  -0.613   3.378
  311   1HG   ARG  41           HG2      ARG  41  -2.411  -2.143   4.488
  312   2HG   ARG  41           HG1      ARG  41  -3.366  -2.490   3.052
  313   1HD   ARG  41           HD2      ARG  41  -1.722  -3.920   2.151
  314   2HD   ARG  41           HD1      ARG  41  -0.442  -3.223   3.142
  315    HE   ARG  41           HE       ARG  41  -2.553  -4.571   4.671
  316   1HH1  ARG  41          HH21      ARG  41  -0.052  -5.325   2.532
  317   2HH1  ARG  41          HH22      ARG  41   0.737  -6.460   3.576
  318   1HH2  ARG  41          HH11      ARG  41  -1.381  -5.752   6.277
  319   2HH2  ARG  41          HH12      ARG  41  -0.035  -6.707   5.753
  320    H    GLU  42           HN       GLU  42  -2.828   1.788   4.138
  321    HA   GLU  42           HA       GLU  42  -4.210   0.584   6.319
  322   1HB   GLU  42           HB2      GLU  42  -4.131   3.543   5.695
  323   2HB   GLU  42           HB1      GLU  42  -4.302   2.791   7.277
  324   1HG   GLU  42           HG2      GLU  42  -1.871   2.557   5.467
  325   2HG   GLU  42           HG1      GLU  42  -1.975   3.545   6.922
  326    H    ASP  43           HN       ASP  43  -5.356   2.630   3.675
  327    HA   ASP  43           HA       ASP  43  -8.087   2.744   4.628
  328   1HB   ASP  43           HB2      ASP  43  -6.972   3.192   1.845
  329   2HB   ASP  43           HB1      ASP  43  -8.587   3.647   2.384
  330    H    VAL  44           HN       VAL  44  -6.239   0.439   2.861
  331    HA   VAL  44           HA       VAL  44  -8.678  -0.954   1.899
  332    HB   VAL  44           HB       VAL  44  -5.759  -1.657   1.487
  333   1HG1  VAL  44          HG11      VAL  44  -8.339  -2.622   0.207
  334   2HG1  VAL  44          HG13      VAL  44  -6.732  -3.003  -0.406
  335   3HG1  VAL  44          HG12      VAL  44  -7.228  -3.580   1.182
  336   1HG2  VAL  44          HG23      VAL  44  -7.286   0.484   0.420
  337   2HG2  VAL  44          HG22      VAL  44  -5.709  -0.075  -0.128
  338   3HG2  VAL  44          HG21      VAL  44  -7.175  -0.725  -0.855
  339    H    GLU  45           HN       GLU  45  -6.360  -1.068   4.431
  340    HA   GLU  45           HA       GLU  45  -6.196  -3.735   5.172
  341   1HB   GLU  45           HB2      GLU  45  -5.165  -1.881   6.445
  342   2HB   GLU  45           HB1      GLU  45  -6.755  -1.419   7.045
  343   1HG   GLU  45           HG2      GLU  45  -6.994  -3.451   8.277
  344   2HG   GLU  45           HG1      GLU  45  -5.651  -4.213   7.428
  345    H    LYS  46           HN       LYS  46  -8.667  -1.603   6.591
  346    HA   LYS  46           HA       LYS  46 -10.322  -3.534   7.700
  347   1HB   LYS  46           HB2      LYS  46 -10.609  -0.996   7.749
  348   2HB   LYS  46           HB1      LYS  46 -11.426  -1.156   6.198
  349   1HG   LYS  46           HG2      LYS  46 -12.632  -3.125   7.738
  350   2HG   LYS  46           HG1      LYS  46 -12.395  -1.815   8.890
  351   1HD   LYS  46           HD2      LYS  46 -13.468  -0.242   7.276
  352   2HD   LYS  46           HD1      LYS  46 -13.764  -1.594   6.188
  353   1HE   LYS  46           HE2      LYS  46 -14.937  -1.112   8.931
  354   2HE   LYS  46           HE1      LYS  46 -15.790  -1.354   7.412
  355   1HZ   LYS  46           HZ1      LYS  46 -14.421  -3.621   7.566
  356   2HZ   LYS  46           HZ3      LYS  46 -14.634  -3.303   9.221
  357   3HZ   LYS  46           HZ2      LYS  46 -15.985  -3.428   8.200
  358    H    HIS  47           HN       HIS  47  -9.786  -2.900   4.356
  359    HA   HIS  47           HA       HIS  47 -12.201  -4.296   3.451
  360   1HB   HIS  47           HB2      HIS  47 -10.731  -2.417   2.260
  361   2HB   HIS  47           HB1      HIS  47  -9.885  -3.827   1.627
  362    HD1  HIS  47           HD1      HIS  47 -13.510  -3.104   2.085
  363    HD2  HIS  47           HD2      HIS  47 -10.984  -4.472  -0.780
  364    HE1  HIS  47           HE1      HIS  47 -14.932  -3.599   0.184
  365    H    LEU  48           HN       LEU  48  -8.708  -4.946   3.470
  366    HA   LEU  48           HA       LEU  48  -8.974  -7.613   2.394
  367   1HB   LEU  48           HB2      LEU  48  -6.800  -6.014   3.662
  368   2HB   LEU  48           HB1      LEU  48  -6.601  -7.762   3.617
  369    HG   LEU  48           HG       LEU  48  -7.464  -6.302   1.128
  370   1HD1  LEU  48          HD12      LEU  48  -4.639  -6.553   2.215
  371   2HD1  LEU  48          HD11      LEU  48  -5.007  -6.165   0.538
  372   3HD1  LEU  48          HD13      LEU  48  -5.492  -5.064   1.823
  373   1HD2  LEU  48          HD22      LEU  48  -7.177  -8.935   1.671
  374   2HD2  LEU  48          HD21      LEU  48  -6.853  -8.263   0.076
  375   3HD2  LEU  48          HD23      LEU  48  -5.523  -8.566   1.189
  376    H    ALA  49           HN       ALA  49 -10.165  -6.481   5.163
  377    HA   ALA  49           HA       ALA  49  -9.270  -8.482   7.067
  378   1HB   ALA  49           HB3      ALA  49 -10.305  -6.193   7.589
  379   2HB   ALA  49           HB2      ALA  49 -11.858  -6.935   7.219
  380   3HB   ALA  49           HB1      ALA  49 -10.881  -7.552   8.548
  381    H    LYS  50           HN       LYS  50 -12.004  -9.057   8.034
  382    HA   LYS  50           HA       LYS  50 -12.424 -11.614   7.035
  383   1HB   LYS  50           HB2      LYS  50 -14.724  -9.799   7.765
  384   2HB   LYS  50           HB1      LYS  50 -14.603 -11.540   7.996
  385   1HG   LYS  50           HG2      LYS  50 -13.904 -11.031  10.100
  386   2HG   LYS  50           HG1      LYS  50 -12.373 -10.609   9.339
  387   1HD   LYS  50           HD2      LYS  50 -13.376  -8.278   8.955
  388   2HD   LYS  50           HD1      LYS  50 -14.662  -8.761  10.056
  389   1HE   LYS  50           HE2      LYS  50 -12.983  -9.249  11.805
  390   2HE   LYS  50           HE1      LYS  50 -11.696  -8.775  10.705
  391   1HZ   LYS  50           HZ1      LYS  50 -12.740  -6.562  10.576
  392   2HZ   LYS  50           HZ3      LYS  50 -13.857  -7.043  11.760
  393   3HZ   LYS  50           HZ2      LYS  50 -12.203  -6.959  12.137
  394    H    ALA  51           HN       ALA  51 -13.797  -8.593   5.791
  395    HA   ALA  51           HA       ALA  51 -15.297  -9.882   3.678
  396   1HB   ALA  51           HB3      ALA  51 -15.639  -7.526   4.686
  397   2HB   ALA  51           HB2      ALA  51 -14.343  -7.023   3.605
  398   3HB   ALA  51           HB1      ALA  51 -15.829  -7.698   2.944
   
 Raw file had 398 H/Q atoms
  Start of MODEL   47
    1    OH   TYR   1           OH       TYR   1  31.107   1.671 -12.127
    2   1H    TYR   1           HT2      TYR   1  25.890   0.169  -8.180
    3   2H    TYR   1           HT1      TYR   1  26.875   0.590  -9.496
    4   3H    TYR   1           HT3      TYR   1  27.306   1.070  -7.926
    5    HA   TYR   1           HA       TYR   1  26.128   2.915  -8.078
    6   1HB   TYR   1           HB2      TYR   1  25.136   2.160 -10.812
    7   2HB   TYR   1           HB1      TYR   1  25.656   3.735 -10.219
    8    HD1  TYR   1           HD2      TYR   1  28.058   4.253  -9.999
    9    HD2  TYR   1           HD1      TYR   1  26.776   0.496 -11.530
   10    HE1  TYR   1           HE2      TYR   1  30.321   3.820 -10.835
   11    HE2  TYR   1           HE1      TYR   1  29.040   0.065 -12.366
   12    HH   TYR   1           HH       TYR   1  31.390   2.439 -12.629
   13    H    ALA   2           HN       ALA   2  24.626  -0.021  -8.145
   14    HA   ALA   2           HA       ALA   2  21.873   1.062  -8.277
   15   1HB   ALA   2           HB2      ALA   2  22.480  -1.129  -9.357
   16   2HB   ALA   2           HB1      ALA   2  22.761  -1.784  -7.747
   17   3HB   ALA   2           HB3      ALA   2  21.149  -1.245  -8.210
   18    H    SER   3           HN       SER   3  21.438   2.178  -6.433
   19    HA   SER   3           HA       SER   3  21.372   0.610  -3.927
   20   1HB   SER   3           HB2      SER   3  22.961   3.165  -4.282
   21   2HB   SER   3           HB1      SER   3  22.452   2.568  -2.690
   22    HG   SER   3           HG1      SER   3  24.547   1.778  -3.655
   23    H    LEU   4           HN       LEU   4  21.249   3.828  -3.187
   24    HA   LEU   4           HA       LEU   4  18.603   3.946  -2.371
   25   1HB   LEU   4           HB2      LEU   4  20.551   6.015  -3.282
   26   2HB   LEU   4           HB1      LEU   4  18.876   6.506  -3.058
   27    HG   LEU   4           HG       LEU   4  20.204   4.864  -0.921
   28   1HD1  LEU   4          HD13      LEU   4  20.605   7.823  -1.448
   29   2HD1  LEU   4          HD12      LEU   4  20.865   7.095   0.134
   30   3HD1  LEU   4          HD11      LEU   4  21.847   6.593  -1.237
   31   1HD2  LEU   4          HD21      LEU   4  17.693   5.773  -1.167
   32   2HD2  LEU   4          HD23      LEU   4  18.487   5.687   0.402
   33   3HD2  LEU   4          HD22      LEU   4  18.414   7.218  -0.464
   34    H    GLU   5           HN       GLU   5  16.767   3.616  -3.445
   35    HA   GLU   5           HA       GLU   5  16.404   3.302  -6.176
   36   1HB   GLU   5           HB2      GLU   5  14.591   4.167  -3.966
   37   2HB   GLU   5           HB1      GLU   5  14.000   4.299  -5.619
   38   1HG   GLU   5           HG2      GLU   5  13.457   2.084  -4.590
   39   2HG   GLU   5           HG1      GLU   5  14.482   1.925  -6.015
   40    H    GLU   6           HN       GLU   6  17.568   4.785  -7.407
   41    HA   GLU   6           HA       GLU   6  16.855   7.654  -7.160
   42   1HB   GLU   6           HB2      GLU   6  18.770   8.108  -8.491
   43   2HB   GLU   6           HB1      GLU   6  19.260   6.802  -7.417
   44   1HG   GLU   6           HG2      GLU   6  18.431   5.234  -9.341
   45   2HG   GLU   6           HG1      GLU   6  18.568   6.671 -10.350
   46    H    GLN   7           HN       GLN   7  15.316   5.244  -8.461
   47    HA   GLN   7           HA       GLN   7  14.953   6.350 -11.185
   48   1HB   GLN   7           HB2      GLN   7  13.536   3.983  -9.949
   49   2HB   GLN   7           HB1      GLN   7  13.708   4.357 -11.661
   50   1HG   GLN   7           HG2      GLN   7  16.254   4.211 -11.259
   51   2HG   GLN   7           HG1      GLN   7  15.848   3.448  -9.724
   52   1HE2  GLN   7          HE22      GLN   7  14.831   0.390 -11.198
   53   2HE2  GLN   7          HE21      GLN   7  14.874   1.320  -9.779
   54    H    ASN   8           HN       ASN   8  12.328   5.849 -11.684
   55    HA   ASN   8           HA       ASN   8  11.020   8.144 -10.594
   56   1HB   ASN   8           HB2      ASN   8  10.004   5.724 -12.088
   57   2HB   ASN   8           HB1      ASN   8   8.932   7.027 -11.582
   58   1HD2  ASN   8          HD22      ASN   8  11.792   8.805 -13.765
   59   2HD2  ASN   8          HD21      ASN   8  12.051   8.238 -12.186
   60    H    ASN   9           HN       ASN   9  11.423   4.964  -9.393
   61    HA   ASN   9           HA       ASN   9   9.154   4.495  -7.839
   62   1HB   ASN   9           HB2      ASN   9  11.752   3.465  -7.957
   63   2HB   ASN   9           HB1      ASN   9  11.559   3.991  -6.286
   64   1HD2  ASN   9          HD22      ASN   9   8.633   1.806  -5.832
   65   2HD2  ASN   9          HD21      ASN   9   9.044   3.430  -5.562
   66    H    ASP  10           HN       ASP  10   9.086   4.715  -5.361
   67    HA   ASP  10           HA       ASP  10  10.248   7.244  -4.369
   68   1HB   ASP  10           HB2      ASP  10   7.268   6.894  -4.151
   69   2HB   ASP  10           HB1      ASP  10   8.220   8.367  -3.986
   70    H    ALA  11           HN       ALA  11   7.952   7.146  -2.338
   71    HA   ALA  11           HA       ALA  11   9.255   5.124  -0.581
   72   1HB   ALA  11           HB2      ALA  11   8.744   7.716  -0.065
   73   2HB   ALA  11           HB1      ALA  11   7.233   7.014   0.504
   74   3HB   ALA  11           HB3      ALA  11   8.764   6.489   1.197
   75    H    LEU  12           HN       LEU  12   7.053   4.757  -2.701
   76    HA   LEU  12           HA       LEU  12   4.875   3.709  -0.972
   77   1HB   LEU  12           HB2      LEU  12   4.980   3.719  -3.993
   78   2HB   LEU  12           HB1      LEU  12   3.560   3.553  -2.967
   79    HG   LEU  12           HG       LEU  12   5.325   6.014  -3.180
   80   1HD1  LEU  12          HD12      LEU  12   3.438   5.235  -4.953
   81   2HD1  LEU  12          HD11      LEU  12   2.405   6.036  -3.773
   82   3HD1  LEU  12          HD13      LEU  12   3.712   6.927  -4.549
   83   1HD2  LEU  12          HD22      LEU  12   3.052   5.238  -1.363
   84   2HD2  LEU  12          HD21      LEU  12   4.566   6.040  -0.956
   85   3HD2  LEU  12          HD23      LEU  12   3.296   6.929  -1.789
   86    H    SER  13           HN       SER  13   4.072   1.532  -1.335
   87    HA   SER  13           HA       SER  13   6.237  -0.384  -1.506
   88   1HB   SER  13           HB2      SER  13   4.026  -0.439  -0.069
   89   2HB   SER  13           HB1      SER  13   3.380  -1.253  -1.508
   90    HG   SER  13           HG1      SER  13   5.220  -2.630  -1.432
   91    HA   PRO  14           HA       PRO  14   5.676  -0.724  -6.013
   92   1HB   PRO  14           HB2      PRO  14   7.351  -3.058  -6.105
   93   2HB   PRO  14           HB1      PRO  14   7.728  -1.425  -6.655
   94   1HG   PRO  14           HG2      PRO  14   8.756  -2.771  -4.313
   95   2HG   PRO  14           HG1      PRO  14   9.113  -1.129  -4.850
   96   1HD   PRO  14           HD1      PRO  14   7.477  -1.952  -2.613
   97   2HD   PRO  14           HD2      PRO  14   7.857  -0.298  -3.135
   98    H    ALA  15           HN       ALA  15   4.766  -2.765  -3.544
   99    HA   ALA  15           HA       ALA  15   3.650  -4.862  -5.315
  100   1HB   ALA  15           HB1      ALA  15   3.886  -4.534  -2.329
  101   2HB   ALA  15           HB3      ALA  15   2.823  -5.753  -3.023
  102   3HB   ALA  15           HB2      ALA  15   4.552  -5.805  -3.350
  103    H    ILE  16           HN       ILE  16   2.769  -1.855  -4.352
  104    HA   ILE  16           HA       ILE  16  -0.074  -2.422  -3.837
  105    HB   ILE  16           HB       ILE  16   1.404  -0.479  -2.865
  106   1HG1  ILE  16          HG12      ILE  16  -1.425  -0.143  -3.918
  107   2HG1  ILE  16          HG11      ILE  16  -0.953  -0.722  -2.325
  108   1HG2  ILE  16          HG21      ILE  16   1.913   0.223  -5.323
  109   2HG2  ILE  16          HG23      ILE  16   0.307   0.946  -5.285
  110   3HG2  ILE  16          HG22      ILE  16   1.543   1.487  -4.155
  111   1HD1  ILE  16           HD3      ILE  16   0.291   1.582  -2.140
  112   2HD1  ILE  16           HD2      ILE  16  -0.786   2.070  -3.445
  113   3HD1  ILE  16           HD1      ILE  16  -1.453   1.537  -1.906
  114    NH1  ARG  17           NH2      ARG  17   5.699  -1.821  -9.156
  115    NH2  ARG  17           NH1      ARG  17   7.058   0.012  -9.052
  116    H    ARG  17           HN       ARG  17   1.719  -2.527  -6.524
  117    HA   ARG  17           HA       ARG  17  -0.173  -1.078  -8.285
  118   1HB   ARG  17           HB2      ARG  17   2.265  -2.689  -9.074
  119   2HB   ARG  17           HB1      ARG  17   1.412  -1.501 -10.053
  120   1HG   ARG  17           HG2      ARG  17   1.946   0.158  -8.121
  121   2HG   ARG  17           HG1      ARG  17   3.133  -1.039  -7.616
  122   1HD   ARG  17           HD2      ARG  17   3.723  -0.925 -10.255
  123   2HD   ARG  17           HD1      ARG  17   3.121   0.715 -10.022
  124    HE   ARG  17           HE       ARG  17   4.888   1.050  -8.342
  125   1HH1  ARG  17          HH21      ARG  17   4.776  -2.205  -9.136
  126   2HH1  ARG  17          HH22      ARG  17   6.488  -2.424  -9.274
  127   1HH2  ARG  17          HH11      ARG  17   7.154   1.003  -8.952
  128   2HH2  ARG  17          HH12      ARG  17   7.871  -0.559  -9.168
  129    NH1  ARG  18           NH2      ARG  18   4.582  -9.104 -10.541
  130    NH2  ARG  18           NH1      ARG  18   5.656  -7.762  -9.035
  131    H    ARG  18           HN       ARG  18   1.311  -4.318  -8.351
  132    HA   ARG  18           HA       ARG  18  -0.861  -5.395  -9.953
  133   1HB   ARG  18           HB2      ARG  18   1.454  -6.673  -8.487
  134   2HB   ARG  18           HB1      ARG  18   0.286  -7.604  -9.418
  135   1HG   ARG  18           HG2      ARG  18   0.818  -6.256 -11.427
  136   2HG   ARG  18           HG1      ARG  18   1.988  -5.330 -10.495
  137   1HD   ARG  18           HD2      ARG  18   2.191  -8.335 -10.584
  138   2HD   ARG  18           HD1      ARG  18   2.827  -7.374 -11.918
  139    HE   ARG  18           HE       ARG  18   3.911  -6.163  -9.679
  140   1HH1  ARG  18          HH21      ARG  18   3.824  -9.239 -11.178
  141   2HH1  ARG  18          HH22      ARG  18   5.261  -9.826 -10.411
  142   1HH2  ARG  18          HH11      ARG  18   5.703  -6.892  -8.545
  143   2HH2  ARG  18          HH12      ARG  18   6.353  -8.462  -8.880
  144    H    LEU  19           HN       LEU  19  -1.169  -4.280  -7.060
  145    HA   LEU  19           HA       LEU  19  -2.242  -6.573  -5.594
  146   1HB   LEU  19           HB2      LEU  19  -1.248  -4.242  -4.741
  147   2HB   LEU  19           HB1      LEU  19  -2.936  -3.766  -4.849
  148    HG   LEU  19           HG       LEU  19  -3.507  -5.850  -3.499
  149   1HD1  LEU  19          HD13      LEU  19  -0.686  -6.303  -3.881
  150   2HD1  LEU  19          HD12      LEU  19  -0.998  -6.109  -2.161
  151   3HD1  LEU  19          HD11      LEU  19  -1.858  -7.340  -3.079
  152   1HD2  LEU  19          HD21      LEU  19  -3.402  -3.580  -2.506
  153   2HD2  LEU  19          HD23      LEU  19  -2.862  -4.804  -1.361
  154   3HD2  LEU  19          HD22      LEU  19  -1.683  -3.800  -2.199
  155    H    LEU  20           HN       LEU  20  -3.766  -3.547  -6.693
  156    HA   LEU  20           HA       LEU  20  -6.442  -4.381  -6.396
  157   1HB   LEU  20           HB2      LEU  20  -5.073  -2.363  -8.137
  158   2HB   LEU  20           HB1      LEU  20  -6.776  -2.708  -8.414
  159    HG   LEU  20           HG       LEU  20  -5.906  -2.250  -5.589
  160   1HD1  LEU  20          HD12      LEU  20  -6.253  -0.054  -7.659
  161   2HD1  LEU  20          HD11      LEU  20  -6.157   0.210  -5.920
  162   3HD1  LEU  20          HD13      LEU  20  -4.768  -0.434  -6.790
  163   1HD2  LEU  20          HD22      LEU  20  -8.278  -2.815  -6.512
  164   2HD2  LEU  20          HD21      LEU  20  -8.141  -1.507  -5.341
  165   3HD2  LEU  20          HD23      LEU  20  -8.302  -1.141  -7.056
  166    H    ALA  21           HN       ALA  21  -4.137  -5.671  -8.439
  167    HA   ALA  21           HA       ALA  21  -6.160  -6.573 -10.441
  168   1HB   ALA  21           HB3      ALA  21  -3.555  -5.651 -10.750
  169   2HB   ALA  21           HB2      ALA  21  -3.408  -7.397 -10.934
  170   3HB   ALA  21           HB1      ALA  21  -4.506  -6.492 -11.971
  171    H    GLU  22           HN       GLU  22  -4.231  -7.650  -7.801
  172    HA   GLU  22           HA       GLU  22  -4.420 -10.490  -8.549
  173   1HB   GLU  22           HB2      GLU  22  -2.509  -9.325  -7.220
  174   2HB   GLU  22           HB1      GLU  22  -3.588  -9.487  -5.842
  175   1HG   GLU  22           HG2      GLU  22  -2.299 -11.481  -5.796
  176   2HG   GLU  22           HG1      GLU  22  -3.811 -11.972  -6.554
  177    H    HIS  23           HN       HIS  23  -5.832  -8.315  -6.131
  178    HA   HIS  23           HA       HIS  23  -7.698 -10.490  -5.309
  179   1HB   HIS  23           HB2      HIS  23  -7.501  -7.752  -4.053
  180   2HB   HIS  23           HB1      HIS  23  -8.118  -9.240  -3.338
  181    HD1  HIS  23           HD1      HIS  23  -6.377 -10.690  -2.294
  182    HD2  HIS  23           HD2      HIS  23  -4.630  -7.694  -4.394
  183    HE1  HIS  23           HE1      HIS  23  -4.020 -10.820  -1.725
  184    H    ASN  24           HN       ASN  24  -7.570  -7.424  -6.938
  185    HA   ASN  24           HA       ASN  24  -9.207  -6.270  -8.162
  186   1HB   ASN  24           HB2      ASN  24  -9.577  -8.753  -8.901
  187   2HB   ASN  24           HB1      ASN  24 -11.028  -8.651  -7.907
  188   1HD2  ASN  24          HD22      ASN  24 -11.111  -7.079 -11.565
  189   2HD2  ASN  24          HD21      ASN  24  -9.943  -8.188 -11.028
  190    H    LEU  25           HN       LEU  25  -9.440  -4.908  -6.266
  191    HA   LEU  25           HA       LEU  25 -11.995  -5.365  -4.770
  192   1HB   LEU  25           HB2      LEU  25  -9.571  -3.709  -4.025
  193   2HB   LEU  25           HB1      LEU  25 -11.036  -3.830  -3.061
  194    HG   LEU  25           HG       LEU  25  -9.289  -6.193  -3.853
  195   1HD1  LEU  25          HD12      LEU  25  -8.234  -4.567  -2.233
  196   2HD1  LEU  25          HD11      LEU  25  -9.588  -4.855  -1.145
  197   3HD1  LEU  25          HD13      LEU  25  -8.496  -6.172  -1.557
  198   1HD2  LEU  25          HD22      LEU  25 -11.872  -5.877  -2.365
  199   2HD2  LEU  25          HD21      LEU  25 -11.348  -7.177  -3.428
  200   3HD2  LEU  25          HD23      LEU  25 -10.734  -7.085  -1.782
  201    H    ASP  26           HN       ASP  26 -13.577  -3.851  -4.865
  202    HA   ASP  26           HA       ASP  26 -13.159  -1.620  -6.777
  203   1HB   ASP  26           HB2      ASP  26 -15.678  -2.751  -5.528
  204   2HB   ASP  26           HB1      ASP  26 -15.645  -1.425  -6.689
  205    H    ALA  27           HN       ALA  27 -11.980  -0.200  -5.432
  206    HA   ALA  27           HA       ALA  27 -12.528   0.583  -2.813
  207   1HB   ALA  27           HB1      ALA  27 -11.375   1.971  -5.187
  208   2HB   ALA  27           HB3      ALA  27 -11.800   2.962  -3.794
  209   3HB   ALA  27           HB2      ALA  27 -10.646   1.644  -3.617
  210    H    SER  28           HN       SER  28 -14.499   0.994  -5.558
  211    HA   SER  28           HA       SER  28 -15.920   3.344  -5.136
  212   1HB   SER  28           HB2      SER  28 -16.724   0.627  -6.122
  213   2HB   SER  28           HB1      SER  28 -17.984   1.848  -5.853
  214    HG   SER  28           HG1      SER  28 -16.371   3.290  -6.971
  215    H    ALA  29           HN       ALA  29 -16.025   0.393  -3.270
  216    HA   ALA  29           HA       ALA  29 -18.265   1.369  -1.617
  217   1HB   ALA  29           HB1      ALA  29 -16.591  -1.143  -1.615
  218   2HB   ALA  29           HB3      ALA  29 -17.726  -0.787  -0.317
  219   3HB   ALA  29           HB2      ALA  29 -18.308  -0.980  -1.968
  220    H    ILE  30           HN       ILE  30 -14.785   1.050  -1.475
  221    HA   ILE  30           HA       ILE  30 -14.651   1.790   1.359
  222    HB   ILE  30           HB       ILE  30 -12.427   1.692  -0.699
  223   1HG1  ILE  30          HG12      ILE  30 -13.519  -0.480  -0.641
  224   2HG1  ILE  30          HG11      ILE  30 -11.998  -0.608   0.225
  225   1HG2  ILE  30          HG23      ILE  30 -12.544   2.101   2.253
  226   2HG2  ILE  30          HG22      ILE  30 -11.266   1.049   1.663
  227   3HG2  ILE  30          HG21      ILE  30 -11.381   2.704   1.081
  228   1HD1  ILE  30           HD3      ILE  30 -13.461  -0.038   2.343
  229   2HD1  ILE  30           HD2      ILE  30 -14.804  -0.546   1.329
  230   3HD1  ILE  30           HD1      ILE  30 -13.500  -1.670   1.692
  231    H    LYS  31           HN       LYS  31 -13.323   3.701   2.015
  232    HA   LYS  31           HA       LYS  31 -13.431   5.947   0.086
  233   1HB   LYS  31           HB2      LYS  31 -14.974   7.196   1.218
  234   2HB   LYS  31           HB1      LYS  31 -15.495   5.642   1.834
  235   1HG   LYS  31           HG2      LYS  31 -13.553   7.527   3.245
  236   2HG   LYS  31           HG1      LYS  31 -15.236   7.283   3.662
  237   1HD   LYS  31           HD2      LYS  31 -13.817   4.737   3.516
  238   2HD   LYS  31           HD1      LYS  31 -13.087   5.825   4.686
  239   1HE   LYS  31           HE2      LYS  31 -16.025   5.071   4.542
  240   2HE   LYS  31           HE1      LYS  31 -14.872   4.492   5.738
  241   1HZ   LYS  31           HZ1      LYS  31 -14.516   6.877   6.338
  242   2HZ   LYS  31           HZ3      LYS  31 -15.854   7.258   5.363
  243   3HZ   LYS  31           HZ2      LYS  31 -16.050   6.254   6.720
  244    H    GLY  32           HN       GLY  32 -11.831   7.446   0.363
  245   1HA   GLY  32           HA2      GLY  32  -9.742   6.706   2.338
  246   2HA   GLY  32           HA1      GLY  32  -9.501   7.741   0.935
  247    H    THR  33           HN       THR  33  -8.468   8.675   3.180
  248    HA   THR  33           HA       THR  33 -10.297  10.919   3.889
  249    HB   THR  33           HB       THR  33  -9.488  10.722   6.295
  250    HG1  THR  33           HG1      THR  33  -8.395   8.773   6.725
  251   1HG2  THR  33          HG21      THR  33 -11.645   9.562   5.458
  252   2HG2  THR  33          HG23      THR  33 -10.671   8.101   5.325
  253   3HG2  THR  33          HG22      THR  33 -10.904   8.864   6.895
  254    H    GLY  34           HN       GLY  34  -7.528  10.076   2.499
  255   1HA   GLY  34           HA2      GLY  34  -5.458  11.580   3.672
  256   2HA   GLY  34           HA1      GLY  34  -5.598  11.293   1.939
  257    H    VAL  35           HN       VAL  35  -4.584  13.548   2.076
  258    HA   VAL  35           HA       VAL  35  -6.291  15.772   2.808
  259    HB   VAL  35           HB       VAL  35  -3.987  15.914   0.866
  260   1HG1  VAL  35          HG13      VAL  35  -5.422  17.935   1.355
  261   2HG1  VAL  35          HG12      VAL  35  -4.938  17.804   3.043
  262   3HG1  VAL  35          HG11      VAL  35  -3.731  18.141   1.805
  263   1HG2  VAL  35          HG21      VAL  35  -4.011  15.317   3.802
  264   2HG2  VAL  35          HG23      VAL  35  -2.901  14.749   2.559
  265   3HG2  VAL  35          HG22      VAL  35  -2.758  16.388   3.185
  266    H    GLY  36           HN       GLY  36  -8.245  15.661   1.743
  267   1HA   GLY  36           HA2      GLY  36  -9.520  16.552  -0.110
  268   2HA   GLY  36           HA1      GLY  36  -8.131  16.282  -1.158
  269    H    GLY  37           HN       GLY  37  -9.522  13.965   1.103
  270   1HA   GLY  37           HA2      GLY  37 -10.450  11.841   0.730
  271   2HA   GLY  37           HA1      GLY  37 -11.150  12.529  -0.733
  272    NH1  ARG  38           NH2      ARG  38  -1.618  13.847  -1.789
  273    NH2  ARG  38           NH1      ARG  38  -0.812  11.780  -1.239
  274    H    ARG  38           HN       ARG  38  -7.800  11.895   0.291
  275    HA   ARG  38           HA       ARG  38  -7.304  10.660  -2.365
  276   1HB   ARG  38           HB2      ARG  38  -5.722  12.162  -0.442
  277   2HB   ARG  38           HB1      ARG  38  -4.909  10.678  -0.928
  278   1HG   ARG  38           HG2      ARG  38  -5.113  11.263  -3.275
  279   2HG   ARG  38           HG1      ARG  38  -6.124  12.650  -2.888
  280   1HD   ARG  38           HD2      ARG  38  -3.844  13.433  -3.285
  281   2HD   ARG  38           HD1      ARG  38  -4.205  13.607  -1.569
  282    HE   ARG  38           HE       ARG  38  -2.993  11.042  -2.085
  283   1HH1  ARG  38          HH21      ARG  38  -2.369  14.409  -2.134
  284   2HH1  ARG  38          HH22      ARG  38  -0.754  14.275  -1.522
  285   1HH2  ARG  38          HH11      ARG  38  -0.959  10.793  -1.174
  286   2HH2  ARG  38          HH12      ARG  38   0.066  12.174  -0.964
  287    H    LEU  39           HN       LEU  39  -7.550   8.524  -2.505
  288    HA   LEU  39           HA       LEU  39  -7.620   6.806  -0.170
  289   1HB   LEU  39           HB2      LEU  39  -8.824   6.482  -2.434
  290   2HB   LEU  39           HB1      LEU  39  -7.288   5.846  -3.009
  291    HG   LEU  39           HG       LEU  39  -7.458   4.433  -0.736
  292   1HD1  LEU  39          HD13      LEU  39  -9.593   5.526  -0.073
  293   2HD1  LEU  39          HD12      LEU  39 -10.345   4.922  -1.546
  294   3HD1  LEU  39          HD11      LEU  39  -9.799   3.794  -0.310
  295   1HD2  LEU  39          HD21      LEU  39  -8.697   3.942  -3.443
  296   2HD2  LEU  39          HD23      LEU  39  -7.222   3.256  -2.768
  297   3HD2  LEU  39          HD22      LEU  39  -8.792   2.714  -2.184
  298    H    THR  40           HN       THR  40  -6.126   5.216   0.438
  299    HA   THR  40           HA       THR  40  -3.458   5.293  -0.884
  300    HB   THR  40           HB       THR  40  -2.291   5.839   1.105
  301    HG1  THR  40           HG1      THR  40  -3.038   4.461   2.571
  302   1HG2  THR  40          HG23      THR  40  -3.937   7.737   0.466
  303   2HG2  THR  40          HG22      THR  40  -4.975   7.108   1.742
  304   3HG2  THR  40          HG21      THR  40  -3.375   7.731   2.135
  305    NH1  ARG  41           NH2      ARG  41  -0.176   0.597   4.512
  306    NH2  ARG  41           NH1      ARG  41   0.891  -1.409   4.278
  307    H    ARG  41           HN       ARG  41  -2.376   3.732   1.394
  308    HA   ARG  41           HA       ARG  41  -3.469   1.106   0.537
  309   1HB   ARG  41           HB2      ARG  41  -0.996   1.571   0.450
  310   2HB   ARG  41           HB1      ARG  41  -1.009   1.674   2.207
  311   1HG   ARG  41           HG2      ARG  41  -1.897  -0.630   2.339
  312   2HG   ARG  41           HG1      ARG  41  -1.900  -0.734   0.583
  313   1HD   ARG  41           HD2      ARG  41   0.137  -1.776   1.639
  314   2HD   ARG  41           HD1      ARG  41   0.526  -0.476   0.514
  315    HE   ARG  41           HE       ARG  41   1.416   0.718   2.337
  316   1HH1  ARG  41          HH21      ARG  41  -0.468   1.464   4.107
  317   2HH1  ARG  41          HH22      ARG  41  -0.393   0.392   5.467
  318   1HH2  ARG  41          HH11      ARG  41   1.398  -2.047   3.698
  319   2HH2  ARG  41          HH12      ARG  41   0.692  -1.648   5.228
  320    H    GLU  42           HN       GLU  42  -2.591   2.809   3.537
  321    HA   GLU  42           HA       GLU  42  -3.489   0.915   5.387
  322   1HB   GLU  42           HB2      GLU  42  -3.626   2.750   6.937
  323   2HB   GLU  42           HB1      GLU  42  -2.266   3.047   5.878
  324   1HG   GLU  42           HG2      GLU  42  -3.245   5.093   5.584
  325   2HG   GLU  42           HG1      GLU  42  -4.306   4.227   4.476
  326    H    ASP  43           HN       ASP  43  -5.301   2.505   3.055
  327    HA   ASP  43           HA       ASP  43  -7.814   2.418   4.630
  328   1HB   ASP  43           HB2      ASP  43  -6.960   3.664   2.055
  329   2HB   ASP  43           HB1      ASP  43  -8.663   3.252   2.242
  330    H    VAL  44           HN       VAL  44  -6.613   1.208   1.505
  331    HA   VAL  44           HA       VAL  44  -8.822  -0.621   1.144
  332    HB   VAL  44           HB       VAL  44  -6.076  -0.487  -0.126
  333   1HG1  VAL  44          HG11      VAL  44  -8.459  -2.283  -0.642
  334   2HG1  VAL  44          HG13      VAL  44  -7.258  -1.953  -1.887
  335   3HG1  VAL  44          HG12      VAL  44  -6.780  -2.753  -0.392
  336   1HG2  VAL  44          HG23      VAL  44  -8.261   1.180  -0.394
  337   2HG2  VAL  44          HG22      VAL  44  -7.018   0.951  -1.621
  338   3HG2  VAL  44          HG21      VAL  44  -8.514   0.025  -1.699
  339    H    GLU  45           HN       GLU  45  -5.522  -0.960   2.367
  340    HA   GLU  45           HA       GLU  45  -5.252  -3.707   2.613
  341   1HB   GLU  45           HB2      GLU  45  -3.768  -1.698   3.488
  342   2HB   GLU  45           HB1      GLU  45  -4.580  -2.048   5.010
  343   1HG   GLU  45           HG2      GLU  45  -3.009  -4.025   3.321
  344   2HG   GLU  45           HG1      GLU  45  -2.513  -3.359   4.874
  345    H    LYS  46           HN       LYS  46  -7.169  -1.574   4.671
  346    HA   LYS  46           HA       LYS  46  -7.969  -3.759   6.444
  347   1HB   LYS  46           HB2      LYS  46  -8.892  -0.894   6.160
  348   2HB   LYS  46           HB1      LYS  46  -9.558  -2.004   7.350
  349   1HG   LYS  46           HG2      LYS  46  -6.628  -2.026   7.325
  350   2HG   LYS  46           HG1      LYS  46  -7.280  -0.432   7.687
  351   1HD   LYS  46           HD2      LYS  46  -8.278  -2.938   9.069
  352   2HD   LYS  46           HD1      LYS  46  -6.933  -1.992   9.696
  353   1HE   LYS  46           HE2      LYS  46  -9.243  -0.335   8.965
  354   2HE   LYS  46           HE1      LYS  46  -9.616  -1.511  10.219
  355   1HZ   LYS  46           HZ3      LYS  46  -7.616  -0.715  11.413
  356   2HZ   LYS  46           HZ2      LYS  46  -7.459   0.520  10.258
  357   3HZ   LYS  46           HZ1      LYS  46  -8.834   0.457  11.252
  358    H    HIS  47           HN       HIS  47  -8.522  -4.470   3.836
  359    HA   HIS  47           HA       HIS  47 -11.454  -4.779   3.985
  360   1HB   HIS  47           HB2      HIS  47 -10.978  -2.691   2.628
  361   2HB   HIS  47           HB1      HIS  47 -10.177  -3.729   1.451
  362    HD1  HIS  47           HD1      HIS  47 -13.446  -4.018   3.215
  363    HD2  HIS  47           HD2      HIS  47 -11.941  -4.299  -0.543
  364    HE1  HIS  47           HE1      HIS  47 -15.349  -4.592   1.822
  365    H    LEU  48           HN       LEU  48  -8.717  -6.274   3.880
  366    HA   LEU  48           HA       LEU  48  -9.326  -8.137   1.642
  367   1HB   LEU  48           HB2      LEU  48  -6.910  -7.529   3.289
  368   2HB   LEU  48           HB1      LEU  48  -7.060  -9.143   2.606
  369    HG   LEU  48           HG       LEU  48  -7.595  -6.784   0.827
  370   1HD1  LEU  48          HD11      LEU  48  -4.858  -7.790   1.677
  371   2HD1  LEU  48          HD13      LEU  48  -5.136  -6.775   0.265
  372   3HD1  LEU  48          HD12      LEU  48  -5.490  -6.158   1.876
  373   1HD2  LEU  48          HD21      LEU  48  -7.832  -9.331   0.284
  374   2HD2  LEU  48          HD23      LEU  48  -7.002  -8.305  -0.882
  375   3HD2  LEU  48          HD22      LEU  48  -6.073  -9.319   0.217
  376    H    ALA  49           HN       ALA  49  -8.236  -8.492   5.018
  377    HA   ALA  49           HA       ALA  49 -10.338 -10.543   5.431
  378   1HB   ALA  49           HB3      ALA  49  -7.381 -11.064   5.832
  379   2HB   ALA  49           HB2      ALA  49  -8.669 -12.145   6.350
  380   3HB   ALA  49           HB1      ALA  49  -8.419 -11.832   4.635
  381    H    LYS  50           HN       LYS  50 -11.295  -9.195   6.952
  382    HA   LYS  50           HA       LYS  50  -9.788  -8.951   9.518
  383   1HB   LYS  50           HB2      LYS  50 -11.242  -6.778   8.020
  384   2HB   LYS  50           HB1      LYS  50 -11.029  -6.689   9.765
  385   1HG   LYS  50           HG2      LYS  50  -8.618  -7.356   8.131
  386   2HG   LYS  50           HG1      LYS  50  -9.203  -5.698   8.058
  387   1HD   LYS  50           HD2      LYS  50  -8.991  -5.420  10.430
  388   2HD   LYS  50           HD1      LYS  50  -8.756  -7.146  10.680
  389   1HE   LYS  50           HE2      LYS  50  -6.637  -7.017   9.367
  390   2HE   LYS  50           HE1      LYS  50  -6.861  -5.279   9.217
  391   1HZ   LYS  50           HZ1      LYS  50  -7.095  -5.584  11.846
  392   2HZ   LYS  50           HZ3      LYS  50  -6.015  -6.849  11.500
  393   3HZ   LYS  50           HZ2      LYS  50  -5.623  -5.254  11.066
  394    H    ALA  51           HN       ALA  51 -12.268 -10.352   8.074
  395    HA   ALA  51           HA       ALA  51 -13.858 -10.423  10.575
  396   1HB   ALA  51           HB3      ALA  51 -14.717  -9.178   8.061
  397   2HB   ALA  51           HB2      ALA  51 -15.849 -10.386   8.664
  398   3HB   ALA  51           HB1      ALA  51 -15.396  -9.020   9.679
   
 Raw file had 398 H/Q atoms
  Start of MODEL   48
    1    OH   TYR   1           OH       TYR   1  26.822   9.616 -11.255
    2   1H    TYR   1           HT2      TYR   1  27.287   3.810  -8.159
    3   2H    TYR   1           HT1      TYR   1  25.865   4.528  -8.748
    4   3H    TYR   1           HT3      TYR   1  27.294   5.439  -8.634
    5    HA   TYR   1           HA       TYR   1  27.255   5.330  -6.255
    6   1HB   TYR   1           HB2      TYR   1  24.414   6.001  -6.924
    7   2HB   TYR   1           HB1      TYR   1  25.560   6.879  -5.913
    8    HD1  TYR   1           HD2      TYR   1  24.838   5.967  -9.456
    9    HD2  TYR   1           HD1      TYR   1  26.870   8.631  -6.836
   10    HE1  TYR   1           HE2      TYR   1  25.432   7.388 -11.362
   11    HE2  TYR   1           HE1      TYR   1  27.464  10.052  -8.743
   12    HH   TYR   1           HH       TYR   1  26.679  10.530 -10.999
   13    H    ALA   2           HN       ALA   2  25.059   5.139  -4.636
   14    HA   ALA   2           HA       ALA   2  24.016   2.377  -4.938
   15   1HB   ALA   2           HB2      ALA   2  25.941   3.309  -2.862
   16   2HB   ALA   2           HB1      ALA   2  24.653   2.227  -2.340
   17   3HB   ALA   2           HB3      ALA   2  25.773   1.720  -3.601
   18    H    SER   3           HN       SER   3  22.091   3.748  -5.310
   19    HA   SER   3           HA       SER   3  21.023   5.126  -2.924
   20   1HB   SER   3           HB2      SER   3  19.878   4.778  -5.718
   21   2HB   SER   3           HB1      SER   3  19.160   5.775  -4.438
   22    HG   SER   3           HG1      SER   3  21.889   6.037  -5.013
   23    H    LEU   4           HN       LEU   4  21.127   2.015  -4.018
   24    HA   LEU   4           HA       LEU   4  18.406   1.173  -3.485
   25   1HB   LEU   4           HB2      LEU   4  20.682   0.004  -4.590
   26   2HB   LEU   4           HB1      LEU   4  20.418  -0.898  -3.102
   27    HG   LEU   4           HG       LEU   4  18.340  -0.386  -5.258
   28   1HD1  LEU   4          HD11      LEU   4  20.191  -2.083  -5.725
   29   2HD1  LEU   4          HD13      LEU   4  19.572  -3.007  -4.360
   30   3HD1  LEU   4          HD12      LEU   4  18.553  -2.728  -5.769
   31   1HD2  LEU   4          HD23      LEU   4  18.201  -1.324  -2.455
   32   2HD2  LEU   4          HD22      LEU   4  16.931  -0.654  -3.476
   33   3HD2  LEU   4          HD21      LEU   4  17.366  -2.355  -3.613
   34    H    GLU   5           HN       GLU   5  21.411   1.179  -1.619
   35    HA   GLU   5           HA       GLU   5  20.051   0.056   0.736
   36   1HB   GLU   5           HB2      GLU   5  22.456   0.828   1.690
   37   2HB   GLU   5           HB1      GLU   5  22.212  -0.690   0.832
   38   1HG   GLU   5           HG2      GLU   5  22.833   1.846  -0.685
   39   2HG   GLU   5           HG1      GLU   5  24.128   0.880   0.019
   40    H    GLU   6           HN       GLU   6  20.783   3.146  -0.576
   41    HA   GLU   6           HA       GLU   6  20.791   4.660   1.874
   42   1HB   GLU   6           HB2      GLU   6  21.545   5.403  -0.478
   43   2HB   GLU   6           HB1      GLU   6  19.840   5.719  -0.783
   44   1HG   GLU   6           HG2      GLU   6  20.442   7.785   0.074
   45   2HG   GLU   6           HG1      GLU   6  20.045   6.969   1.584
   46    H    GLN   7           HN       GLN   7  18.269   3.481  -0.243
   47    HA   GLN   7           HA       GLN   7  16.108   5.065   0.702
   48   1HB   GLN   7           HB2      GLN   7  16.278   3.247  -1.221
   49   2HB   GLN   7           HB1      GLN   7  15.661   2.180   0.033
   50   1HG   GLN   7           HG2      GLN   7  14.382   4.787  -0.864
   51   2HG   GLN   7           HG1      GLN   7  13.795   3.169  -1.241
   52   1HE2  GLN   7          HE22      GLN   7  12.309   2.669   1.932
   53   2HE2  GLN   7          HE21      GLN   7  12.745   1.960   0.454
   54    H    ASN   8           HN       ASN   8  16.237   5.325   2.938
   55    HA   ASN   8           HA       ASN   8  16.398   3.062   4.749
   56   1HB   ASN   8           HB2      ASN   8  15.457   5.014   6.340
   57   2HB   ASN   8           HB1      ASN   8  17.145   4.943   5.842
   58   1HD2  ASN   8          HD22      ASN   8  14.687   7.826   4.296
   59   2HD2  ASN   8          HD21      ASN   8  14.033   6.528   5.173
   60    H    ASN   9           HN       ASN   9  14.708   2.451   6.263
   61    HA   ASN   9           HA       ASN   9  12.540   1.641   6.673
   62   1HB   ASN   9           HB2      ASN   9  12.234   4.477   5.885
   63   2HB   ASN   9           HB1      ASN   9  10.773   3.504   5.754
   64   1HD2  ASN   9          HD22      ASN   9  11.964   4.709   9.367
   65   2HD2  ASN   9          HD21      ASN   9  12.553   5.356   7.912
   66    H    ASP  10           HN       ASP  10  10.515   0.927   5.625
   67    HA   ASP  10           HA       ASP  10  10.297   1.025   2.727
   68   1HB   ASP  10           HB2      ASP  10  11.536  -1.352   4.075
   69   2HB   ASP  10           HB1      ASP  10  10.527  -1.601   2.654
   70    H    ALA  11           HN       ALA  11   8.322   1.808   4.063
   71    HA   ALA  11           HA       ALA  11   6.594  -0.352   5.056
   72   1HB   ALA  11           HB2      ALA  11   6.311   2.636   4.810
   73   2HB   ALA  11           HB1      ALA  11   4.932   1.624   5.228
   74   3HB   ALA  11           HB3      ALA  11   6.350   1.655   6.272
   75    H    LEU  12           HN       LEU  12   5.706   2.276   2.856
   76    HA   LEU  12           HA       LEU  12   3.645   0.985   1.511
   77   1HB   LEU  12           HB2      LEU  12   5.626   2.709   0.019
   78   2HB   LEU  12           HB1      LEU  12   3.890   2.580  -0.234
   79    HG   LEU  12           HG       LEU  12   5.320   3.868   2.109
   80   1HD1  LEU  12          HD11      LEU  12   4.642   4.967  -0.255
   81   2HD1  LEU  12          HD13      LEU  12   3.095   5.130   0.571
   82   3HD1  LEU  12          HD12      LEU  12   4.541   5.867   1.254
   83   1HD2  LEU  12          HD22      LEU  12   2.440   3.001   1.778
   84   2HD2  LEU  12          HD21      LEU  12   3.519   2.689   3.133
   85   3HD2  LEU  12          HD23      LEU  12   2.889   4.311   2.865
   86    H    SER  13           HN       SER  13   3.468  -0.517  -0.100
   87    HA   SER  13           HA       SER  13   5.972  -1.917  -0.830
   88   1HB   SER  13           HB2      SER  13   3.097  -2.765  -0.668
   89   2HB   SER  13           HB1      SER  13   4.259  -3.713  -1.618
   90    HG   SER  13           HG1      SER  13   4.961  -2.784   0.937
   91    HA   PRO  14           HA       PRO  14   5.619  -0.247  -4.974
   92   1HB   PRO  14           HB2      PRO  14   6.877  -2.449  -6.264
   93   2HB   PRO  14           HB1      PRO  14   7.619  -0.917  -5.799
   94   1HG   PRO  14           HG2      PRO  14   7.933  -3.548  -4.543
   95   2HG   PRO  14           HG1      PRO  14   8.840  -2.068  -4.229
   96   1HD   PRO  14           HD1      PRO  14   6.867  -3.246  -2.538
   97   2HD   PRO  14           HD2      PRO  14   7.632  -1.655  -2.342
   98    H    ALA  15           HN       ALA  15   4.940  -3.664  -4.399
   99    HA   ALA  15           HA       ALA  15   3.395  -4.146  -6.752
  100   1HB   ALA  15           HB2      ALA  15   3.770  -5.468  -4.123
  101   2HB   ALA  15           HB1      ALA  15   2.297  -5.878  -4.995
  102   3HB   ALA  15           HB3      ALA  15   3.866  -6.145  -5.746
  103    H    ILE  16           HN       ILE  16   2.745  -2.105  -4.185
  104    HA   ILE  16           HA       ILE  16   0.054  -2.373  -3.554
  105    HB   ILE  16           HB       ILE  16   1.481  -0.561  -2.673
  106   1HG1  ILE  16          HG12      ILE  16  -0.948   0.547  -4.128
  107   2HG1  ILE  16          HG11      ILE  16  -1.036  -0.382  -2.637
  108   1HG2  ILE  16          HG21      ILE  16   2.489  -0.108  -4.994
  109   2HG2  ILE  16          HG23      ILE  16   1.045   0.847  -5.315
  110   3HG2  ILE  16          HG22      ILE  16   2.132   1.305  -4.007
  111   1HD1  ILE  16           HD1      ILE  16   0.599   1.350  -1.652
  112   2HD1  ILE  16           HD3      ILE  16   0.239   2.330  -3.070
  113   3HD1  ILE  16           HD2      ILE  16  -1.046   1.904  -1.945
  114    NH1  ARG  17           NH1      ARG  17   2.085   3.440  -8.379
  115    NH2  ARG  17           NH2      ARG  17   3.809   2.722  -7.064
  116    H    ARG  17           HN       ARG  17   1.421  -1.731  -6.631
  117    HA   ARG  17           HA       ARG  17  -1.040  -0.626  -7.788
  118   1HB   ARG  17           HB2      ARG  17   1.687  -1.325  -8.807
  119   2HB   ARG  17           HB1      ARG  17   0.370  -1.163  -9.963
  120   1HG   ARG  17           HG2      ARG  17  -0.073   1.098  -9.274
  121   2HG   ARG  17           HG1      ARG  17   0.976   0.942  -7.869
  122   1HD   ARG  17           HD2      ARG  17   2.356   0.301 -10.378
  123   2HD   ARG  17           HD1      ARG  17   1.741   1.952 -10.348
  124    HE   ARG  17           HE       ARG  17   3.959   0.969  -8.792
  125   1HH1  ARG  17          HH11      ARG  17   1.489   3.290  -9.167
  126   2HH1  ARG  17          HH12      ARG  17   1.974   4.260  -7.818
  127   1HH2  ARG  17          HH21      ARG  17   4.506   2.032  -6.866
  128   2HH2  ARG  17          HH22      ARG  17   3.727   3.530  -6.481
  129    NH1  ARG  18           NH2      ARG  18  -0.049  -8.888 -11.540
  130    NH2  ARG  18           NH1      ARG  18   2.162  -9.405 -11.288
  131    H    ARG  18           HN       ARG  18   0.877  -3.561  -8.439
  132    HA   ARG  18           HA       ARG  18  -1.298  -4.837  -9.867
  133   1HB   ARG  18           HB2      ARG  18   1.372  -5.757  -8.825
  134   2HB   ARG  18           HB1      ARG  18   0.226  -6.911  -9.498
  135   1HG   ARG  18           HG2      ARG  18   0.116  -5.573 -11.585
  136   2HG   ARG  18           HG1      ARG  18   1.280  -4.439 -10.913
  137   1HD   ARG  18           HD2      ARG  18   2.809  -5.793 -11.957
  138   2HD   ARG  18           HD1      ARG  18   2.601  -6.800 -10.527
  139    HE   ARG  18           HE       ARG  18   1.426  -7.325 -13.193
  140   1HH1  ARG  18          HH21      ARG  18  -0.747  -8.245 -11.852
  141   2HH1  ARG  18          HH22      ARG  18  -0.320  -9.755 -11.120
  142   1HH2  ARG  18          HH11      ARG  18   3.121  -9.151 -11.412
  143   2HH2  ARG  18          HH12      ARG  18   1.929 -10.282 -10.865
  144    H    LEU  19           HN       LEU  19  -1.395  -3.994  -6.851
  145    HA   LEU  19           HA       LEU  19  -2.002  -6.525  -5.518
  146   1HB   LEU  19           HB2      LEU  19  -1.126  -4.387  -4.404
  147   2HB   LEU  19           HB1      LEU  19  -2.768  -3.769  -4.552
  148    HG   LEU  19           HG       LEU  19  -3.320  -6.187  -3.489
  149   1HD1  LEU  19          HD12      LEU  19  -0.874  -6.751  -3.406
  150   2HD1  LEU  19          HD11      LEU  19  -0.640  -5.406  -2.294
  151   3HD1  LEU  19          HD13      LEU  19  -1.638  -6.777  -1.819
  152   1HD2  LEU  19          HD22      LEU  19  -2.584  -3.563  -2.196
  153   2HD2  LEU  19          HD21      LEU  19  -4.181  -4.271  -2.417
  154   3HD2  LEU  19          HD23      LEU  19  -3.087  -4.929  -1.205
  155    H    LEU  20           HN       LEU  20  -3.860  -3.806  -6.820
  156    HA   LEU  20           HA       LEU  20  -6.432  -4.899  -6.073
  157   1HB   LEU  20           HB2      LEU  20  -5.728  -2.878  -8.219
  158   2HB   LEU  20           HB1      LEU  20  -7.346  -3.184  -7.602
  159    HG   LEU  20           HG       LEU  20  -4.994  -2.263  -5.908
  160   1HD1  LEU  20          HD11      LEU  20  -5.944  -0.609  -7.625
  161   2HD1  LEU  20          HD13      LEU  20  -7.443  -0.671  -6.703
  162   3HD1  LEU  20          HD12      LEU  20  -5.968  -0.078  -5.946
  163   1HD2  LEU  20          HD21      LEU  20  -7.841  -3.022  -5.341
  164   2HD2  LEU  20          HD23      LEU  20  -6.399  -3.288  -4.365
  165   3HD2  LEU  20          HD22      LEU  20  -7.141  -1.693  -4.424
  166    H    ALA  21           HN       ALA  21  -4.261  -5.394  -8.722
  167    HA   ALA  21           HA       ALA  21  -6.283  -6.611 -10.458
  168   1HB   ALA  21           HB1      ALA  21  -3.380  -6.021 -10.607
  169   2HB   ALA  21           HB3      ALA  21  -3.934  -7.406 -11.542
  170   3HB   ALA  21           HB2      ALA  21  -4.632  -5.815 -11.829
  171    H    GLU  22           HN       GLU  22  -4.474  -7.595  -7.789
  172    HA   GLU  22           HA       GLU  22  -4.480 -10.454  -8.596
  173   1HB   GLU  22           HB2      GLU  22  -2.530  -9.200  -7.380
  174   2HB   GLU  22           HB1      GLU  22  -3.511  -9.443  -5.939
  175   1HG   GLU  22           HG2      GLU  22  -3.659 -11.933  -6.938
  176   2HG   GLU  22           HG1      GLU  22  -2.118 -11.461  -7.648
  177    H    HIS  23           HN       HIS  23  -6.579  -8.325  -7.242
  178    HA   HIS  23           HA       HIS  23  -7.999 -10.514  -5.787
  179   1HB   HIS  23           HB2      HIS  23  -7.858  -7.652  -4.811
  180   2HB   HIS  23           HB1      HIS  23  -8.586  -9.024  -3.980
  181    HD1  HIS  23           HD1      HIS  23  -6.516 -11.023  -3.957
  182    HD2  HIS  23           HD2      HIS  23  -5.470  -7.116  -3.621
  183    HE1  HIS  23           HE1      HIS  23  -4.317 -11.052  -2.928
  184    H    ASN  24           HN       ASN  24  -8.139  -7.500  -7.562
  185    HA   ASN  24           HA       ASN  24  -9.846  -6.668  -8.958
  186   1HB   ASN  24           HB2      ASN  24 -10.168  -9.312  -9.203
  187   2HB   ASN  24           HB1      ASN  24 -11.664  -8.951  -8.346
  188   1HD2  ASN  24          HD22      ASN  24 -12.761  -6.677 -11.029
  189   2HD2  ASN  24          HD21      ASN  24 -12.594  -6.636  -9.341
  190    H    LEU  25           HN       LEU  25  -9.691  -5.849  -6.294
  191    HA   LEU  25           HA       LEU  25 -12.474  -5.843  -5.285
  192   1HB   LEU  25           HB2      LEU  25  -9.850  -4.851  -4.168
  193   2HB   LEU  25           HB1      LEU  25 -11.388  -4.470  -3.403
  194    HG   LEU  25           HG       LEU  25 -10.748  -7.330  -4.106
  195   1HD1  LEU  25          HD13      LEU  25  -9.763  -5.783  -1.687
  196   2HD1  LEU  25          HD12      LEU  25  -9.790  -7.541  -1.777
  197   3HD1  LEU  25          HD11      LEU  25  -8.776  -6.618  -2.882
  198   1HD2  LEU  25          HD23      LEU  25 -12.963  -6.137  -3.028
  199   2HD2  LEU  25          HD22      LEU  25 -12.508  -7.806  -2.711
  200   3HD2  LEU  25          HD21      LEU  25 -12.069  -6.543  -1.566
  201    H    ASP  26           HN       ASP  26 -13.796  -4.087  -5.342
  202    HA   ASP  26           HA       ASP  26 -12.982  -1.873  -7.098
  203   1HB   ASP  26           HB2      ASP  26 -15.338  -1.151  -6.863
  204   2HB   ASP  26           HB1      ASP  26 -15.231  -2.847  -7.326
  205    H    ALA  27           HN       ALA  27 -11.711  -0.381  -6.139
  206    HA   ALA  27           HA       ALA  27 -11.824   0.271  -3.336
  207   1HB   ALA  27           HB3      ALA  27 -10.374   1.224  -5.718
  208   2HB   ALA  27           HB2      ALA  27 -10.639   2.455  -4.487
  209   3HB   ALA  27           HB1      ALA  27  -9.791   0.969  -4.076
  210    H    SER  28           HN       SER  28 -14.130   0.758  -5.521
  211    HA   SER  28           HA       SER  28 -14.782   3.559  -5.071
  212   1HB   SER  28           HB2      SER  28 -16.756   1.461  -5.984
  213   2HB   SER  28           HB1      SER  28 -16.658   3.170  -6.453
  214    HG   SER  28           HG1      SER  28 -15.170   2.682  -7.853
  215    H    ALA  29           HN       ALA  29 -15.289   0.624  -3.372
  216    HA   ALA  29           HA       ALA  29 -17.490   1.796  -1.755
  217   1HB   ALA  29           HB3      ALA  29 -17.479  -0.625  -2.658
  218   2HB   ALA  29           HB2      ALA  29 -16.305  -0.949  -1.387
  219   3HB   ALA  29           HB1      ALA  29 -17.922  -0.389  -0.970
  220    H    ILE  30           HN       ILE  30 -14.149   1.593  -1.737
  221    HA   ILE  30           HA       ILE  30 -13.937   1.530   1.219
  222    HB   ILE  30           HB       ILE  30 -11.728   1.828  -0.836
  223   1HG1  ILE  30          HG12      ILE  30 -12.888  -0.249  -1.306
  224   2HG1  ILE  30          HG11      ILE  30 -11.398  -0.652  -0.467
  225   1HG2  ILE  30          HG22      ILE  30 -11.815   1.788   2.080
  226   2HG2  ILE  30          HG21      ILE  30 -10.805   0.490   1.458
  227   3HG2  ILE  30          HG23      ILE  30 -10.468   2.157   1.012
  228   1HD1  ILE  30           HD3      ILE  30 -12.893  -0.514   1.699
  229   2HD1  ILE  30           HD2      ILE  30 -14.229  -0.706   0.570
  230   3HD1  ILE  30           HD1      ILE  30 -12.989  -1.948   0.685
  231    H    LYS  31           HN       LYS  31 -12.991   3.248   2.403
  232    HA   LYS  31           HA       LYS  31 -13.622   5.892   1.289
  233   1HB   LYS  31           HB2      LYS  31 -13.265   6.719   3.519
  234   2HB   LYS  31           HB1      LYS  31 -14.138   5.198   3.668
  235   1HG   LYS  31           HG2      LYS  31 -11.806   4.095   3.872
  236   2HG   LYS  31           HG1      LYS  31 -11.200   5.724   4.149
  237   1HD   LYS  31           HD2      LYS  31 -11.711   5.299   6.333
  238   2HD   LYS  31           HD1      LYS  31 -13.358   5.669   5.838
  239   1HE   LYS  31           HE2      LYS  31 -13.404   3.534   6.977
  240   2HE   LYS  31           HE1      LYS  31 -13.650   3.226   5.263
  241   1HZ   LYS  31           HZ1      LYS  31 -10.965   3.128   6.486
  242   2HZ   LYS  31           HZ3      LYS  31 -11.993   1.778   6.481
  243   3HZ   LYS  31           HZ2      LYS  31 -11.481   2.461   5.013
  244    H    GLY  32           HN       GLY  32 -11.819   7.579   2.328
  245   1HA   GLY  32           HA2      GLY  32  -9.095   6.677   1.667
  246   2HA   GLY  32           HA1      GLY  32  -9.773   7.876   0.570
  247    H    THR  33           HN       THR  33  -7.677   7.700   2.939
  248    HA   THR  33           HA       THR  33  -8.327  10.432   3.931
  249    HB   THR  33           HB       THR  33  -7.345   9.456   6.232
  250    HG1  THR  33           HG1      THR  33  -7.651   7.300   6.328
  251   1HG2  THR  33          HG23      THR  33 -10.136   9.186   5.099
  252   2HG2  THR  33          HG22      THR  33  -9.771   8.566   6.706
  253   3HG2  THR  33          HG21      THR  33  -9.575  10.281   6.359
  254    H    GLY  34           HN       GLY  34  -6.666  11.079   2.451
  255   1HA   GLY  34           HA2      GLY  34  -3.950  10.715   3.609
  256   2HA   GLY  34           HA1      GLY  34  -4.176  10.385   1.894
  257    H    VAL  35           HN       VAL  35  -2.395  12.224   2.242
  258    HA   VAL  35           HA       VAL  35  -3.150  14.896   2.754
  259    HB   VAL  35           HB       VAL  35  -1.147  13.923   0.701
  260   1HG1  VAL  35          HG11      VAL  35  -1.538  16.561   2.151
  261   2HG1  VAL  35          HG13      VAL  35  -0.073  16.147   1.266
  262   3HG1  VAL  35          HG12      VAL  35  -1.607  16.285   0.412
  263   1HG2  VAL  35          HG23      VAL  35  -1.211  13.536   3.497
  264   2HG2  VAL  35          HG22      VAL  35   0.175  13.313   2.433
  265   3HG2  VAL  35          HG21      VAL  35  -0.082  14.862   3.233
  266    H    GLY  36           HN       GLY  36  -4.777  15.980   1.842
  267   1HA   GLY  36           HA2      GLY  36  -5.757  17.151  -0.022
  268   2HA   GLY  36           HA1      GLY  36  -4.977  16.010  -1.114
  269    H    GLY  37           HN       GLY  37  -5.972  13.834   0.812
  270   1HA   GLY  37           HA2      GLY  37  -8.099  12.776   1.286
  271   2HA   GLY  37           HA1      GLY  37  -8.871  13.890   0.163
  272    NH1  ARG  38           NH1      ARG  38  -0.219  11.236  -2.787
  273    NH2  ARG  38           NH2      ARG  38  -0.473  13.302  -1.844
  274    H    ARG  38           HN       ARG  38  -6.009  11.849  -0.279
  275    HA   ARG  38           HA       ARG  38  -7.260  10.757  -2.740
  276   1HB   ARG  38           HB2      ARG  38  -4.925   9.838  -3.119
  277   2HB   ARG  38           HB1      ARG  38  -5.041  11.594  -3.085
  278   1HG   ARG  38           HG2      ARG  38  -4.224  11.687  -0.822
  279   2HG   ARG  38           HG1      ARG  38  -4.374   9.945  -0.631
  280   1HD   ARG  38           HD2      ARG  38  -2.348   9.585  -1.586
  281   2HD   ARG  38           HD1      ARG  38  -2.728  10.642  -2.945
  282    HE   ARG  38           HE       ARG  38  -2.035  11.975  -0.397
  283   1HH1  ARG  38          HH11      ARG  38  -0.524  10.287  -2.866
  284   2HH1  ARG  38          HH12      ARG  38   0.561  11.556  -3.326
  285   1HH2  ARG  38          HH21      ARG  38  -0.971  13.900  -1.217
  286   2HH2  ARG  38          HH22      ARG  38   0.301  13.656  -2.367
  287    H    LEU  39           HN       LEU  39  -6.483   8.369  -3.147
  288    HA   LEU  39           HA       LEU  39  -7.396   6.812  -0.778
  289   1HB   LEU  39           HB2      LEU  39  -8.735   6.402  -2.732
  290   2HB   LEU  39           HB1      LEU  39  -7.310   6.191  -3.740
  291    HG   LEU  39           HG       LEU  39  -6.744   4.110  -2.641
  292   1HD1  LEU  39          HD11      LEU  39  -8.865   4.987  -0.672
  293   2HD1  LEU  39          HD13      LEU  39  -8.390   3.296  -0.804
  294   3HD1  LEU  39          HD12      LEU  39  -7.202   4.511  -0.343
  295   1HD2  LEU  39          HD22      LEU  39  -8.887   4.369  -4.229
  296   2HD2  LEU  39          HD21      LEU  39  -8.454   2.822  -3.508
  297   3HD2  LEU  39          HD23      LEU  39  -9.713   3.812  -2.776
  298    H    THR  40           HN       THR  40  -5.740   6.103   0.432
  299    HA   THR  40           HA       THR  40  -3.208   5.286  -0.913
  300    HB   THR  40           HB       THR  40  -2.129   5.614   1.214
  301    HG1  THR  40           HG1      THR  40  -4.140   6.077   2.833
  302   1HG2  THR  40          HG21      THR  40  -3.645   7.693   0.174
  303   2HG2  THR  40          HG23      THR  40  -4.253   7.576   1.823
  304   3HG2  THR  40          HG22      THR  40  -2.539   7.855   1.535
  305    NH1  ARG  41           NH2      ARG  41  -1.354  -3.535   1.805
  306    NH2  ARG  41           NH1      ARG  41  -0.227  -3.833  -0.159
  307    H    ARG  41           HN       ARG  41  -2.428   3.642   1.369
  308    HA   ARG  41           HA       ARG  41  -3.947   1.191   0.619
  309   1HB   ARG  41           HB2      ARG  41  -1.410   1.319   0.410
  310   2HB   ARG  41           HB1      ARG  41  -1.358   1.332   2.169
  311   1HG   ARG  41           HG2      ARG  41  -1.394  -0.934   2.029
  312   2HG   ARG  41           HG1      ARG  41  -3.097  -0.757   1.619
  313   1HD   ARG  41           HD2      ARG  41  -2.470  -0.581  -0.792
  314   2HD   ARG  41           HD1      ARG  41  -0.785  -0.853  -0.349
  315    HE   ARG  41           HE       ARG  41  -2.834  -2.895  -0.526
  316   1HH1  ARG  41          HH21      ARG  41  -2.113  -3.112   2.302
  317   2HH1  ARG  41          HH22      ARG  41  -0.714  -4.134   2.286
  318   1HH2  ARG  41          HH11      ARG  41  -0.139  -3.633  -1.135
  319   2HH2  ARG  41          HH12      ARG  41   0.433  -4.436   0.289
  320    H    GLU  42           HN       GLU  42  -3.275   3.306   3.271
  321    HA   GLU  42           HA       GLU  42  -3.912   1.547   5.436
  322   1HB   GLU  42           HB2      GLU  42  -4.357   4.540   5.269
  323   2HB   GLU  42           HB1      GLU  42  -4.250   3.585   6.745
  324   1HG   GLU  42           HG2      GLU  42  -1.939   3.005   6.278
  325   2HG   GLU  42           HG1      GLU  42  -2.027   3.749   4.684
  326    H    ASP  43           HN       ASP  43  -5.827   2.543   2.921
  327    HA   ASP  43           HA       ASP  43  -8.335   2.539   4.528
  328   1HB   ASP  43           HB2      ASP  43  -8.124   3.006   1.555
  329   2HB   ASP  43           HB1      ASP  43  -9.406   3.516   2.650
  330    H    VAL  44           HN       VAL  44  -6.809   0.893   1.787
  331    HA   VAL  44           HA       VAL  44  -8.973  -1.104   1.688
  332    HB   VAL  44           HB       VAL  44  -6.366  -0.909   0.152
  333   1HG1  VAL  44          HG12      VAL  44  -8.747  -2.768  -0.016
  334   2HG1  VAL  44          HG11      VAL  44  -7.702  -2.485  -1.405
  335   3HG1  VAL  44          HG13      VAL  44  -7.039  -3.192   0.066
  336   1HG2  VAL  44          HG22      VAL  44  -8.333   0.852  -0.075
  337   2HG2  VAL  44          HG21      VAL  44  -7.565   0.201  -1.519
  338   3HG2  VAL  44          HG23      VAL  44  -9.112  -0.443  -0.978
  339    H    GLU  45           HN       GLU  45  -6.144  -0.654   3.438
  340    HA   GLU  45           HA       GLU  45  -5.093  -3.298   3.612
  341   1HB   GLU  45           HB2      GLU  45  -4.784  -0.782   5.022
  342   2HB   GLU  45           HB1      GLU  45  -4.756  -2.139   6.143
  343   1HG   GLU  45           HG2      GLU  45  -2.984  -3.224   4.891
  344   2HG   GLU  45           HG1      GLU  45  -3.108  -2.036   3.596
  345    H    LYS  46           HN       LYS  46  -7.440  -1.638   5.717
  346    HA   LYS  46           HA       LYS  46  -7.970  -4.036   7.269
  347   1HB   LYS  46           HB2      LYS  46  -9.451  -1.407   7.044
  348   2HB   LYS  46           HB1      LYS  46  -9.875  -2.678   8.185
  349   1HG   LYS  46           HG2      LYS  46  -7.476  -2.573   9.029
  350   2HG   LYS  46           HG1      LYS  46  -7.269  -1.132   8.041
  351   1HD   LYS  46           HD2      LYS  46  -7.942  -0.139  10.024
  352   2HD   LYS  46           HD1      LYS  46  -9.515  -0.393   9.278
  353   1HE   LYS  46           HE2      LYS  46  -9.319  -2.768  10.463
  354   2HE   LYS  46           HE1      LYS  46  -8.216  -1.900  11.523
  355   1HZ   LYS  46           HZ3      LYS  46 -10.078  -0.186  11.666
  356   2HZ   LYS  46           HZ2      LYS  46 -11.081  -1.407  11.045
  357   3HZ   LYS  46           HZ1      LYS  46 -10.269  -1.643  12.518
  358    H    HIS  47           HN       HIS  47  -8.555  -3.589   4.176
  359    HA   HIS  47           HA       HIS  47 -11.365  -4.561   4.182
  360   1HB   HIS  47           HB2      HIS  47 -10.473  -2.699   2.623
  361   2HB   HIS  47           HB1      HIS  47  -9.703  -4.008   1.730
  362    HD1  HIS  47           HD1      HIS  47 -13.126  -3.673   3.160
  363    HD2  HIS  47           HD2      HIS  47 -11.338  -4.685  -0.338
  364    HE1  HIS  47           HE1      HIS  47 -14.953  -4.265   1.676
  365    H    LEU  48           HN       LEU  48  -8.120  -5.638   3.725
  366    HA   LEU  48           HA       LEU  48  -8.990  -8.144   2.410
  367   1HB   LEU  48           HB2      LEU  48  -6.303  -6.954   3.086
  368   2HB   LEU  48           HB1      LEU  48  -6.460  -8.627   2.561
  369    HG   LEU  48           HG       LEU  48  -7.863  -6.535   0.946
  370   1HD1  LEU  48          HD13      LEU  48  -4.866  -6.971   1.040
  371   2HD1  LEU  48          HD12      LEU  48  -5.675  -6.300  -0.373
  372   3HD1  LEU  48          HD11      LEU  48  -5.738  -5.446   1.166
  373   1HD2  LEU  48          HD22      LEU  48  -7.863  -9.090   0.578
  374   2HD2  LEU  48          HD21      LEU  48  -7.481  -8.090  -0.821
  375   3HD2  LEU  48          HD23      LEU  48  -6.190  -8.897   0.063
  376    H    ALA  49           HN       ALA  49 -10.091  -7.891   4.917
  377    HA   ALA  49           HA       ALA  49  -8.801 -10.164   6.305
  378   1HB   ALA  49           HB1      ALA  49  -7.926  -7.956   7.261
  379   2HB   ALA  49           HB3      ALA  49  -9.559  -7.690   7.863
  380   3HB   ALA  49           HB2      ALA  49  -8.629  -9.079   8.420
  381    H    LYS  50           HN       LYS  50 -10.762 -11.147   5.403
  382    HA   LYS  50           HA       LYS  50 -13.388 -10.298   6.211
  383   1HB   LYS  50           HB2      LYS  50 -12.974 -11.806   4.288
  384   2HB   LYS  50           HB1      LYS  50 -12.446 -13.062   5.403
  385   1HG   LYS  50           HG2      LYS  50 -14.586 -13.659   5.811
  386   2HG   LYS  50           HG1      LYS  50 -14.993 -12.009   6.270
  387   1HD   LYS  50           HD2      LYS  50 -15.384 -11.402   3.945
  388   2HD   LYS  50           HD1      LYS  50 -14.809 -12.972   3.397
  389   1HE   LYS  50           HE2      LYS  50 -17.416 -12.490   3.721
  390   2HE   LYS  50           HE1      LYS  50 -16.730 -14.069   4.081
  391   1HZ   LYS  50           HZ2      LYS  50 -16.422 -13.218   6.410
  392   2HZ   LYS  50           HZ1      LYS  50 -17.407 -11.905   5.978
  393   3HZ   LYS  50           HZ3      LYS  50 -18.027 -13.485   5.923
  394    H    ALA  51           HN       ALA  51 -11.000 -12.453   7.616
  395    HA   ALA  51           HA       ALA  51 -12.585 -13.736   9.568
  396   1HB   ALA  51           HB3      ALA  51  -9.694 -12.884   9.538
  397   2HB   ALA  51           HB2      ALA  51 -10.386 -13.719  10.925
  398   3HB   ALA  51           HB1      ALA  51 -10.359 -14.503   9.348
   
 Raw file had 398 H/Q atoms
  Start of MODEL   49
    1    OH   TYR   1           OH       TYR   1  34.667  -6.983   9.240
    2   1H    TYR   1           HT3      TYR   1  31.487  -2.009   4.803
    3   2H    TYR   1           HT2      TYR   1  31.703  -1.667   6.453
    4   3H    TYR   1           HT1      TYR   1  32.538  -2.962   5.738
    5    HA   TYR   1           HA       TYR   1  30.676  -4.288   5.597
    6   1HB   TYR   1           HB2      TYR   1  30.521  -2.606   8.104
    7   2HB   TYR   1           HB1      TYR   1  29.489  -4.011   7.847
    8    HD1  TYR   1           HD2      TYR   1  30.813  -6.180   7.004
    9    HD2  TYR   1           HD1      TYR   1  32.579  -2.968   9.164
   10    HE1  TYR   1           HE2      TYR   1  32.636  -7.658   7.713
   11    HE2  TYR   1           HE1      TYR   1  34.401  -4.446   9.873
   12    HH   TYR   1           HH       TYR   1  35.421  -6.820   8.669
   13    H    ALA   2           HN       ALA   2  28.522  -2.544   7.430
   14    HA   ALA   2           HA       ALA   2  26.465  -2.537   5.498
   15   1HB   ALA   2           HB2      ALA   2  26.238  -2.234   8.018
   16   2HB   ALA   2           HB1      ALA   2  26.668  -0.546   7.764
   17   3HB   ALA   2           HB3      ALA   2  25.205  -1.202   7.035
   18    H    SER   3           HN       SER   3  26.640  -1.539   3.578
   19    HA   SER   3           HA       SER   3  26.919   1.383   3.533
   20   1HB   SER   3           HB2      SER   3  28.755   0.807   1.571
   21   2HB   SER   3           HB1      SER   3  29.197   1.233   3.235
   22    HG   SER   3           HG1      SER   3  29.482  -0.834   3.716
   23    H    LEU   4           HN       LEU   4  25.567  -1.385   2.455
   24    HA   LEU   4           HA       LEU   4  24.413  -0.005   0.108
   25   1HB   LEU   4           HB2      LEU   4  24.770  -2.554  -0.912
   26   2HB   LEU   4           HB1      LEU   4  25.728  -1.145  -1.340
   27    HG   LEU   4           HG       LEU   4  27.342  -1.689   0.467
   28   1HD1  LEU   4          HD11      LEU   4  25.191  -3.578   1.165
   29   2HD1  LEU   4          HD13      LEU   4  26.789  -4.313   1.152
   30   3HD1  LEU   4          HD12      LEU   4  26.469  -2.921   2.180
   31   1HD2  LEU   4          HD22      LEU   4  27.623  -2.636  -1.828
   32   2HD2  LEU   4          HD21      LEU   4  28.296  -3.683  -0.584
   33   3HD2  LEU   4          HD23      LEU   4  26.743  -4.072  -1.315
   34    H    GLU   5           HN       GLU   5  23.823  -1.406   2.870
   35    HA   GLU   5           HA       GLU   5  21.144  -2.284   2.059
   36   1HB   GLU   5           HB2      GLU   5  22.474  -4.334   1.729
   37   2HB   GLU   5           HB1      GLU   5  23.055  -4.225   3.386
   38   1HG   GLU   5           HG2      GLU   5  21.160  -5.177   4.180
   39   2HG   GLU   5           HG1      GLU   5  20.154  -4.030   3.300
   40    H    GLU   6           HN       GLU   6  20.487  -0.568   3.406
   41    HA   GLU   6           HA       GLU   6  20.445  -1.290   6.275
   42   1HB   GLU   6           HB2      GLU   6  22.377   0.417   5.528
   43   2HB   GLU   6           HB1      GLU   6  21.055   1.567   5.693
   44   1HG   GLU   6           HG2      GLU   6  20.601   0.521   7.983
   45   2HG   GLU   6           HG1      GLU   6  22.140  -0.319   7.804
   46    H    GLN   7           HN       GLN   7  19.643   1.536   4.263
   47    HA   GLN   7           HA       GLN   7  16.860   1.413   5.355
   48   1HB   GLN   7           HB2      GLN   7  18.730   3.569   4.981
   49   2HB   GLN   7           HB1      GLN   7  17.286   3.869   4.020
   50   1HG   GLN   7           HG2      GLN   7  15.860   3.570   5.976
   51   2HG   GLN   7           HG1      GLN   7  17.244   3.089   6.956
   52   1HE2  GLN   7          HE22      GLN   7  16.395   6.991   6.538
   53   2HE2  GLN   7          HE21      GLN   7  15.350   5.758   6.019
   54    H    ASN   8           HN       ASN   8  15.105   1.641   3.932
   55    HA   ASN   8           HA       ASN   8  15.665   1.704   1.028
   56   1HB   ASN   8           HB2      ASN   8  14.007  -0.550   2.157
   57   2HB   ASN   8           HB1      ASN   8  14.671  -0.394   0.533
   58   1HD2  ASN   8          HD22      ASN   8  17.150  -1.542   3.606
   59   2HD2  ASN   8          HD21      ASN   8  15.707  -0.720   3.960
   60    H    ASN   9           HN       ASN   9  12.979   0.608   0.494
   61    HA   ASN   9           HA       ASN   9  11.498   3.113   0.836
   62   1HB   ASN   9           HB2      ASN   9   9.774   1.996  -0.533
   63   2HB   ASN   9           HB1      ASN   9  11.364   1.839  -1.276
   64   1HD2  ASN   9          HD22      ASN   9   9.625  -1.481   0.419
   65   2HD2  ASN   9          HD21      ASN   9   9.136   0.064   0.924
   66    H    ASP  10           HN       ASP  10   9.689   3.431   2.095
   67    HA   ASP  10           HA       ASP  10   8.559   1.187   3.637
   68   1HB   ASP  10           HB2      ASP  10  10.555   1.984   4.949
   69   2HB   ASP  10           HB1      ASP  10   9.773   3.556   5.084
   70    H    ALA  11           HN       ALA  11   7.312   2.683   1.713
   71    HA   ALA  11           HA       ALA  11   5.244   4.064   3.327
   72   1HB   ALA  11           HB2      ALA  11   6.955   5.338   1.222
   73   2HB   ALA  11           HB1      ALA  11   5.277   5.850   1.380
   74   3HB   ALA  11           HB3      ALA  11   6.379   6.009   2.745
   75    H    LEU  12           HN       LEU  12   5.487   4.526  -0.090
   76    HA   LEU  12           HA       LEU  12   3.024   2.947  -0.475
   77   1HB   LEU  12           HB2      LEU  12   4.651   4.640  -2.396
   78   2HB   LEU  12           HB1      LEU  12   3.113   3.880  -2.785
   79    HG   LEU  12           HG       LEU  12   3.164   5.521  -0.304
   80   1HD1  LEU  12          HD13      LEU  12   3.345   6.705  -3.097
   81   2HD1  LEU  12          HD12      LEU  12   2.848   7.613  -1.672
   82   3HD1  LEU  12          HD11      LEU  12   4.480   6.959  -1.775
   83   1HD2  LEU  12          HD23      LEU  12   1.135   4.368  -1.217
   84   2HD2  LEU  12          HD22      LEU  12   0.925   6.112  -1.111
   85   3HD2  LEU  12          HD21      LEU  12   1.258   5.360  -2.666
   86    H    SER  13           HN       SER  13   2.914   1.029  -1.602
   87    HA   SER  13           HA       SER  13   5.511  -0.262  -2.143
   88   1HB   SER  13           HB2      SER  13   3.053  -1.180  -1.097
   89   2HB   SER  13           HB1      SER  13   3.270  -2.002  -2.656
   90    HG   SER  13           HG1      SER  13   4.628  -3.165  -1.510
   91    HA   PRO  14           HA       PRO  14   5.195   0.059  -6.552
   92   1HB   PRO  14           HB2      PRO  14   5.973  -2.579  -7.234
   93   2HB   PRO  14           HB1      PRO  14   7.020  -1.162  -7.118
   94   1HG   PRO  14           HG2      PRO  14   6.797  -3.433  -5.261
   95   2HG   PRO  14           HG1      PRO  14   8.022  -2.164  -5.303
   96   1HD   PRO  14           HD1      PRO  14   5.910  -2.416  -3.402
   97   2HD   PRO  14           HD2      PRO  14   7.004  -1.033  -3.609
   98    H    ALA  15           HN       ALA  15   4.065  -3.060  -5.281
   99    HA   ALA  15           HA       ALA  15   2.221  -3.551  -7.452
  100   1HB   ALA  15           HB3      ALA  15   3.187  -4.968  -5.204
  101   2HB   ALA  15           HB2      ALA  15   1.435  -4.903  -5.038
  102   3HB   ALA  15           HB1      ALA  15   2.156  -5.580  -6.494
  103    H    ILE  16           HN       ILE  16   2.115  -1.379  -4.900
  104    HA   ILE  16           HA       ILE  16  -0.479  -1.388  -3.912
  105    HB   ILE  16           HB       ILE  16   1.330   0.321  -3.422
  106   1HG1  ILE  16          HG12      ILE  16  -1.447   1.361  -4.085
  107   2HG1  ILE  16          HG11      ILE  16  -0.988   0.564  -2.585
  108   1HG2  ILE  16          HG23      ILE  16   1.627   0.813  -5.931
  109   2HG2  ILE  16          HG22      ILE  16   0.167   1.786  -5.797
  110   3HG2  ILE  16          HG21      ILE  16   1.593   2.206  -4.855
  111   1HD1  ILE  16           HD3      ILE  16   0.894   2.453  -2.562
  112   2HD1  ILE  16           HD2      ILE  16  -0.268   3.301  -3.577
  113   3HD1  ILE  16           HD1      ILE  16  -0.724   2.789  -1.955
  114    NH1  ARG  17           NH1      ARG  17  -3.406   0.432 -11.299
  115    NH2  ARG  17           NH2      ARG  17  -3.652   2.692 -11.527
  116    H    ARG  17           HN       ARG  17   0.520  -0.939  -7.158
  117    HA   ARG  17           HA       ARG  17  -2.029   0.272  -8.005
  118   1HB   ARG  17           HB2      ARG  17   0.488  -0.571  -9.437
  119   2HB   ARG  17           HB1      ARG  17  -0.960  -0.108 -10.324
  120   1HG   ARG  17           HG2      ARG  17  -0.191   1.740  -8.140
  121   2HG   ARG  17           HG1      ARG  17   0.940   1.670  -9.487
  122   1HD   ARG  17           HD2      ARG  17  -0.976   3.374  -9.702
  123   2HD   ARG  17           HD1      ARG  17  -0.751   2.282 -11.068
  124    HE   ARG  17           HE       ARG  17  -2.768   1.650  -8.957
  125   1HH1  ARG  17          HH11      ARG  17  -3.017  -0.340 -10.798
  126   2HH1  ARG  17          HH12      ARG  17  -3.977   0.269 -12.105
  127   1HH2  ARG  17          HH21      ARG  17  -3.447   3.613 -11.197
  128   2HH2  ARG  17          HH22      ARG  17  -4.228   2.568 -12.336
  129    NH1  ARG  18           NH2      ARG  18   2.683  -1.166 -10.854
  130    NH2  ARG  18           NH1      ARG  18   2.600  -1.634 -13.090
  131    H    ARG  18           HN       ARG  18  -0.292  -2.790  -8.410
  132    HA   ARG  18           HA       ARG  18  -2.683  -3.994  -9.674
  133   1HB   ARG  18           HB2      ARG  18   0.056  -5.164  -9.090
  134   2HB   ARG  18           HB1      ARG  18  -1.223  -5.974  -9.987
  135   1HG   ARG  18           HG2      ARG  18  -0.141  -5.035 -11.790
  136   2HG   ARG  18           HG1      ARG  18  -1.136  -3.647 -11.372
  137   1HD   ARG  18           HD2      ARG  18   0.890  -3.089  -9.741
  138   2HD   ARG  18           HD1      ARG  18   1.790  -4.098 -10.872
  139    HE   ARG  18           HE       ARG  18   0.171  -2.077 -12.210
  140   1HH1  ARG  18          HH21      ARG  18   2.268  -1.242  -9.947
  141   2HH1  ARG  18          HH22      ARG  18   3.546  -0.674 -10.969
  142   1HH2  ARG  18          HH11      ARG  18   2.123  -2.062 -13.858
  143   2HH2  ARG  18          HH12      ARG  18   3.462  -1.150 -13.244
  144    H    LEU  19           HN       LEU  19  -1.866  -3.319  -6.634
  145    HA   LEU  19           HA       LEU  19  -2.227  -5.839  -5.276
  146   1HB   LEU  19           HB2      LEU  19  -1.222  -3.701  -4.310
  147   2HB   LEU  19           HB1      LEU  19  -2.871  -3.107  -4.156
  148    HG   LEU  19           HG       LEU  19  -3.185  -5.533  -3.016
  149   1HD1  LEU  19          HD13      LEU  19  -0.747  -6.047  -3.385
  150   2HD1  LEU  19          HD12      LEU  19  -0.349  -4.710  -2.311
  151   3HD1  LEU  19          HD11      LEU  19  -1.222  -6.108  -1.690
  152   1HD2  LEU  19          HD21      LEU  19  -2.250  -2.906  -1.860
  153   2HD2  LEU  19          HD23      LEU  19  -3.863  -3.613  -1.817
  154   3HD2  LEU  19          HD22      LEU  19  -2.583  -4.280  -0.809
  155    H    LEU  20           HN       LEU  20  -4.378  -3.447  -6.582
  156    HA   LEU  20           HA       LEU  20  -6.732  -4.528  -5.196
  157   1HB   LEU  20           HB2      LEU  20  -6.401  -2.442  -7.365
  158   2HB   LEU  20           HB1      LEU  20  -7.959  -2.898  -6.687
  159    HG   LEU  20           HG       LEU  20  -5.814  -2.244  -4.729
  160   1HD1  LEU  20          HD11      LEU  20  -7.173  -0.177  -6.492
  161   2HD1  LEU  20          HD13      LEU  20  -6.327   0.209  -4.997
  162   3HD1  LEU  20          HD12      LEU  20  -5.442  -0.470  -6.360
  163   1HD2  LEU  20          HD22      LEU  20  -8.141  -2.866  -4.085
  164   2HD2  LEU  20          HD21      LEU  20  -7.735  -1.234  -3.562
  165   3HD2  LEU  20          HD23      LEU  20  -8.744  -1.476  -4.984
  166    H    ALA  21           HN       ALA  21  -5.107  -4.890  -8.249
  167    HA   ALA  21           HA       ALA  21  -7.352  -6.292  -9.512
  168   1HB   ALA  21           HB1      ALA  21  -5.288  -4.928 -10.561
  169   2HB   ALA  21           HB3      ALA  21  -4.591  -6.545 -10.596
  170   3HB   ALA  21           HB2      ALA  21  -6.101  -6.219 -11.441
  171    H    GLU  22           HN       GLU  22  -4.257  -7.135  -8.031
  172    HA   GLU  22           HA       GLU  22  -4.219  -9.897  -8.626
  173   1HB   GLU  22           HB2      GLU  22  -2.467  -8.416  -7.395
  174   2HB   GLU  22           HB1      GLU  22  -3.352  -8.855  -5.939
  175   1HG   GLU  22           HG2      GLU  22  -3.066 -11.262  -6.515
  176   2HG   GLU  22           HG1      GLU  22  -2.129 -10.796  -7.933
  177    H    HIS  23           HN       HIS  23  -5.740  -8.198  -5.909
  178    HA   HIS  23           HA       HIS  23  -7.020 -10.728  -5.045
  179   1HB   HIS  23           HB2      HIS  23  -7.229  -7.964  -3.818
  180   2HB   HIS  23           HB1      HIS  23  -7.728  -9.483  -3.079
  181    HD1  HIS  23           HD1      HIS  23  -5.427 -11.189  -3.348
  182    HD2  HIS  23           HD2      HIS  23  -4.860  -7.225  -2.695
  183    HE1  HIS  23           HE1      HIS  23  -3.185 -11.022  -2.431
  184    H    ASN  24           HN       ASN  24  -7.621  -8.286  -7.193
  185    HA   ASN  24           HA       ASN  24  -9.552  -7.661  -8.373
  186   1HB   ASN  24           HB2      ASN  24  -9.804 -10.264  -8.177
  187   2HB   ASN  24           HB1      ASN  24 -11.069  -9.870  -7.016
  188   1HD2  ASN  24          HD22      ASN  24 -11.588  -8.559 -10.890
  189   2HD2  ASN  24          HD21      ASN  24 -10.020  -8.622 -10.243
  190    H    LEU  25           HN       LEU  25  -9.012  -6.418  -5.896
  191    HA   LEU  25           HA       LEU  25 -11.710  -6.072  -4.674
  192   1HB   LEU  25           HB2      LEU  25  -8.955  -5.231  -3.744
  193   2HB   LEU  25           HB1      LEU  25 -10.439  -4.840  -2.886
  194    HG   LEU  25           HG       LEU  25  -9.549  -7.669  -3.573
  195   1HD1  LEU  25          HD12      LEU  25  -8.031  -6.585  -1.940
  196   2HD1  LEU  25          HD11      LEU  25  -9.417  -6.160  -0.940
  197   3HD1  LEU  25          HD13      LEU  25  -8.986  -7.851  -1.174
  198   1HD2  LEU  25          HD21      LEU  25 -11.985  -6.476  -2.381
  199   2HD2  LEU  25          HD23      LEU  25 -11.767  -8.042  -3.152
  200   3HD2  LEU  25          HD22      LEU  25 -11.310  -7.818  -1.467
  201    H    ASP  26           HN       ASP  26 -12.820  -4.607  -5.859
  202    HA   ASP  26           HA       ASP  26 -11.638  -2.412  -7.277
  203   1HB   ASP  26           HB2      ASP  26 -14.010  -1.544  -7.355
  204   2HB   ASP  26           HB1      ASP  26 -13.831  -3.203  -7.920
  205    H    ALA  27           HN       ALA  27 -10.766  -0.624  -6.459
  206    HA   ALA  27           HA       ALA  27 -11.126   0.070  -3.644
  207   1HB   ALA  27           HB1      ALA  27  -9.303   0.764  -5.796
  208   2HB   ALA  27           HB3      ALA  27  -9.819   2.197  -4.912
  209   3HB   ALA  27           HB2      ALA  27  -9.055   0.861  -4.055
  210    H    SER  28           HN       SER  28 -12.486   1.033  -6.671
  211    HA   SER  28           HA       SER  28 -13.382   3.633  -6.197
  212   1HB   SER  28           HB2      SER  28 -15.582   2.516  -7.418
  213   2HB   SER  28           HB1      SER  28 -14.107   2.994  -8.282
  214    HG   SER  28           HG1      SER  28 -14.399   0.835  -8.689
  215    H    ALA  29           HN       ALA  29 -14.145   0.833  -4.438
  216    HA   ALA  29           HA       ALA  29 -16.637   2.022  -3.329
  217   1HB   ALA  29           HB3      ALA  29 -16.149  -0.532  -4.012
  218   2HB   ALA  29           HB2      ALA  29 -15.611  -0.586  -2.336
  219   3HB   ALA  29           HB1      ALA  29 -17.260  -0.100  -2.716
  220    H    ILE  30           HN       ILE  30 -13.486   0.778  -2.274
  221    HA   ILE  30           HA       ILE  30 -13.764   1.343   0.493
  222    HB   ILE  30           HB       ILE  30 -11.212   1.561  -1.130
  223   1HG1  ILE  30          HG12      ILE  30 -12.274  -0.553  -1.684
  224   2HG1  ILE  30          HG11      ILE  30 -10.950  -0.887  -0.580
  225   1HG2  ILE  30          HG23      ILE  30 -11.841   1.655   1.723
  226   2HG2  ILE  30          HG22      ILE  30 -10.705   0.365   1.353
  227   3HG2  ILE  30          HG21      ILE  30 -10.331   2.024   0.902
  228   1HD1  ILE  30           HD2      ILE  30 -12.809  -0.652   1.280
  229   2HD1  ILE  30           HD1      ILE  30 -13.915  -0.947  -0.054
  230   3HD1  ILE  30           HD3      ILE  30 -12.696  -2.146   0.359
  231    H    LYS  31           HN       LYS  31 -13.046   3.119   1.750
  232    HA   LYS  31           HA       LYS  31 -13.263   5.706   0.310
  233   1HB   LYS  31           HB2      LYS  31 -14.106   4.736   2.874
  234   2HB   LYS  31           HB1      LYS  31 -13.025   6.103   3.116
  235   1HG   LYS  31           HG2      LYS  31 -14.367   7.416   1.470
  236   2HG   LYS  31           HG1      LYS  31 -15.477   6.058   1.324
  237   1HD   LYS  31           HD2      LYS  31 -15.639   6.235   3.933
  238   2HD   LYS  31           HD1      LYS  31 -14.997   7.856   3.694
  239   1HE   LYS  31           HE2      LYS  31 -17.599   6.694   2.712
  240   2HE   LYS  31           HE1      LYS  31 -17.323   8.202   3.574
  241   1HZ   LYS  31           HZ2      LYS  31 -15.891   8.600   1.359
  242   2HZ   LYS  31           HZ1      LYS  31 -17.143   7.630   0.747
  243   3HZ   LYS  31           HZ3      LYS  31 -17.508   9.084   1.546
  244    H    GLY  32           HN       GLY  32 -11.528   6.935  -0.070
  245   1HA   GLY  32           HA2      GLY  32  -8.931   6.099   1.074
  246   2HA   GLY  32           HA1      GLY  32  -9.150   7.231  -0.256
  247    H    THR  33           HN       THR  33  -7.452   7.703   1.941
  248    HA   THR  33           HA       THR  33  -8.771  10.125   3.076
  249    HB   THR  33           HB       THR  33  -7.460   9.535   5.267
  250    HG1  THR  33           HG1      THR  33  -7.788   6.920   4.369
  251   1HG2  THR  33          HG21      THR  33 -10.034   8.592   4.287
  252   2HG2  THR  33          HG23      THR  33  -9.289   7.368   5.308
  253   3HG2  THR  33          HG22      THR  33  -9.574   8.986   5.940
  254    H    GLY  34           HN       GLY  34  -5.620   8.659   3.731
  255   1HA   GLY  34           HA2      GLY  34  -3.485   9.660   3.611
  256   2HA   GLY  34           HA1      GLY  34  -3.971   9.992   1.951
  257    H    VAL  35           HN       VAL  35  -2.690  11.940   2.139
  258    HA   VAL  35           HA       VAL  35  -2.922  14.018   3.955
  259    HB   VAL  35           HB       VAL  35  -2.699  14.136   0.942
  260   1HG1  VAL  35          HG13      VAL  35  -2.899  16.295   2.995
  261   2HG1  VAL  35          HG12      VAL  35  -1.681  16.496   1.741
  262   3HG1  VAL  35          HG11      VAL  35  -3.375  16.316   1.301
  263   1HG2  VAL  35          HG23      VAL  35  -0.884  13.089   2.447
  264   2HG2  VAL  35          HG22      VAL  35  -0.361  14.367   1.355
  265   3HG2  VAL  35          HG21      VAL  35  -0.617  14.718   3.061
  266    H    GLY  36           HN       GLY  36  -5.231  13.057   1.506
  267   1HA   GLY  36           HA2      GLY  36  -7.577  13.814   2.592
  268   2HA   GLY  36           HA1      GLY  36  -6.959  15.384   2.084
  269    H    GLY  37           HN       GLY  37  -7.349  12.096   0.762
  270   1HA   GLY  37           HA2      GLY  37  -9.067  12.051  -1.172
  271   2HA   GLY  37           HA1      GLY  37  -8.078  13.331  -1.864
  272    NH1  ARG  38           NH2      ARG  38  -1.898  12.177  -5.526
  273    NH2  ARG  38           NH1      ARG  38   0.176  12.229  -4.570
  274    H    ARG  38           HN       ARG  38  -5.802  11.660  -0.446
  275    HA   ARG  38           HA       ARG  38  -5.132  10.179  -2.896
  276   1HB   ARG  38           HB2      ARG  38  -3.492  11.584  -1.488
  277   2HB   ARG  38           HB1      ARG  38  -3.523  10.252  -0.344
  278   1HG   ARG  38           HG2      ARG  38  -1.648   9.865  -1.821
  279   2HG   ARG  38           HG1      ARG  38  -2.894   8.699  -2.243
  280   1HD   ARG  38           HD2      ARG  38  -3.084   9.547  -4.340
  281   2HD   ARG  38           HD1      ARG  38  -3.224  11.195  -3.736
  282    HE   ARG  38           HE       ARG  38  -0.538   9.919  -3.911
  283   1HH1  ARG  38          HH21      ARG  38  -2.780  11.718  -5.632
  284   2HH1  ARG  38          HH22      ARG  38  -1.713  13.026  -6.021
  285   1HH2  ARG  38          HH11      ARG  38   0.848  11.810  -3.960
  286   2HH2  ARG  38          HH12      ARG  38   0.395  13.080  -5.048
  287    H    LEU  39           HN       LEU  39  -5.517   8.082  -3.185
  288    HA   LEU  39           HA       LEU  39  -6.636   6.497  -0.991
  289   1HB   LEU  39           HB2      LEU  39  -7.634   6.183  -3.155
  290   2HB   LEU  39           HB1      LEU  39  -6.069   5.905  -3.904
  291    HG   LEU  39           HG       LEU  39  -5.812   3.784  -2.769
  292   1HD1  LEU  39          HD12      LEU  39  -8.191   4.751  -1.175
  293   2HD1  LEU  39          HD11      LEU  39  -7.792   3.039  -1.261
  294   3HD1  LEU  39          HD13      LEU  39  -6.637   4.178  -0.577
  295   1HD2  LEU  39          HD21      LEU  39  -7.642   4.187  -4.691
  296   2HD2  LEU  39          HD23      LEU  39  -7.403   2.606  -3.955
  297   3HD2  LEU  39          HD22      LEU  39  -8.722   3.638  -3.414
  298    H    THR  40           HN       THR  40  -5.232   5.736   0.480
  299    HA   THR  40           HA       THR  40  -2.542   4.843  -0.401
  300    HB   THR  40           HB       THR  40  -1.959   4.882   1.983
  301    HG1  THR  40           HG1      THR  40  -4.243   5.692   3.023
  302   1HG2  THR  40          HG23      THR  40  -2.641   7.161   0.678
  303   2HG2  THR  40          HG22      THR  40  -3.888   7.167   1.921
  304   3HG2  THR  40          HG21      THR  40  -2.188   7.166   2.380
  305    NH1  ARG  41           NH2      ARG  41   0.208  -3.509   3.062
  306    NH2  ARG  41           NH1      ARG  41   1.430  -4.290   1.297
  307    H    ARG  41           HN       ARG  41  -1.806   2.870   1.112
  308    HA   ARG  41           HA       ARG  41  -3.625   0.667   0.353
  309   1HB   ARG  41           HB2      ARG  41  -1.142   0.613  -0.121
  310   2HB   ARG  41           HB1      ARG  41  -0.882   0.481   1.614
  311   1HG   ARG  41           HG2      ARG  41  -2.207  -1.582   1.686
  312   2HG   ARG  41           HG1      ARG  41  -2.575  -1.432  -0.028
  313   1HD   ARG  41           HD2      ARG  41  -0.416  -2.014  -0.680
  314   2HD   ARG  41           HD1      ARG  41   0.306  -1.418   0.814
  315    HE   ARG  41           HE       ARG  41  -1.303  -3.941   0.724
  316   1HH1  ARG  41          HH21      ARG  41  -0.621  -3.063   3.399
  317   2HH1  ARG  41          HH22      ARG  41   0.917  -3.796   3.705
  318   1HH2  ARG  41          HH11      ARG  41   1.516  -4.432   0.311
  319   2HH2  ARG  41          HH12      ARG  41   2.160  -4.592   1.911
  320    H    GLU  42           HN       GLU  42  -2.723   2.470   3.114
  321    HA   GLU  42           HA       GLU  42  -3.344   0.427   5.092
  322   1HB   GLU  42           HB2      GLU  42  -3.251   3.437   5.417
  323   2HB   GLU  42           HB1      GLU  42  -3.188   2.247   6.713
  324   1HG   GLU  42           HG2      GLU  42  -1.117   1.289   5.535
  325   2HG   GLU  42           HG1      GLU  42  -1.121   2.754   4.556
  326    H    ASP  43           HN       ASP  43  -5.263   1.882   2.918
  327    HA   ASP  43           HA       ASP  43  -7.553   2.369   4.730
  328   1HB   ASP  43           HB2      ASP  43  -6.948   2.928   1.857
  329   2HB   ASP  43           HB1      ASP  43  -8.638   2.788   2.339
  330    H    VAL  44           HN       VAL  44  -6.655   0.267   2.026
  331    HA   VAL  44           HA       VAL  44  -9.102  -1.268   2.092
  332    HB   VAL  44           HB       VAL  44  -6.397  -2.101   1.015
  333   1HG1  VAL  44          HG12      VAL  44  -9.251  -2.998   0.518
  334   2HG1  VAL  44          HG11      VAL  44  -7.930  -3.388  -0.577
  335   3HG1  VAL  44          HG13      VAL  44  -7.901  -3.978   1.081
  336   1HG2  VAL  44          HG21      VAL  44  -8.656  -0.512  -0.246
  337   2HG2  VAL  44          HG23      VAL  44  -7.017   0.054   0.061
  338   3HG2  VAL  44          HG22      VAL  44  -7.306  -1.193  -1.148
  339    H    GLU  45           HN       GLU  45  -6.441  -1.140   4.144
  340    HA   GLU  45           HA       GLU  45  -5.900  -3.739   4.957
  341   1HB   GLU  45           HB2      GLU  45  -5.017  -1.539   5.934
  342   2HB   GLU  45           HB1      GLU  45  -6.451  -1.544   6.956
  343   1HG   GLU  45           HG2      GLU  45  -5.553  -4.121   7.273
  344   2HG   GLU  45           HG1      GLU  45  -4.036  -3.243   7.098
  345    H    LYS  46           HN       LYS  46  -8.654  -1.745   5.981
  346    HA   LYS  46           HA       LYS  46  -9.814  -3.908   7.557
  347   1HB   LYS  46           HB2      LYS  46 -10.135  -1.409   7.962
  348   2HB   LYS  46           HB1      LYS  46 -11.229  -1.422   6.584
  349   1HG   LYS  46           HG2      LYS  46 -12.092  -3.600   8.062
  350   2HG   LYS  46           HG1      LYS  46 -11.648  -2.442   9.310
  351   1HD   LYS  46           HD2      LYS  46 -13.514  -1.918   6.972
  352   2HD   LYS  46           HD1      LYS  46 -13.993  -2.107   8.654
  353   1HE   LYS  46           HE2      LYS  46 -13.756   0.145   8.815
  354   2HE   LYS  46           HE1      LYS  46 -12.023  -0.158   8.787
  355   1HZ   LYS  46           HZ3      LYS  46 -13.084  -0.190   6.163
  356   2HZ   LYS  46           HZ2      LYS  46 -13.491   1.261   6.945
  357   3HZ   LYS  46           HZ1      LYS  46 -11.864   0.793   6.817
  358    H    HIS  47           HN       HIS  47  -9.305  -4.827   4.987
  359    HA   HIS  47           HA       HIS  47 -12.069  -5.463   4.114
  360   1HB   HIS  47           HB2      HIS  47 -10.842  -3.516   2.766
  361   2HB   HIS  47           HB1      HIS  47 -10.089  -4.886   1.954
  362    HD1  HIS  47           HD1      HIS  47 -13.573  -3.987   2.912
  363    HD2  HIS  47           HD2      HIS  47 -11.587  -5.768  -0.144
  364    HE1  HIS  47           HE1      HIS  47 -15.289  -4.523   1.281
  365    H    LEU  48           HN       LEU  48  -8.612  -6.098   3.854
  366    HA   LEU  48           HA       LEU  48  -8.824  -8.606   2.484
  367   1HB   LEU  48           HB2      LEU  48  -6.738  -7.224   4.108
  368   2HB   LEU  48           HB1      LEU  48  -6.542  -8.951   3.828
  369    HG   LEU  48           HG       LEU  48  -7.240  -7.158   1.516
  370   1HD1  LEU  48          HD11      LEU  48  -4.516  -7.514   2.800
  371   2HD1  LEU  48          HD13      LEU  48  -4.721  -6.992   1.131
  372   3HD1  LEU  48          HD12      LEU  48  -5.345  -6.001   2.446
  373   1HD2  LEU  48          HD23      LEU  48  -6.978  -9.832   1.698
  374   2HD2  LEU  48          HD22      LEU  48  -6.516  -8.949   0.247
  375   3HD2  LEU  48          HD21      LEU  48  -5.290  -9.418   1.420
  376    H    ALA  49           HN       ALA  49  -9.058  -7.703   5.858
  377    HA   ALA  49           HA       ALA  49  -9.217 -10.551   6.669
  378   1HB   ALA  49           HB2      ALA  49  -7.950  -8.684   7.960
  379   2HB   ALA  49           HB1      ALA  49  -9.547  -8.195   8.517
  380   3HB   ALA  49           HB3      ALA  49  -8.941  -9.806   8.887
  381    H    LYS  50           HN       LYS  50 -11.027 -11.296   7.963
  382    HA   LYS  50           HA       LYS  50 -13.574 -10.158   6.968
  383   1HB   LYS  50           HB2      LYS  50 -12.687 -12.776   8.063
  384   2HB   LYS  50           HB1      LYS  50 -14.354 -12.313   8.383
  385   1HG   LYS  50           HG2      LYS  50 -14.149 -13.581   6.254
  386   2HG   LYS  50           HG1      LYS  50 -14.731 -11.943   5.977
  387   1HD   LYS  50           HD2      LYS  50 -12.705 -11.235   5.057
  388   2HD   LYS  50           HD1      LYS  50 -11.774 -12.463   5.907
  389   1HE   LYS  50           HE2      LYS  50 -11.976 -12.966   3.476
  390   2HE   LYS  50           HE1      LYS  50 -12.717 -14.213   4.468
  391   1HZ   LYS  50           HZ2      LYS  50 -14.245 -11.959   3.312
  392   2HZ   LYS  50           HZ1      LYS  50 -14.049 -13.448   2.519
  393   3HZ   LYS  50           HZ3      LYS  50 -14.855 -13.381   4.013
  394    H    ALA  51           HN       ALA  51 -11.663 -10.266   9.815
  395    HA   ALA  51           HA       ALA  51 -13.737  -8.705  11.241
  396   1HB   ALA  51           HB2      ALA  51 -13.893 -11.231  11.794
  397   2HB   ALA  51           HB1      ALA  51 -12.385 -10.986  12.671
  398   3HB   ALA  51           HB3      ALA  51 -13.832 -10.099  13.143
   
 Raw file had 398 H/Q atoms
  Start of MODEL   50
    1    OH   TYR   1           OH       TYR   1  26.726  14.043  -7.061
    2   1H    TYR   1           HT1      TYR   1  22.041   9.889  -9.598
    3   2H    TYR   1           HT3      TYR   1  23.067  10.845  -8.640
    4   3H    TYR   1           HT2      TYR   1  21.895   9.860  -7.906
    5    HA   TYR   1           HA       TYR   1  20.835  11.854  -7.795
    6   1HB   TYR   1           HB2      TYR   1  21.896  12.569 -10.541
    7   2HB   TYR   1           HB1      TYR   1  21.074  13.640  -9.407
    8    HD1  TYR   1           HD1      TYR   1  24.210  11.845 -10.115
    9    HD2  TYR   1           HD2      TYR   1  22.236  14.484  -7.426
   10    HE1  TYR   1           HE1      TYR   1  26.359  12.385  -9.067
   11    HE2  TYR   1           HE2      TYR   1  24.385  15.024  -6.378
   12    HH   TYR   1           HH       TYR   1  27.404  13.506  -7.479
   13    H    ALA   2           HN       ALA   2  19.625  12.957 -10.295
   14    HA   ALA   2           HA       ALA   2  17.593  10.819 -10.613
   15   1HB   ALA   2           HB3      ALA   2  17.636  13.782 -10.973
   16   2HB   ALA   2           HB2      ALA   2  16.495  12.855 -11.940
   17   3HB   ALA   2           HB1      ALA   2  16.433  12.769 -10.182
   18    H    SER   3           HN       SER   3  17.430   9.646 -12.423
   19    HA   SER   3           HA       SER   3  18.493  10.723 -14.965
   20   1HB   SER   3           HB2      SER   3  19.620   8.403 -15.316
   21   2HB   SER   3           HB1      SER   3  20.435   9.542 -14.225
   22    HG   SER   3           HG1      SER   3  19.872   8.362 -12.567
   23    H    LEU   4           HN       LEU   4  16.639   8.383 -13.225
   24    HA   LEU   4           HA       LEU   4  14.905   8.030 -15.608
   25   1HB   LEU   4           HB2      LEU   4  16.501   5.913 -14.254
   26   2HB   LEU   4           HB1      LEU   4  14.849   5.494 -14.694
   27    HG   LEU   4           HG       LEU   4  16.593   6.868 -16.724
   28   1HD1  LEU   4          HD13      LEU   4  16.618   3.903 -16.061
   29   2HD1  LEU   4          HD12      LEU   4  17.359   4.623 -17.486
   30   3HD1  LEU   4          HD11      LEU   4  17.973   5.012 -15.883
   31   1HD2  LEU   4          HD22      LEU   4  14.051   6.278 -16.906
   32   2HD2  LEU   4          HD21      LEU   4  15.099   5.883 -18.264
   33   3HD2  LEU   4          HD23      LEU   4  14.614   4.626 -17.131
   34    H    GLU   5           HN       GLU   5  15.098   6.375 -12.480
   35    HA   GLU   5           HA       GLU   5  12.734   7.839 -11.493
   36   1HB   GLU   5           HB2      GLU   5  12.691   4.858 -12.038
   37   2HB   GLU   5           HB1      GLU   5  11.487   5.698 -11.069
   38   1HG   GLU   5           HG2      GLU   5  11.154   7.241 -13.106
   39   2HG   GLU   5           HG1      GLU   5  12.078   6.050 -14.018
   40    H    GLU   6           HN       GLU   6  15.502   7.540 -10.667
   41    HA   GLU   6           HA       GLU   6  15.764   5.699  -8.493
   42   1HB   GLU   6           HB2      GLU   6  17.110   8.381  -8.911
   43   2HB   GLU   6           HB1      GLU   6  17.636   7.148  -7.770
   44   1HG   GLU   6           HG2      GLU   6  17.235   6.071 -10.466
   45   2HG   GLU   6           HG1      GLU   6  18.451   7.345 -10.425
   46    H    GLN   7           HN       GLN   7  15.541   9.227  -8.136
   47    HA   GLN   7           HA       GLN   7  14.289   8.861  -5.495
   48   1HB   GLN   7           HB2      GLN   7  14.608  11.552  -6.750
   49   2HB   GLN   7           HB1      GLN   7  14.858  11.063  -5.078
   50   1HG   GLN   7           HG2      GLN   7  16.866   9.720  -5.887
   51   2HG   GLN   7           HG1      GLN   7  16.672  10.517  -7.447
   52   1HE2  GLN   7          HE22      GLN   7  18.844  12.989  -6.132
   53   2HE2  GLN   7          HE21      GLN   7  18.674  11.714  -7.241
   54    H    ASN   8           HN       ASN   8  12.808  11.391  -5.708
   55    HA   ASN   8           HA       ASN   8  10.561  11.984  -6.078
   56   1HB   ASN   8           HB2      ASN   8  11.738  11.223  -8.663
   57   2HB   ASN   8           HB1      ASN   8   9.979  11.138  -8.629
   58   1HD2  ASN   8          HD22      ASN   8   9.805  14.611  -9.099
   59   2HD2  ASN   8          HD21      ASN   8   9.247  13.066  -9.527
   60    H    ASN   9           HN       ASN   9  11.425   8.998  -5.489
   61    HA   ASN   9           HA       ASN   9   8.887   7.677  -6.280
   62   1HB   ASN   9           HB2      ASN   9  11.594   6.792  -5.652
   63   2HB   ASN   9           HB1      ASN   9  10.375   5.855  -4.792
   64   1HD2  ASN   9          HD22      ASN   9   9.875   3.948  -7.699
   65   2HD2  ASN   9          HD21      ASN   9  10.188   3.972  -6.031
   66    H    ASP  10           HN       ASP  10   9.857   9.610  -3.852
   67    HA   ASP  10           HA       ASP  10   8.706   8.093  -1.610
   68   1HB   ASP  10           HB2      ASP  10   9.624  10.979  -1.748
   69   2HB   ASP  10           HB1      ASP  10   9.240  10.086  -0.279
   70    H    ALA  11           HN       ALA  11   6.546   7.787  -2.172
   71    HA   ALA  11           HA       ALA  11   4.716   9.837  -1.419
   72   1HB   ALA  11           HB1      ALA  11   5.307   9.588  -4.355
   73   2HB   ALA  11           HB3      ALA  11   3.695  10.052  -3.819
   74   3HB   ALA  11           HB2      ALA  11   5.084  11.045  -3.391
   75    H    LEU  12           HN       LEU  12   4.282   7.754  -4.231
   76    HA   LEU  12           HA       LEU  12   2.188   6.277  -2.725
   77   1HB   LEU  12           HB2      LEU  12   2.822   6.153  -5.678
   78   2HB   LEU  12           HB1      LEU  12   1.372   5.552  -4.881
   79    HG   LEU  12           HG       LEU  12   2.248   8.462  -4.987
   80   1HD1  LEU  12          HD12      LEU  12   1.236   7.162  -7.075
   81   2HD1  LEU  12          HD11      LEU  12  -0.276   7.379  -6.198
   82   3HD1  LEU  12          HD13      LEU  12   0.673   8.782  -6.676
   83   1HD2  LEU  12          HD23      LEU  12   0.033   6.981  -3.591
   84   2HD2  LEU  12          HD22      LEU  12   1.032   8.303  -2.994
   85   3HD2  LEU  12          HD21      LEU  12  -0.254   8.626  -4.151
   86    H    SER  13           HN       SER  13   2.247   4.011  -4.457
   87    HA   SER  13           HA       SER  13   4.867   2.758  -3.894
   88   1HB   SER  13           HB2      SER  13   2.690   2.394  -2.198
   89   2HB   SER  13           HB1      SER  13   2.716   0.935  -3.208
   90    HG   SER  13           HG1      SER  13   5.108   2.042  -2.219
   91    HA   PRO  14           HA       PRO  14   3.511   1.506  -8.087
   92   1HB   PRO  14           HB2      PRO  14   5.998   0.090  -8.440
   93   2HB   PRO  14           HB1      PRO  14   5.458   1.570  -9.236
   94   1HG   PRO  14           HG2      PRO  14   7.486   1.337  -7.213
   95   2HG   PRO  14           HG1      PRO  14   6.863   2.826  -7.923
   96   1HD   PRO  14           HD1      PRO  14   6.376   1.752  -5.265
   97   2HD   PRO  14           HD2      PRO  14   5.852   3.313  -5.929
   98    H    ALA  15           HN       ALA  15   4.006  -0.164  -5.300
   99    HA   ALA  15           HA       ALA  15   3.638  -2.855  -6.497
  100   1HB   ALA  15           HB1      ALA  15   4.423  -1.809  -3.810
  101   2HB   ALA  15           HB3      ALA  15   3.651  -3.390  -3.889
  102   3HB   ALA  15           HB2      ALA  15   5.152  -3.098  -4.763
  103    H    ILE  16           HN       ILE  16   1.860  -0.294  -5.131
  104    HA   ILE  16           HA       ILE  16  -0.322  -1.762  -3.975
  105    HB   ILE  16           HB       ILE  16   0.266   0.764  -3.764
  106   1HG1  ILE  16          HG12      ILE  16  -2.614  -0.089  -4.246
  107   2HG1  ILE  16          HG11      ILE  16  -1.727  -0.349  -2.749
  108   1HG2  ILE  16          HG21      ILE  16   0.089   0.950  -6.355
  109   2HG2  ILE  16          HG23      ILE  16  -1.649   0.996  -6.082
  110   3HG2  ILE  16          HG22      ILE  16  -0.616   2.236  -5.381
  111   1HD1  ILE  16           HD2      ILE  16  -1.308   2.199  -2.758
  112   2HD1  ILE  16           HD1      ILE  16  -2.568   2.279  -3.986
  113   3HD1  ILE  16           HD3      ILE  16  -2.942   1.663  -2.379
  114    NH1  ARG  17           NH2      ARG  17   1.148   2.298 -12.171
  115    NH2  ARG  17           NH1      ARG  17   0.505   1.168 -14.050
  116    H    ARG  17           HN       ARG  17   0.592  -1.086  -7.215
  117    HA   ARG  17           HA       ARG  17  -2.015  -1.314  -8.435
  118   1HB   ARG  17           HB2      ARG  17   0.723  -1.849  -9.615
  119   2HB   ARG  17           HB1      ARG  17  -0.761  -1.618 -10.532
  120   1HG   ARG  17           HG2      ARG  17  -0.465   0.545  -8.648
  121   2HG   ARG  17           HG1      ARG  17   1.015   0.388  -9.586
  122   1HD   ARG  17           HD2      ARG  17  -1.763   0.484 -10.810
  123   2HD   ARG  17           HD1      ARG  17  -0.696   1.881 -10.674
  124    HE   ARG  17           HE       ARG  17   0.002  -0.555 -12.269
  125   1HH1  ARG  17          HH21      ARG  17   1.162   2.363 -11.174
  126   2HH1  ARG  17          HH22      ARG  17   1.595   3.002 -12.725
  127   1HH2  ARG  17          HH11      ARG  17   0.035   0.385 -14.460
  128   2HH2  ARG  17          HH12      ARG  17   0.941   1.852 -14.634
  129    NH1  ARG  18           NH1      ARG  18   0.170  -7.083 -12.865
  130    NH2  ARG  18           NH2      ARG  18   1.297  -9.067 -12.972
  131    H    ARG  18           HN       ARG  18   0.570  -3.623  -7.737
  132    HA   ARG  18           HA       ARG  18  -0.835  -5.843  -9.000
  133   1HB   ARG  18           HB2      ARG  18   1.640  -5.558  -7.327
  134   2HB   ARG  18           HB1      ARG  18   0.953  -7.156  -7.594
  135   1HG   ARG  18           HG2      ARG  18   1.272  -5.365  -9.970
  136   2HG   ARG  18           HG1      ARG  18   2.723  -6.103  -9.300
  137   1HD   ARG  18           HD2      ARG  18   1.704  -8.337  -9.500
  138   2HD   ARG  18           HD1      ARG  18   0.215  -7.619 -10.111
  139    HE   ARG  18           HE       ARG  18   2.779  -7.244 -11.596
  140   1HH1  ARG  18          HH11      ARG  18   0.045  -6.191 -12.430
  141   2HH1  ARG  18          HH12      ARG  18  -0.417  -7.353 -13.628
  142   1HH2  ARG  18          HH21      ARG  18   2.019  -9.662 -12.617
  143   2HH2  ARG  18          HH22      ARG  18   0.730  -9.370 -13.737
  144    H    LEU  19           HN       LEU  19  -1.617  -4.146  -6.370
  145    HA   LEU  19           HA       LEU  19  -2.278  -6.437  -4.618
  146   1HB   LEU  19           HB2      LEU  19  -1.429  -4.125  -3.821
  147   2HB   LEU  19           HB1      LEU  19  -3.071  -3.572  -4.133
  148    HG   LEU  19           HG       LEU  19  -3.662  -5.794  -2.742
  149   1HD1  LEU  19          HD13      LEU  19  -1.057  -6.109  -2.569
  150   2HD1  LEU  19          HD12      LEU  19  -1.170  -4.872  -1.321
  151   3HD1  LEU  19          HD11      LEU  19  -2.047  -6.388  -1.141
  152   1HD2  LEU  19          HD21      LEU  19  -2.856  -3.068  -1.688
  153   2HD2  LEU  19          HD23      LEU  19  -4.477  -3.633  -2.079
  154   3HD2  LEU  19          HD22      LEU  19  -3.633  -4.284  -0.678
  155    H    LEU  20           HN       LEU  20  -3.976  -3.808  -6.304
  156    HA   LEU  20           HA       LEU  20  -6.607  -4.857  -5.707
  157   1HB   LEU  20           HB2      LEU  20  -5.640  -2.869  -7.773
  158   2HB   LEU  20           HB1      LEU  20  -7.338  -3.238  -7.496
  159    HG   LEU  20           HG       LEU  20  -5.728  -2.591  -5.078
  160   1HD1  LEU  20          HD13      LEU  20  -6.424  -0.577  -7.236
  161   2HD1  LEU  20          HD12      LEU  20  -6.098  -0.116  -5.568
  162   3HD1  LEU  20          HD11      LEU  20  -4.840  -0.885  -6.532
  163   1HD2  LEU  20          HD23      LEU  20  -8.222  -3.093  -5.171
  164   2HD2  LEU  20          HD22      LEU  20  -7.805  -1.570  -4.392
  165   3HD2  LEU  20          HD21      LEU  20  -8.420  -1.577  -6.043
  166    H    ALA  21           HN       ALA  21  -4.193  -5.835  -7.835
  167    HA   ALA  21           HA       ALA  21  -6.091  -6.969  -9.810
  168   1HB   ALA  21           HB2      ALA  21  -3.100  -6.689  -9.675
  169   2HB   ALA  21           HB1      ALA  21  -3.835  -7.821 -10.807
  170   3HB   ALA  21           HB3      ALA  21  -4.209  -6.103 -10.911
  171    H    GLU  22           HN       GLU  22  -4.404  -7.858  -6.982
  172    HA   GLU  22           HA       GLU  22  -4.484 -10.748  -7.619
  173   1HB   GLU  22           HB2      GLU  22  -2.517  -9.862  -6.436
  174   2HB   GLU  22           HB1      GLU  22  -3.551  -9.291  -5.131
  175   1HG   GLU  22           HG2      GLU  22  -4.100 -11.494  -4.447
  176   2HG   GLU  22           HG1      GLU  22  -3.569 -12.193  -5.974
  177    H    HIS  23           HN       HIS  23  -6.487  -8.400  -6.292
  178    HA   HIS  23           HA       HIS  23  -8.135 -10.493  -4.915
  179   1HB   HIS  23           HB2      HIS  23  -8.118  -7.562  -4.185
  180   2HB   HIS  23           HB1      HIS  23  -8.789  -8.904  -3.262
  181    HD1  HIS  23           HD1      HIS  23  -6.622 -10.748  -2.964
  182    HD2  HIS  23           HD2      HIS  23  -5.790  -6.777  -3.016
  183    HE1  HIS  23           HE1      HIS  23  -4.460 -10.550  -1.880
  184    H    ASN  24           HN       ASN  24  -7.954  -8.062  -7.294
  185    HA   ASN  24           HA       ASN  24  -9.556  -7.201  -8.784
  186   1HB   ASN  24           HB2      ASN  24  -9.845  -9.741  -9.026
  187   2HB   ASN  24           HB1      ASN  24 -11.261  -9.564  -7.993
  188   1HD2  ASN  24          HD22      ASN  24 -12.424  -7.071 -10.692
  189   2HD2  ASN  24          HD21      ASN  24 -11.714  -6.770  -9.181
  190    H    LEU  25           HN       LEU  25  -9.827  -5.502  -7.085
  191    HA   LEU  25           HA       LEU  25 -12.681  -5.424  -6.245
  192   1HB   LEU  25           HB2      LEU  25 -10.280  -5.262  -4.482
  193   2HB   LEU  25           HB1      LEU  25 -11.636  -4.203  -4.113
  194    HG   LEU  25           HG       LEU  25 -12.158  -7.109  -4.684
  195   1HD1  LEU  25          HD12      LEU  25 -11.158  -5.922  -2.075
  196   2HD1  LEU  25          HD11      LEU  25 -11.932  -7.499  -2.199
  197   3HD1  LEU  25          HD13      LEU  25 -10.398  -7.205  -3.011
  198   1HD2  LEU  25          HD23      LEU  25 -13.824  -5.049  -4.229
  199   2HD2  LEU  25          HD22      LEU  25 -14.186  -6.676  -3.660
  200   3HD2  LEU  25          HD21      LEU  25 -13.493  -5.491  -2.557
  201    H    ASP  26           HN       ASP  26 -13.566  -3.350  -6.174
  202    HA   ASP  26           HA       ASP  26 -11.978  -1.313  -7.631
  203   1HB   ASP  26           HB2      ASP  26 -14.920  -1.595  -7.000
  204   2HB   ASP  26           HB1      ASP  26 -14.245  -0.125  -7.700
  205    H    ALA  27           HN       ALA  27 -11.296   0.554  -6.726
  206    HA   ALA  27           HA       ALA  27 -11.362   0.814  -3.837
  207   1HB   ALA  27           HB3      ALA  27  -9.857   1.904  -5.982
  208   2HB   ALA  27           HB2      ALA  27 -10.577   3.262  -5.122
  209   3HB   ALA  27           HB1      ALA  27  -9.569   2.107  -4.256
  210    H    SER  28           HN       SER  28 -13.529   1.640  -6.264
  211    HA   SER  28           HA       SER  28 -14.569   4.134  -5.414
  212   1HB   SER  28           HB2      SER  28 -16.461   2.008  -6.356
  213   2HB   SER  28           HB1      SER  28 -16.321   3.700  -6.872
  214    HG   SER  28           HG1      SER  28 -14.283   3.151  -7.780
  215    H    ALA  29           HN       ALA  29 -15.079   0.893  -4.171
  216    HA   ALA  29           HA       ALA  29 -17.200   1.763  -2.338
  217   1HB   ALA  29           HB2      ALA  29 -17.030  -0.558  -3.369
  218   2HB   ALA  29           HB1      ALA  29 -15.683  -0.851  -2.274
  219   3HB   ALA  29           HB3      ALA  29 -17.288  -0.522  -1.628
  220    H    ILE  30           HN       ILE  30 -13.758   1.446  -2.302
  221    HA   ILE  30           HA       ILE  30 -13.620   1.514   0.642
  222    HB   ILE  30           HB       ILE  30 -11.348   1.781  -1.345
  223   1HG1  ILE  30          HG12      ILE  30 -12.481  -0.273  -1.900
  224   2HG1  ILE  30          HG11      ILE  30 -11.072  -0.718  -0.954
  225   1HG2  ILE  30          HG21      ILE  30 -11.520   1.789   1.545
  226   2HG2  ILE  30          HG23      ILE  30 -10.593   0.390   1.017
  227   3HG2  ILE  30          HG22      ILE  30 -10.104   2.005   0.524
  228   1HD1  ILE  30           HD1      ILE  30 -12.698  -0.586   1.096
  229   2HD1  ILE  30           HD3      ILE  30 -13.972  -0.677  -0.114
  230   3HD1  ILE  30           HD2      ILE  30 -12.805  -1.985   0.035
  231    H    LYS  31           HN       LYS  31 -13.260   3.295   1.845
  232    HA   LYS  31           HA       LYS  31 -13.672   5.897   0.713
  233   1HB   LYS  31           HB2      LYS  31 -13.421   4.753   3.319
  234   2HB   LYS  31           HB1      LYS  31 -12.332   6.133   3.221
  235   1HG   LYS  31           HG2      LYS  31 -14.170   7.555   2.415
  236   2HG   LYS  31           HG1      LYS  31 -15.266   6.177   2.440
  237   1HD   LYS  31           HD2      LYS  31 -15.685   6.531   4.627
  238   2HD   LYS  31           HD1      LYS  31 -13.973   6.350   4.995
  239   1HE   LYS  31           HE2      LYS  31 -14.803   8.572   5.703
  240   2HE   LYS  31           HE1      LYS  31 -13.591   8.723   4.438
  241   1HZ   LYS  31           HZ1      LYS  31 -16.346   8.502   3.550
  242   2HZ   LYS  31           HZ3      LYS  31 -15.938   9.938   4.360
  243   3HZ   LYS  31           HZ2      LYS  31 -15.086   9.479   2.964
  244    H    GLY  32           HN       GLY  32 -12.230   7.579   0.332
  245   1HA   GLY  32           HA2      GLY  32  -9.340   7.078   0.687
  246   2HA   GLY  32           HA1      GLY  32  -9.894   7.277  -0.972
  247    H    THR  33           HN       THR  33 -10.952   8.933   1.981
  248    HA   THR  33           HA       THR  33 -10.765  11.519   0.633
  249    HB   THR  33           HB       THR  33 -11.372  12.303   3.088
  250    HG1  THR  33           HG1      THR  33 -12.031   9.551   3.163
  251   1HG2  THR  33          HG22      THR  33 -13.088  10.518   1.336
  252   2HG2  THR  33          HG21      THR  33 -13.713  11.220   2.824
  253   3HG2  THR  33          HG23      THR  33 -13.189  12.267   1.509
  254    H    GLY  34           HN       GLY  34  -8.292   9.970   1.015
  255   1HA   GLY  34           HA2      GLY  34  -6.621  10.803   3.074
  256   2HA   GLY  34           HA1      GLY  34  -6.047  10.560   1.427
  257    H    VAL  35           HN       VAL  35  -4.762  12.438   2.803
  258    HA   VAL  35           HA       VAL  35  -5.854  15.066   2.805
  259    HB   VAL  35           HB       VAL  35  -2.972  14.220   2.407
  260   1HG1  VAL  35          HG12      VAL  35  -4.328  16.841   3.051
  261   2HG1  VAL  35          HG11      VAL  35  -2.675  16.529   3.573
  262   3HG1  VAL  35          HG13      VAL  35  -3.073  16.521   1.858
  263   1HG2  VAL  35          HG21      VAL  35  -4.133  13.329   4.466
  264   2HG2  VAL  35          HG23      VAL  35  -2.794  14.414   4.823
  265   3HG2  VAL  35          HG22      VAL  35  -4.451  14.994   4.942
  266    H    GLY  36           HN       GLY  36  -7.052  15.008   0.768
  267   1HA   GLY  36           HA2      GLY  36  -6.650  16.583  -1.232
  268   2HA   GLY  36           HA1      GLY  36  -5.326  15.492  -1.631
  269    H    GLY  37           HN       GLY  37  -7.230  13.319  -0.475
  270   1HA   GLY  37           HA2      GLY  37  -9.233  12.200  -1.295
  271   2HA   GLY  37           HA1      GLY  37  -9.100  13.125  -2.788
  272    NH1  ARG  38           NH1      ARG  38   0.206   9.702  -0.792
  273    NH2  ARG  38           NH2      ARG  38   0.208  11.783   0.152
  274    H    ARG  38           HN       ARG  38  -6.343  11.593  -1.300
  275    HA   ARG  38           HA       ARG  38  -6.112   9.827  -3.687
  276   1HB   ARG  38           HB2      ARG  38  -3.756   9.609  -3.062
  277   2HB   ARG  38           HB1      ARG  38  -4.201  11.310  -3.138
  278   1HG   ARG  38           HG2      ARG  38  -4.692  11.119  -0.612
  279   2HG   ARG  38           HG1      ARG  38  -3.827   9.588  -0.677
  280   1HD   ARG  38           HD2      ARG  38  -2.129  11.293  -2.054
  281   2HD   ARG  38           HD1      ARG  38  -2.770  12.331  -0.782
  282    HE   ARG  38           HE       ARG  38  -2.096  10.156   0.669
  283   1HH1  ARG  38          HH11      ARG  38  -0.307   8.895  -1.084
  284   2HH1  ARG  38          HH12      ARG  38   1.197   9.737  -0.917
  285   1HH2  ARG  38          HH21      ARG  38  -0.304  12.536   0.566
  286   2HH2  ARG  38          HH22      ARG  38   1.200  11.853   0.042
  287    H    LEU  39           HN       LEU  39  -5.971   7.617  -3.513
  288    HA   LEU  39           HA       LEU  39  -7.059   6.437  -1.073
  289   1HB   LEU  39           HB2      LEU  39  -7.575   5.667  -3.440
  290   2HB   LEU  39           HB1      LEU  39  -5.958   4.976  -3.481
  291    HG   LEU  39           HG       LEU  39  -6.752   3.912  -1.153
  292   1HD1  LEU  39          HD12      LEU  39  -8.951   5.061  -1.205
  293   2HD1  LEU  39          HD11      LEU  39  -9.322   4.271  -2.735
  294   3HD1  LEU  39          HD13      LEU  39  -9.146   3.312  -1.269
  295   1HD2  LEU  39          HD23      LEU  39  -7.177   3.038  -3.994
  296   2HD2  LEU  39          HD22      LEU  39  -6.075   2.388  -2.784
  297   3HD2  LEU  39          HD21      LEU  39  -7.796   2.022  -2.695
  298    H    THR  40           HN       THR  40  -5.930   5.604   0.569
  299    HA   THR  40           HA       THR  40  -2.980   5.423   0.296
  300    HB   THR  40           HB       THR  40  -2.892   5.604   2.683
  301    HG1  THR  40           HG1      THR  40  -4.270   4.303   3.624
  302   1HG2  THR  40          HG22      THR  40  -4.199   7.573   1.430
  303   2HG2  THR  40          HG21      THR  40  -5.574   6.914   2.310
  304   3HG2  THR  40          HG23      THR  40  -4.171   7.510   3.189
  305    NH1  ARG  41           NH2      ARG  41   2.682  -1.423  -0.476
  306    NH2  ARG  41           NH1      ARG  41   1.619  -2.271  -2.313
  307    H    ARG  41           HN       ARG  41  -2.010   3.560   1.666
  308    HA   ARG  41           HA       ARG  41  -3.274   1.061   0.684
  309   1HB   ARG  41           HB2      ARG  41  -0.761   1.765   0.389
  310   2HB   ARG  41           HB1      ARG  41  -0.598   1.165   2.036
  311   1HG   ARG  41           HG2      ARG  41  -1.813  -0.952   1.203
  312   2HG   ARG  41           HG1      ARG  41  -1.499  -0.353  -0.420
  313   1HD   ARG  41           HD2      ARG  41   0.975  -0.064   0.578
  314   2HD   ARG  41           HD1      ARG  41   0.425  -1.367   1.630
  315    HE   ARG  41           HE       ARG  41  -0.226  -2.496  -0.654
  316   1HH1  ARG  41          HH21      ARG  41   2.634  -1.106   0.471
  317   2HH1  ARG  41          HH22      ARG  41   3.556  -1.411  -0.963
  318   1HH2  ARG  41          HH11      ARG  41   0.773  -2.592  -2.741
  319   2HH2  ARG  41          HH12      ARG  41   2.474  -2.275  -2.831
  320    H    GLU  42           HN       GLU  42  -3.390   2.876   3.404
  321    HA   GLU  42           HA       GLU  42  -3.455   0.538   5.259
  322   1HB   GLU  42           HB2      GLU  42  -3.470   3.506   5.854
  323   2HB   GLU  42           HB1      GLU  42  -3.425   2.224   7.057
  324   1HG   GLU  42           HG2      GLU  42  -1.363   1.751   5.098
  325   2HG   GLU  42           HG1      GLU  42  -1.217   3.399   5.706
  326    H    ASP  43           HN       ASP  43  -5.537   1.403   3.238
  327    HA   ASP  43           HA       ASP  43  -7.834   1.520   5.156
  328   1HB   ASP  43           HB2      ASP  43  -7.250   3.205   2.766
  329   2HB   ASP  43           HB1      ASP  43  -8.928   2.750   3.050
  330    H    VAL  44           HN       VAL  44  -6.439   0.223   2.267
  331    HA   VAL  44           HA       VAL  44  -8.925  -1.181   1.511
  332    HB   VAL  44           HB       VAL  44  -6.140  -1.192   0.326
  333   1HG1  VAL  44          HG12      VAL  44  -8.643  -2.732  -0.315
  334   2HG1  VAL  44          HG11      VAL  44  -7.565  -2.256  -1.622
  335   3HG1  VAL  44          HG13      VAL  44  -6.971  -3.284  -0.323
  336   1HG2  VAL  44          HG23      VAL  44  -7.447   0.910   0.067
  337   2HG2  VAL  44          HG22      VAL  44  -7.229   0.090  -1.476
  338   3HG2  VAL  44          HG21      VAL  44  -8.772  -0.015  -0.633
  339    H    GLU  45           HN       GLU  45  -6.341  -1.693   3.596
  340    HA   GLU  45           HA       GLU  45  -6.175  -4.588   3.289
  341   1HB   GLU  45           HB2      GLU  45  -5.082  -4.110   5.723
  342   2HB   GLU  45           HB1      GLU  45  -4.195  -3.943   4.218
  343   1HG   GLU  45           HG2      GLU  45  -4.547  -1.576   4.170
  344   2HG   GLU  45           HG1      GLU  45  -5.781  -1.660   5.422
  345    H    LYS  46           HN       LYS  46  -7.392  -2.429   5.847
  346    HA   LYS  46           HA       LYS  46  -8.581  -4.457   7.439
  347   1HB   LYS  46           HB2      LYS  46  -9.900  -2.659   8.443
  348   2HB   LYS  46           HB1      LYS  46  -8.251  -2.106   8.179
  349   1HG   LYS  46           HG2      LYS  46  -9.173  -1.283   5.865
  350   2HG   LYS  46           HG1      LYS  46 -10.745  -1.401   6.647
  351   1HD   LYS  46           HD2      LYS  46  -9.823   0.013   8.529
  352   2HD   LYS  46           HD1      LYS  46  -8.373   0.253   7.561
  353   1HE   LYS  46           HE2      LYS  46 -10.186   0.914   5.705
  354   2HE   LYS  46           HE1      LYS  46 -11.136   1.306   7.132
  355   1HZ   LYS  46           HZ3      LYS  46  -8.564   2.308   7.513
  356   2HZ   LYS  46           HZ2      LYS  46  -9.070   2.777   5.963
  357   3HZ   LYS  46           HZ1      LYS  46 -10.011   3.174   7.317
  358    H    HIS  47           HN       HIS  47  -9.317  -3.629   4.325
  359    HA   HIS  47           HA       HIS  47 -12.227  -4.040   4.524
  360   1HB   HIS  47           HB2      HIS  47 -11.302  -2.453   2.864
  361   2HB   HIS  47           HB1      HIS  47 -10.450  -3.782   2.082
  362    HD1  HIS  47           HD1      HIS  47 -13.922  -2.722   2.781
  363    HD2  HIS  47           HD2      HIS  47 -11.959  -5.284   0.321
  364    HE1  HIS  47           HE1      HIS  47 -15.621  -3.547   1.257
  365    H    LEU  48           HN       LEU  48  -9.519  -5.672   2.885
  366    HA   LEU  48           HA       LEU  48 -10.779  -7.924   1.889
  367   1HB   LEU  48           HB2      LEU  48  -8.084  -7.544   3.156
  368   2HB   LEU  48           HB1      LEU  48  -8.589  -9.152   2.646
  369    HG   LEU  48           HG       LEU  48  -8.986  -6.898   0.717
  370   1HD1  LEU  48          HD13      LEU  48  -6.318  -8.149   1.436
  371   2HD1  LEU  48          HD12      LEU  48  -6.610  -7.332  -0.097
  372   3HD1  LEU  48          HD11      LEU  48  -6.724  -6.435   1.415
  373   1HD2  LEU  48          HD21      LEU  48  -9.691  -9.292   0.314
  374   2HD2  LEU  48          HD23      LEU  48  -8.572  -8.667  -0.893
  375   3HD2  LEU  48          HD22      LEU  48  -7.991  -9.745   0.372
  376    H    ALA  49           HN       ALA  49 -11.509  -9.879   2.677
  377    HA   ALA  49           HA       ALA  49 -12.309  -9.897   5.492
  378   1HB   ALA  49           HB1      ALA  49 -12.990 -11.379   3.051
  379   2HB   ALA  49           HB3      ALA  49 -12.955 -12.385   4.496
  380   3HB   ALA  49           HB2      ALA  49 -14.001 -10.971   4.434
  381    H    LYS  50           HN       LYS  50 -10.644 -12.343   3.504
  382    HA   LYS  50           HA       LYS  50  -8.580 -12.687   5.559
  383   1HB   LYS  50           HB2      LYS  50 -10.951 -14.345   5.538
  384   2HB   LYS  50           HB1      LYS  50  -9.516 -15.319   5.235
  385   1HG   LYS  50           HG2      LYS  50  -8.430 -14.327   7.231
  386   2HG   LYS  50           HG1      LYS  50  -9.874 -13.370   7.537
  387   1HD   LYS  50           HD2      LYS  50 -10.741 -15.111   8.682
  388   2HD   LYS  50           HD1      LYS  50 -10.741 -16.052   7.194
  389   1HE   LYS  50           HE2      LYS  50  -8.453 -15.814   9.176
  390   2HE   LYS  50           HE1      LYS  50  -9.441 -17.240   8.889
  391   1HZ   LYS  50           HZ1      LYS  50  -8.638 -17.051   6.503
  392   2HZ   LYS  50           HZ3      LYS  50  -7.449 -15.998   7.104
  393   3HZ   LYS  50           HZ2      LYS  50  -7.525 -17.599   7.662
  394    H    ALA  51           HN       ALA  51  -6.826 -12.758   4.299
  395    HA   ALA  51           HA       ALA  51  -6.724 -14.780   2.136
  396   1HB   ALA  51           HB1      ALA  51  -7.367 -12.294   1.383
  397   2HB   ALA  51           HB3      ALA  51  -5.618 -12.097   1.457
  398   3HB   ALA  51           HB2      ALA  51  -6.323 -13.317   0.402
   
 Raw file had 398 H/Q atoms
  Start of MODEL   51
    1    OH   TYR   1           OH       TYR   1  18.532  11.153   7.636
    2   1H    TYR   1           HT3      TYR   1  19.208   2.838   7.252
    3   2H    TYR   1           HT2      TYR   1  19.969   3.819   8.411
    4   3H    TYR   1           HT1      TYR   1  18.273   3.752   8.336
    5    HA   TYR   1           HA       TYR   1  18.238   5.438   6.937
    6   1HB   TYR   1           HB2      TYR   1  20.858   5.487   7.960
    7   2HB   TYR   1           HB1      TYR   1  21.028   5.731   6.223
    8    HD1  TYR   1           HD2      TYR   1  19.891   7.642   5.122
    9    HD2  TYR   1           HD1      TYR   1  19.721   7.131   9.340
   10    HE1  TYR   1           HE2      TYR   1  19.110   9.953   5.370
   11    HE2  TYR   1           HE1      TYR   1  18.939   9.441   9.589
   12    HH   TYR   1           HH       TYR   1  19.153  11.727   7.181
   13    H    ALA   2           HN       ALA   2  17.269   4.681   5.130
   14    HA   ALA   2           HA       ALA   2  18.579   2.885   3.269
   15   1HB   ALA   2           HB1      ALA   2  16.035   3.248   3.694
   16   2HB   ALA   2           HB3      ALA   2  16.201   4.590   2.566
   17   3HB   ALA   2           HB2      ALA   2  16.573   2.950   2.044
   18    H    SER   3           HN       SER   3  20.082   3.448   1.835
   19    HA   SER   3           HA       SER   3  21.014   6.054   1.351
   20   1HB   SER   3           HB2      SER   3  21.415   3.415   0.169
   21   2HB   SER   3           HB1      SER   3  21.528   4.711  -1.040
   22    HG   SER   3           HG1      SER   3  23.502   4.589  -0.014
   23    H    LEU   4           HN       LEU   4  20.697   7.538  -0.344
   24    HA   LEU   4           HA       LEU   4  17.952   7.755  -1.254
   25   1HB   LEU   4           HB2      LEU   4  18.933   9.718  -2.587
   26   2HB   LEU   4           HB1      LEU   4  19.066   9.807  -0.834
   27    HG   LEU   4           HG       LEU   4  21.303   8.383  -2.125
   28   1HD1  LEU   4          HD13      LEU   4  20.686  11.280  -2.751
   29   2HD1  LEU   4          HD12      LEU   4  22.328  10.648  -2.799
   30   3HD1  LEU   4          HD11      LEU   4  21.100   9.993  -3.878
   31   1HD2  LEU   4          HD22      LEU   4  21.029   9.204   0.306
   32   2HD2  LEU   4          HD21      LEU   4  22.565   9.561  -0.478
   33   3HD2  LEU   4          HD23      LEU   4  21.340  10.817  -0.327
   34    H    GLU   5           HN       GLU   5  19.984   5.572  -2.201
   35    HA   GLU   5           HA       GLU   5  19.239   5.775  -5.096
   36   1HB   GLU   5           HB2      GLU   5  21.820   4.734  -3.903
   37   2HB   GLU   5           HB1      GLU   5  21.378   4.589  -5.600
   38   1HG   GLU   5           HG2      GLU   5  21.518   6.912  -5.966
   39   2HG   GLU   5           HG1      GLU   5  21.336   7.287  -4.255
   40    H    GLU   6           HN       GLU   6  19.821   3.733  -2.307
   41    HA   GLU   6           HA       GLU   6  19.077   1.276  -3.705
   42   1HB   GLU   6           HB2      GLU   6  19.624   1.983  -0.827
   43   2HB   GLU   6           HB1      GLU   6  19.002   0.399  -1.274
   44   1HG   GLU   6           HG2      GLU   6  20.913   0.047  -2.784
   45   2HG   GLU   6           HG1      GLU   6  21.521   1.659  -2.414
   46    H    GLN   7           HN       GLN   7  17.014   2.184  -4.529
   47    HA   GLN   7           HA       GLN   7  14.862   2.688  -2.625
   48   1HB   GLN   7           HB2      GLN   7  13.447   2.523  -4.771
   49   2HB   GLN   7           HB1      GLN   7  14.637   3.818  -4.694
   50   1HG   GLN   7           HG2      GLN   7  16.176   2.620  -6.082
   51   2HG   GLN   7           HG1      GLN   7  15.276   1.115  -5.904
   52   1HE2  GLN   7          HE22      GLN   7  14.394   3.458  -8.979
   53   2HE2  GLN   7          HE21      GLN   7  15.850   3.503  -8.108
   54    H    ASN   8           HN       ASN   8  16.007   0.258  -2.015
   55    HA   ASN   8           HA       ASN   8  14.387  -1.885  -3.206
   56   1HB   ASN   8           HB2      ASN   8  16.442  -1.846  -0.984
   57   2HB   ASN   8           HB1      ASN   8  15.596  -3.305  -1.491
   58   1HD2  ASN   8          HD22      ASN   8  18.327  -3.693  -3.733
   59   2HD2  ASN   8          HD21      ASN   8  17.618  -4.244  -2.292
   60    H    ASN   9           HN       ASN   9  12.343  -0.806  -2.531
   61    HA   ASN   9           HA       ASN   9  10.480  -0.670  -1.105
   62   1HB   ASN   9           HB2      ASN   9  11.756  -3.234  -0.682
   63   2HB   ASN   9           HB1      ASN   9  10.979  -2.677   0.798
   64   1HD2  ASN   9          HD22      ASN   9   8.668  -4.246  -1.992
   65   2HD2  ASN   9          HD21      ASN   9  10.329  -4.542  -1.803
   66    H    ASP  10           HN       ASP  10  10.658   1.220  -0.007
   67    HA   ASP  10           HA       ASP  10  11.952   1.089   2.687
   68   1HB   ASP  10           HB2      ASP  10  12.092   3.363   0.690
   69   2HB   ASP  10           HB1      ASP  10  12.625   3.482   2.365
   70    H    ALA  11           HN       ALA  11   9.196   1.545   0.932
   71    HA   ALA  11           HA       ALA  11   7.643   2.375   3.208
   72   1HB   ALA  11           HB1      ALA  11   8.742   4.557   2.506
   73   2HB   ALA  11           HB3      ALA  11   7.839   4.438   1.002
   74   3HB   ALA  11           HB2      ALA  11   6.981   4.587   2.533
   75    H    LEU  12           HN       LEU  12   7.276   3.223  -0.211
   76    HA   LEU  12           HA       LEU  12   4.811   1.552  -0.294
   77   1HB   LEU  12           HB2      LEU  12   5.719   3.467  -2.439
   78   2HB   LEU  12           HB1      LEU  12   4.087   2.905  -2.095
   79    HG   LEU  12           HG       LEU  12   5.769   4.743  -0.356
   80   1HD1  LEU  12          HD12      LEU  12   4.658   5.728  -2.397
   81   2HD1  LEU  12          HD11      LEU  12   3.109   5.199  -1.750
   82   3HD1  LEU  12          HD13      LEU  12   4.062   6.398  -0.883
   83   1HD2  LEU  12          HD21      LEU  12   3.215   3.230   0.125
   84   2HD2  LEU  12          HD23      LEU  12   4.552   3.531   1.231
   85   3HD2  LEU  12          HD22      LEU  12   3.415   4.822   0.851
   86    H    SER  13           HN       SER  13   4.471   0.656  -2.672
   87    HA   SER  13           HA       SER  13   7.010  -0.324  -3.808
   88   1HB   SER  13           HB2      SER  13   5.246  -2.593  -3.615
   89   2HB   SER  13           HB1      SER  13   6.857  -2.395  -2.894
   90    HG   SER  13           HG1      SER  13   5.913  -1.251  -1.201
   91    HA   PRO  14           HA       PRO  14   4.922  -0.110  -7.677
   92   1HB   PRO  14           HB2      PRO  14   5.598  -2.670  -8.723
   93   2HB   PRO  14           HB1      PRO  14   6.427  -1.141  -9.019
   94   1HG   PRO  14           HG2      PRO  14   7.290  -3.385  -7.343
   95   2HG   PRO  14           HG1      PRO  14   8.207  -1.951  -7.811
   96   1HD   PRO  14           HD1      PRO  14   7.110  -2.506  -5.236
   97   2HD   PRO  14           HD2      PRO  14   7.854  -0.992  -5.777
   98    H    ALA  15           HN       ALA  15   4.500  -3.054  -5.818
   99    HA   ALA  15           HA       ALA  15   2.128  -3.925  -7.266
  100   1HB   ALA  15           HB2      ALA  15   3.673  -5.460  -6.009
  101   2HB   ALA  15           HB1      ALA  15   3.048  -4.774  -4.512
  102   3HB   ALA  15           HB3      ALA  15   1.973  -5.657  -5.591
  103    H    ILE  16           HN       ILE  16   2.397  -1.221  -5.655
  104    HA   ILE  16           HA       ILE  16   0.160  -1.467  -3.772
  105    HB   ILE  16           HB       ILE  16   2.049   0.135  -3.411
  106   1HG1  ILE  16          HG12      ILE  16  -0.700   1.392  -3.732
  107   2HG1  ILE  16          HG11      ILE  16  -0.148   0.491  -2.324
  108   1HG2  ILE  16          HG22      ILE  16   2.065   0.725  -5.944
  109   2HG2  ILE  16          HG21      ILE  16   0.771   1.849  -5.538
  110   3HG2  ILE  16          HG23      ILE  16   2.357   2.025  -4.792
  111   1HD1  ILE  16           HD1      ILE  16   1.852   2.245  -2.408
  112   2HD1  ILE  16           HD3      ILE  16   0.665   3.218  -3.270
  113   3HD1  ILE  16           HD2      ILE  16   0.327   2.662  -1.635
  114    NH1  ARG  17           NH2      ARG  17  -4.024   3.957  -6.905
  115    NH2  ARG  17           NH1      ARG  17  -4.712   4.047  -9.081
  116    H    ARG  17           HN       ARG  17   0.690   0.105  -6.917
  117    HA   ARG  17           HA       ARG  17  -2.036   1.016  -7.172
  118   1HB   ARG  17           HB2      ARG  17   0.265   0.662  -9.079
  119   2HB   ARG  17           HB1      ARG  17  -1.336   1.056  -9.694
  120   1HG   ARG  17           HG2      ARG  17  -0.415   2.680  -7.381
  121   2HG   ARG  17           HG1      ARG  17   0.456   2.938  -8.888
  122   1HD   ARG  17           HD2      ARG  17  -1.553   4.434  -8.637
  123   2HD   ARG  17           HD1      ARG  17  -1.628   3.410 -10.069
  124    HE   ARG  17           HE       ARG  17  -3.021   1.855  -8.440
  125   1HH1  ARG  17          HH21      ARG  17  -3.377   3.611  -6.225
  126   2HH1  ARG  17          HH22      ARG  17  -4.768   4.563  -6.623
  127   1HH2  ARG  17          HH11      ARG  17  -4.583   3.768 -10.033
  128   2HH2  ARG  17          HH12      ARG  17  -5.468   4.655  -8.837
  129    NH1  ARG  18           NH2      ARG  18   0.350  -4.010 -13.931
  130    NH2  ARG  18           NH1      ARG  18  -1.666  -3.747 -14.973
  131    H    ARG  18           HN       ARG  18  -0.474  -1.998  -7.609
  132    HA   ARG  18           HA       ARG  18  -2.748  -3.075  -9.197
  133   1HB   ARG  18           HB2      ARG  18  -0.011  -4.160  -8.520
  134   2HB   ARG  18           HB1      ARG  18  -1.256  -5.142  -9.284
  135   1HG   ARG  18           HG2      ARG  18  -0.751  -2.468 -10.495
  136   2HG   ARG  18           HG1      ARG  18   0.512  -3.675 -10.709
  137   1HD   ARG  18           HD2      ARG  18  -0.911  -5.141 -11.879
  138   2HD   ARG  18           HD1      ARG  18  -2.369  -4.398 -11.224
  139    HE   ARG  18           HE       ARG  18  -1.894  -2.440 -12.714
  140   1HH1  ARG  18          HH21      ARG  18   0.895  -3.957 -13.093
  141   2HH1  ARG  18          HH22      ARG  18   0.775  -4.306 -14.786
  142   1HH2  ARG  18          HH11      ARG  18  -2.632  -3.496 -14.918
  143   2HH2  ARG  18          HH12      ARG  18  -1.275  -4.038 -15.846
  144    H    LEU  19           HN       LEU  19  -1.563  -2.898  -6.010
  145    HA   LEU  19           HA       LEU  19  -2.254  -5.294  -4.790
  146   1HB   LEU  19           HB2      LEU  19  -1.393  -3.206  -3.650
  147   2HB   LEU  19           HB1      LEU  19  -3.033  -2.583  -3.683
  148    HG   LEU  19           HG       LEU  19  -3.490  -5.042  -2.614
  149   1HD1  LEU  19          HD13      LEU  19  -0.979  -5.460  -2.685
  150   2HD1  LEU  19          HD12      LEU  19  -0.813  -4.191  -1.475
  151   3HD1  LEU  19          HD11      LEU  19  -1.719  -5.654  -1.098
  152   1HD2  LEU  19          HD22      LEU  19  -2.595  -2.540  -1.145
  153   2HD2  LEU  19          HD21      LEU  19  -4.239  -2.916  -1.651
  154   3HD2  LEU  19          HD23      LEU  19  -3.460  -3.881  -0.401
  155    H    LEU  20           HN       LEU  20  -4.371  -2.891  -6.161
  156    HA   LEU  20           HA       LEU  20  -6.826  -3.852  -5.001
  157   1HB   LEU  20           HB2      LEU  20  -6.077  -2.090  -7.291
  158   2HB   LEU  20           HB1      LEU  20  -7.712  -2.739  -7.266
  159    HG   LEU  20           HG       LEU  20  -6.612  -1.543  -4.740
  160   1HD1  LEU  20          HD11      LEU  20  -7.450  -0.053  -7.231
  161   2HD1  LEU  20          HD13      LEU  20  -7.679   0.657  -5.636
  162   3HD1  LEU  20          HD12      LEU  20  -6.061   0.244  -6.191
  163   1HD2  LEU  20          HD21      LEU  20  -9.348  -1.566  -6.067
  164   2HD2  LEU  20          HD23      LEU  20  -8.831  -2.656  -4.786
  165   3HD2  LEU  20          HD22      LEU  20  -8.997  -0.933  -4.462
  166    H    ALA  21           HN       ALA  21  -5.537  -4.262  -8.298
  167    HA   ALA  21           HA       ALA  21  -7.430  -6.243  -9.085
  168   1HB   ALA  21           HB3      ALA  21  -4.682  -5.498 -10.062
  169   2HB   ALA  21           HB2      ALA  21  -5.556  -6.851 -10.773
  170   3HB   ALA  21           HB1      ALA  21  -6.237  -5.229 -10.844
  171    H    GLU  22           HN       GLU  22  -4.336  -6.479  -7.442
  172    HA   GLU  22           HA       GLU  22  -3.818  -9.229  -7.669
  173   1HB   GLU  22           HB2      GLU  22  -2.593  -7.260  -6.354
  174   2HB   GLU  22           HB1      GLU  22  -3.459  -7.961  -4.990
  175   1HG   GLU  22           HG2      GLU  22  -1.617  -9.461  -6.886
  176   2HG   GLU  22           HG1      GLU  22  -1.249  -9.024  -5.220
  177    H    HIS  23           HN       HIS  23  -6.041  -7.549  -5.510
  178    HA   HIS  23           HA       HIS  23  -6.958 -10.161  -4.417
  179   1HB   HIS  23           HB2      HIS  23  -7.780  -7.365  -3.588
  180   2HB   HIS  23           HB1      HIS  23  -8.090  -8.862  -2.711
  181    HD1  HIS  23           HD1      HIS  23  -5.522 -10.123  -2.507
  182    HD2  HIS  23           HD2      HIS  23  -5.717  -6.072  -2.367
  183    HE1  HIS  23           HE1      HIS  23  -3.466  -9.437  -1.415
  184    H    ASN  24           HN       ASN  24  -7.618  -8.272  -6.995
  185    HA   ASN  24           HA       ASN  24  -9.480  -8.046  -8.411
  186   1HB   ASN  24           HB2      ASN  24  -9.297 -10.568  -8.169
  187   2HB   ASN  24           HB1      ASN  24 -10.552 -10.459  -6.937
  188   1HD2  ASN  24          HD22      ASN  24 -11.739  -9.089 -10.622
  189   2HD2  ASN  24          HD21      ASN  24 -10.273  -8.547  -9.959
  190    H    LEU  25           HN       LEU  25  -9.832  -6.120  -6.882
  191    HA   LEU  25           HA       LEU  25 -12.630  -6.297  -5.881
  192   1HB   LEU  25           HB2      LEU  25 -10.196  -5.578  -4.314
  193   2HB   LEU  25           HB1      LEU  25 -11.667  -4.665  -4.001
  194    HG   LEU  25           HG       LEU  25 -11.816  -7.664  -4.153
  195   1HD1  LEU  25          HD11      LEU  25 -10.700  -5.996  -1.893
  196   2HD1  LEU  25          HD13      LEU  25 -11.483  -7.542  -1.584
  197   3HD1  LEU  25          HD12      LEU  25 -10.039  -7.472  -2.588
  198   1HD2  LEU  25          HD23      LEU  25 -13.725  -5.806  -3.857
  199   2HD2  LEU  25          HD22      LEU  25 -13.820  -7.357  -3.027
  200   3HD2  LEU  25          HD21      LEU  25 -13.239  -5.933  -2.170
  201    H    ASP  26           HN       ASP  26 -13.787  -4.364  -6.024
  202    HA   ASP  26           HA       ASP  26 -12.651  -2.417  -7.923
  203   1HB   ASP  26           HB2      ASP  26 -15.366  -2.098  -6.702
  204   2HB   ASP  26           HB1      ASP  26 -14.839  -1.769  -8.350
  205    H    ALA  27           HN       ALA  27 -11.553  -0.709  -7.204
  206    HA   ALA  27           HA       ALA  27 -11.417   0.095  -4.472
  207   1HB   ALA  27           HB2      ALA  27 -10.025   0.715  -6.754
  208   2HB   ALA  27           HB1      ALA  27 -10.891   2.216  -6.445
  209   3HB   ALA  27           HB3      ALA  27  -9.830   1.542  -5.212
  210    H    SER  28           HN       SER  28 -13.821   0.609  -6.800
  211    HA   SER  28           HA       SER  28 -14.837   3.160  -6.265
  212   1HB   SER  28           HB2      SER  28 -16.178   0.545  -6.934
  213   2HB   SER  28           HB1      SER  28 -17.144   2.004  -6.642
  214    HG   SER  28           HG1      SER  28 -16.602   2.361  -8.671
  215    H    ALA  29           HN       ALA  29 -15.076   0.245  -4.322
  216    HA   ALA  29           HA       ALA  29 -16.845   1.562  -2.368
  217   1HB   ALA  29           HB3      ALA  29 -16.583  -1.035  -3.101
  218   2HB   ALA  29           HB2      ALA  29 -15.544  -1.011  -1.679
  219   3HB   ALA  29           HB1      ALA  29 -17.234  -0.534  -1.543
  220    H    ILE  30           HN       ILE  30 -13.497   1.140  -2.916
  221    HA   ILE  30           HA       ILE  30 -12.818   1.691  -0.080
  222    HB   ILE  30           HB       ILE  30 -10.992   1.215  -2.454
  223   1HG1  ILE  30          HG12      ILE  30 -12.354  -0.772  -2.061
  224   2HG1  ILE  30          HG11      ILE  30 -10.734  -1.084  -1.461
  225   1HG2  ILE  30          HG22      ILE  30 -10.554   1.832   0.412
  226   2HG2  ILE  30          HG21      ILE  30  -9.591   0.501  -0.215
  227   3HG2  ILE  30          HG23      ILE  30  -9.493   2.088  -0.966
  228   1HD1  ILE  30           HD3      ILE  30 -11.727  -0.180   0.825
  229   2HD1  ILE  30           HD2      ILE  30 -13.266  -0.607   0.087
  230   3HD1  ILE  30           HD1      ILE  30 -12.032  -1.837   0.326
  231    H    LYS  31           HN       LYS  31 -13.587   3.838   0.035
  232    HA   LYS  31           HA       LYS  31 -12.832   5.904  -1.804
  233   1HB   LYS  31           HB2      LYS  31 -14.192   5.708   0.767
  234   2HB   LYS  31           HB1      LYS  31 -13.194   7.153   0.658
  235   1HG   LYS  31           HG2      LYS  31 -14.286   7.824  -1.406
  236   2HG   LYS  31           HG1      LYS  31 -15.168   6.303  -1.484
  237   1HD   LYS  31           HD2      LYS  31 -16.221   6.898   0.740
  238   2HD   LYS  31           HD1      LYS  31 -15.475   8.487   0.600
  239   1HE   LYS  31           HE2      LYS  31 -17.854   7.442  -0.730
  240   2HE   LYS  31           HE1      LYS  31 -17.302   9.107  -0.585
  241   1HZ   LYS  31           HZ1      LYS  31 -15.727   8.656  -2.400
  242   2HZ   LYS  31           HZ3      LYS  31 -16.402   7.109  -2.582
  243   3HZ   LYS  31           HZ2      LYS  31 -17.349   8.488  -2.874
  244    H    GLY  32           HN       GLY  32 -10.798   6.514  -2.190
  245   1HA   GLY  32           HA2      GLY  32  -8.620   5.996  -0.370
  246   2HA   GLY  32           HA1      GLY  32  -8.521   6.981  -1.828
  247    H    THR  33           HN       THR  33  -7.343   7.519   0.768
  248    HA   THR  33           HA       THR  33  -8.608  10.178   1.257
  249    HB   THR  33           HB       THR  33  -7.998   9.756   3.766
  250    HG1  THR  33           HG1      THR  33  -6.843   7.916   3.625
  251   1HG2  THR  33          HG21      THR  33 -10.290   8.824   2.191
  252   2HG2  THR  33          HG23      THR  33 -10.004   7.800   3.594
  253   3HG2  THR  33          HG22      THR  33 -10.278   9.527   3.805
  254    H    GLY  34           HN       GLY  34  -5.947   8.570   2.923
  255   1HA   GLY  34           HA2      GLY  34  -3.742   9.324   3.265
  256   2HA   GLY  34           HA1      GLY  34  -3.744   9.519   1.514
  257    H    VAL  35           HN       VAL  35  -2.207  11.291   2.405
  258    HA   VAL  35           HA       VAL  35  -3.532  13.676   3.464
  259    HB   VAL  35           HB       VAL  35  -0.771  13.604   2.258
  260   1HG1  VAL  35          HG13      VAL  35  -1.760  15.771   3.019
  261   2HG1  VAL  35          HG12      VAL  35  -1.973  15.081   4.626
  262   3HG1  VAL  35          HG11      VAL  35  -0.354  15.310   3.973
  263   1HG2  VAL  35          HG21      VAL  35  -1.821  12.195   4.652
  264   2HG2  VAL  35          HG23      VAL  35  -0.389  11.851   3.688
  265   3HG2  VAL  35          HG22      VAL  35  -0.346  13.121   4.906
  266    H    GLY  36           HN       GLY  36  -5.106  13.618   1.585
  267   1HA   GLY  36           HA2      GLY  36  -5.159  15.716  -0.041
  268   2HA   GLY  36           HA1      GLY  36  -3.969  14.754  -0.914
  269    H    GLY  37           HN       GLY  37  -4.796  12.321  -1.065
  270   1HA   GLY  37           HA2      GLY  37  -7.415  11.506  -1.183
  271   2HA   GLY  37           HA1      GLY  37  -7.257  12.483  -2.641
  272    NH1  ARG  38           NH2      ARG  38  -0.420   9.207  -0.393
  273    NH2  ARG  38           NH1      ARG  38  -1.041  10.924   0.980
  274    H    ARG  38           HN       ARG  38  -4.678  10.550  -1.249
  275    HA   ARG  38           HA       ARG  38  -4.616   8.955  -3.765
  276   1HB   ARG  38           HB2      ARG  38  -2.494   9.045  -1.617
  277   2HB   ARG  38           HB1      ARG  38  -2.318   8.519  -3.287
  278   1HG   ARG  38           HG2      ARG  38  -1.574  10.649  -3.641
  279   2HG   ARG  38           HG1      ARG  38  -3.286  11.060  -3.637
  280   1HD   ARG  38           HD2      ARG  38  -2.346  12.551  -2.049
  281   2HD   ARG  38           HD1      ARG  38  -3.015  11.259  -1.055
  282    HE   ARG  38           HE       ARG  38  -0.120  11.634  -1.652
  283   1HH1  ARG  38          HH21      ARG  38  -0.236   8.874  -1.317
  284   2HH1  ARG  38          HH22      ARG  38  -0.320   8.592   0.389
  285   1HH2  ARG  38          HH11      ARG  38  -1.321  11.878   1.086
  286   2HH2  ARG  38          HH12      ARG  38  -0.951  10.337   1.786
  287    H    LEU  39           HN       LEU  39  -4.806   6.754  -3.759
  288    HA   LEU  39           HA       LEU  39  -6.161   5.511  -1.557
  289   1HB   LEU  39           HB2      LEU  39  -6.546   4.645  -3.765
  290   2HB   LEU  39           HB1      LEU  39  -4.827   4.388  -4.031
  291    HG   LEU  39           HG       LEU  39  -4.764   2.588  -2.410
  292   1HD1  LEU  39          HD11      LEU  39  -7.520   3.612  -1.707
  293   2HD1  LEU  39          HD13      LEU  39  -7.038   1.969  -1.306
  294   3HD1  LEU  39          HD12      LEU  39  -6.153   3.334  -0.634
  295   1HD2  LEU  39          HD21      LEU  39  -5.670   2.012  -4.646
  296   2HD2  LEU  39          HD23      LEU  39  -6.397   1.017  -3.387
  297   3HD2  LEU  39          HD22      LEU  39  -7.297   2.366  -4.073
  298    H    THR  40           HN       THR  40  -5.130   5.294   0.348
  299    HA   THR  40           HA       THR  40  -2.272   4.724   0.505
  300    HB   THR  40           HB       THR  40  -2.520   5.080   2.834
  301    HG1  THR  40           HG1      THR  40  -5.186   4.165   2.409
  302   1HG2  THR  40          HG23      THR  40  -3.637   7.003   1.489
  303   2HG2  THR  40          HG22      THR  40  -5.166   6.236   1.906
  304   3HG2  THR  40          HG21      THR  40  -4.112   6.847   3.177
  305    NH1  ARG  41           NH2      ARG  41  -0.637  -4.729   1.295
  306    NH2  ARG  41           NH1      ARG  41   0.438  -4.246   3.253
  307    H    ARG  41           HN       ARG  41  -1.686   2.873   2.160
  308    HA   ARG  41           HA       ARG  41  -2.762   0.395   0.955
  309   1HB   ARG  41           HB2      ARG  41  -0.268   0.872   1.268
  310   2HB   ARG  41           HB1      ARG  41  -0.538   0.611   2.987
  311   1HG   ARG  41           HG2      ARG  41  -1.492  -1.636   2.465
  312   2HG   ARG  41           HG1      ARG  41  -1.124  -1.374   0.764
  313   1HD   ARG  41           HD2      ARG  41   1.305  -0.942   1.541
  314   2HD   ARG  41           HD1      ARG  41   0.811  -1.660   3.072
  315    HE   ARG  41           HE       ARG  41   1.307  -3.110   0.619
  316   1HH1  ARG  41          HH21      ARG  41  -0.809  -4.508   0.336
  317   2HH1  ARG  41          HH22      ARG  41  -1.094  -5.513   1.717
  318   1HH2  ARG  41          HH11      ARG  41   1.072  -3.663   3.761
  319   2HH2  ARG  41          HH12      ARG  41  -0.001  -5.021   3.708
  320    H    GLU  42           HN       GLU  42  -3.039   2.244   3.822
  321    HA   GLU  42           HA       GLU  42  -3.822   0.050   5.571
  322   1HB   GLU  42           HB2      GLU  42  -4.261   3.034   5.847
  323   2HB   GLU  42           HB1      GLU  42  -4.497   1.847   7.125
  324   1HG   GLU  42           HG2      GLU  42  -2.277   1.788   7.575
  325   2HG   GLU  42           HG1      GLU  42  -1.881   1.541   5.876
  326    H    ASP  43           HN       ASP  43  -5.383   1.945   3.182
  327    HA   ASP  43           HA       ASP  43  -8.083   1.713   4.212
  328   1HB   ASP  43           HB2      ASP  43  -6.953   2.345   1.482
  329   2HB   ASP  43           HB1      ASP  43  -8.686   2.271   1.789
  330    H    VAL  44           HN       VAL  44  -6.561   0.161   1.386
  331    HA   VAL  44           HA       VAL  44  -8.572  -1.786   0.971
  332    HB   VAL  44           HB       VAL  44  -5.643  -2.322   0.482
  333   1HG1  VAL  44          HG11      VAL  44  -7.753  -3.885  -0.033
  334   2HG1  VAL  44          HG13      VAL  44  -7.874  -2.843  -1.446
  335   3HG1  VAL  44          HG12      VAL  44  -6.406  -3.772  -1.161
  336   1HG2  VAL  44          HG21      VAL  44  -7.513  -0.380  -0.886
  337   2HG2  VAL  44          HG23      VAL  44  -5.866  -0.099  -0.328
  338   3HG2  VAL  44          HG22      VAL  44  -6.158  -1.102  -1.746
  339    H    GLU  45           HN       GLU  45  -5.982  -1.664   3.289
  340    HA   GLU  45           HA       GLU  45  -5.974  -4.460   3.990
  341   1HB   GLU  45           HB2      GLU  45  -5.029  -1.946   5.338
  342   2HB   GLU  45           HB1      GLU  45  -5.000  -3.479   6.200
  343   1HG   GLU  45           HG2      GLU  45  -3.895  -3.470   3.427
  344   2HG   GLU  45           HG1      GLU  45  -2.939  -2.667   4.669
  345    H    LYS  46           HN       LYS  46  -7.556  -1.631   5.449
  346    HA   LYS  46           HA       LYS  46  -8.985  -3.254   7.400
  347   1HB   LYS  46           HB2      LYS  46  -8.342  -0.643   7.338
  348   2HB   LYS  46           HB1      LYS  46  -9.976  -0.537   6.691
  349   1HG   LYS  46           HG2      LYS  46 -10.624  -2.088   8.685
  350   2HG   LYS  46           HG1      LYS  46  -9.077  -1.601   9.369
  351   1HD   LYS  46           HD2      LYS  46  -9.758   0.797   9.075
  352   2HD   LYS  46           HD1      LYS  46 -11.338   0.245   8.529
  353   1HE   LYS  46           HE2      LYS  46 -10.140  -0.543  11.200
  354   2HE   LYS  46           HE1      LYS  46 -11.212   0.837  10.998
  355   1HZ   LYS  46           HZ3      LYS  46 -12.394  -1.357   9.747
  356   2HZ   LYS  46           HZ2      LYS  46 -11.886  -1.862  11.287
  357   3HZ   LYS  46           HZ1      LYS  46 -12.921  -0.526  11.131
  358    H    HIS  47           HN       HIS  47  -9.399  -4.273   4.842
  359    HA   HIS  47           HA       HIS  47 -12.336  -4.065   4.679
  360   1HB   HIS  47           HB2      HIS  47 -11.391  -2.301   3.145
  361   2HB   HIS  47           HB1      HIS  47 -10.629  -3.595   2.224
  362    HD1  HIS  47           HD1      HIS  47 -13.903  -2.148   2.884
  363    HD2  HIS  47           HD2      HIS  47 -12.399  -5.264   0.765
  364    HE1  HIS  47           HE1      HIS  47 -15.720  -2.857   1.442
  365    H    LEU  48           HN       LEU  48  -9.354  -5.491   3.441
  366    HA   LEU  48           HA       LEU  48 -10.471  -7.726   2.099
  367   1HB   LEU  48           HB2      LEU  48  -7.849  -7.371   3.559
  368   2HB   LEU  48           HB1      LEU  48  -8.243  -8.831   2.659
  369    HG   LEU  48           HG       LEU  48  -8.660  -6.218   1.271
  370   1HD1  LEU  48          HD13      LEU  48  -5.993  -7.376   2.067
  371   2HD1  LEU  48          HD12      LEU  48  -6.156  -6.507   0.544
  372   3HD1  LEU  48          HD11      LEU  48  -6.507  -5.692   2.065
  373   1HD2  LEU  48          HD21      LEU  48  -9.189  -8.433   0.242
  374   2HD2  LEU  48          HD23      LEU  48  -7.948  -7.564  -0.654
  375   3HD2  LEU  48          HD22      LEU  48  -7.497  -8.889   0.413
  376    H    ALA  49           HN       ALA  49 -10.843  -9.870   2.771
  377    HA   ALA  49           HA       ALA  49 -11.636 -10.085   5.623
  378   1HB   ALA  49           HB1      ALA  49 -12.187 -11.920   3.274
  379   2HB   ALA  49           HB3      ALA  49 -12.853 -12.110   4.892
  380   3HB   ALA  49           HB2      ALA  49 -13.298 -10.714   3.915
  381    H    LYS  50           HN       LYS  50 -11.294 -13.135   4.517
  382    HA   LYS  50           HA       LYS  50  -8.804 -13.519   6.057
  383   1HB   LYS  50           HB2      LYS  50 -10.991 -15.282   5.041
  384   2HB   LYS  50           HB1      LYS  50  -9.418 -16.009   5.340
  385   1HG   LYS  50           HG2      LYS  50 -10.575 -14.197   7.435
  386   2HG   LYS  50           HG1      LYS  50 -11.227 -15.824   7.288
  387   1HD   LYS  50           HD2      LYS  50  -8.915 -16.744   7.486
  388   2HD   LYS  50           HD1      LYS  50  -8.303 -15.108   7.706
  389   1HE   LYS  50           HE2      LYS  50  -8.625 -15.548   9.926
  390   2HE   LYS  50           HE1      LYS  50 -10.304 -15.162   9.568
  391   1HZ   LYS  50           HZ2      LYS  50  -9.324 -17.903   9.165
  392   2HZ   LYS  50           HZ1      LYS  50  -9.715 -17.373  10.730
  393   3HZ   LYS  50           HZ3      LYS  50 -10.897 -17.360   9.509
  394    H    ALA  51           HN       ALA  51  -6.918 -14.413   5.212
  395    HA   ALA  51           HA       ALA  51  -6.785 -15.071   2.345
  396   1HB   ALA  51           HB1      ALA  51  -6.536 -12.614   2.362
  397   2HB   ALA  51           HB3      ALA  51  -5.195 -12.761   3.492
  398   3HB   ALA  51           HB2      ALA  51  -5.044 -13.399   1.858
   
 Raw file had 398 H/Q atoms
  Start of MODEL   52
    1    OH   TYR   1           OH       TYR   1  28.735  -4.279  -7.129
    2   1H    TYR   1           HT2      TYR   1  26.128   0.861  -7.009
    3   2H    TYR   1           HT1      TYR   1  26.827  -0.087  -8.232
    4   3H    TYR   1           HT3      TYR   1  26.685   1.593  -8.437
    5    HA   TYR   1           HA       TYR   1  24.971   0.704  -9.720
    6   1HB   TYR   1           HB2      TYR   1  23.679  -0.830  -7.548
    7   2HB   TYR   1           HB1      TYR   1  23.855  -1.231  -9.255
    8    HD1  TYR   1           HD1      TYR   1  25.550  -1.278  -5.970
    9    HD2  TYR   1           HD2      TYR   1  25.784  -2.468 -10.047
   10    HE1  TYR   1           HE1      TYR   1  27.432  -2.754  -5.432
   11    HE2  TYR   1           HE2      TYR   1  27.666  -3.945  -9.508
   12    HH   TYR   1           HH       TYR   1  29.187  -4.494  -7.949
   13    H    ALA   2           HN       ALA   2  25.258   2.129  -6.721
   14    HA   ALA   2           HA       ALA   2  22.450   3.140  -6.733
   15   1HB   ALA   2           HB3      ALA   2  24.473   2.649  -4.653
   16   2HB   ALA   2           HB2      ALA   2  23.609   4.173  -4.473
   17   3HB   ALA   2           HB1      ALA   2  22.717   2.656  -4.530
   18    H    SER   3           HN       SER   3  22.060   5.122  -7.494
   19    HA   SER   3           HA       SER   3  24.102   7.237  -7.225
   20   1HB   SER   3           HB2      SER   3  23.044   6.328  -9.917
   21   2HB   SER   3           HB1      SER   3  24.004   7.795  -9.650
   22    HG   SER   3           HG1      SER   3  24.724   5.101  -9.397
   23    H    LEU   4           HN       LEU   4  21.859   7.672  -9.708
   24    HA   LEU   4           HA       LEU   4  20.611   9.940  -8.775
   25   1HB   LEU   4           HB2      LEU   4  20.244   8.987 -11.027
   26   2HB   LEU   4           HB1      LEU   4  19.247   7.719 -10.320
   27    HG   LEU   4           HG       LEU   4  18.372  10.315  -9.375
   28   1HD1  LEU   4          HD12      LEU   4  19.332  11.112 -11.522
   29   2HD1  LEU   4          HD11      LEU   4  18.397   9.896 -12.385
   30   3HD1  LEU   4          HD13      LEU   4  17.575  11.202 -11.540
   31   1HD2  LEU   4          HD21      LEU   4  17.082   8.160  -9.423
   32   2HD2  LEU   4          HD23      LEU   4  16.222   9.488 -10.196
   33   3HD2  LEU   4          HD22      LEU   4  17.031   8.271 -11.179
   34    H    GLU   5           HN       GLU   5  19.042  10.461  -7.365
   35    HA   GLU   5           HA       GLU   5  18.459   9.062  -5.074
   36   1HB   GLU   5           HB2      GLU   5  16.468  10.769  -6.590
   37   2HB   GLU   5           HB1      GLU   5  16.390  10.378  -4.876
   38   1HG   GLU   5           HG2      GLU   5  18.732  11.806  -6.180
   39   2HG   GLU   5           HG1      GLU   5  17.418  12.633  -5.346
   40    H    GLU   6           HN       GLU   6  18.213   6.849  -5.396
   41    HA   GLU   6           HA       GLU   6  16.380   5.635  -7.210
   42   1HB   GLU   6           HB2      GLU   6  18.205   4.778  -5.224
   43   2HB   GLU   6           HB1      GLU   6  16.651   4.059  -4.819
   44   1HG   GLU   6           HG2      GLU   6  16.445   3.249  -7.175
   45   2HG   GLU   6           HG1      GLU   6  18.046   3.903  -7.514
   46    H    GLN   7           HN       GLN   7  14.660   4.036  -6.020
   47    HA   GLN   7           HA       GLN   7  12.508   5.777  -5.224
   48   1HB   GLN   7           HB2      GLN   7  11.485   3.434  -4.568
   49   2HB   GLN   7           HB1      GLN   7  11.721   3.859  -6.260
   50   1HG   GLN   7           HG2      GLN   7  13.583   2.471  -6.488
   51   2HG   GLN   7           HG1      GLN   7  13.982   2.554  -4.774
   52   1HE2  GLN   7          HE22      GLN   7  10.867   0.077  -5.848
   53   2HE2  GLN   7          HE21      GLN   7  11.093   1.533  -6.691
   54    H    ASN   8           HN       ASN   8  12.964   2.949  -3.326
   55    HA   ASN   8           HA       ASN   8  13.426   2.654  -1.027
   56   1HB   ASN   8           HB2      ASN   8  15.109   4.659  -1.647
   57   2HB   ASN   8           HB1      ASN   8  14.018   5.533  -0.575
   58   1HD2  ASN   8          HD22      ASN   8  16.107   2.344   0.987
   59   2HD2  ASN   8          HD21      ASN   8  15.688   2.331  -0.658
   60    H    ASN   9           HN       ASN   9  11.568   2.297   0.007
   61    HA   ASN   9           HA       ASN   9   9.988   4.641   0.910
   62   1HB   ASN   9           HB2      ASN   9   7.887   3.240   0.283
   63   2HB   ASN   9           HB1      ASN   9   8.718   4.111  -1.003
   64   1HD2  ASN   9          HD22      ASN   9   8.297   0.200  -1.411
   65   2HD2  ASN   9          HD21      ASN   9   7.332   1.195  -0.432
   66    H    ASP  10           HN       ASP  10   8.924   4.308   2.852
   67    HA   ASP  10           HA       ASP  10   9.747   1.859   4.312
   68   1HB   ASP  10           HB2      ASP  10   8.232   3.848   5.830
   69   2HB   ASP  10           HB1      ASP  10   9.833   3.185   6.144
   70    H    ALA  11           HN       ALA  11   7.561   1.910   2.295
   71    HA   ALA  11           HA       ALA  11   5.505   0.650   4.020
   72   1HB   ALA  11           HB2      ALA  11   4.867   3.063   3.637
   73   2HB   ALA  11           HB1      ALA  11   4.759   2.694   1.919
   74   3HB   ALA  11           HB3      ALA  11   3.682   1.896   3.060
   75    H    LEU  12           HN       LEU  12   3.593   0.167   2.116
   76    HA   LEU  12           HA       LEU  12   4.474  -2.133   0.808
   77   1HB   LEU  12           HB2      LEU  12   2.191  -0.268   0.433
   78   2HB   LEU  12           HB1      LEU  12   2.525  -1.378  -0.890
   79    HG   LEU  12           HG       LEU  12   2.441  -2.398   1.947
   80   1HD1  LEU  12          HD13      LEU  12   0.128  -1.681   0.146
   81   2HD1  LEU  12          HD12      LEU  12  -0.016  -3.001   1.299
   82   3HD1  LEU  12          HD11      LEU  12   0.315  -1.367   1.867
   83   1HD2  LEU  12          HD23      LEU  12   3.105  -3.592  -0.403
   84   2HD2  LEU  12          HD22      LEU  12   2.364  -4.462   0.937
   85   3HD2  LEU  12          HD21      LEU  12   1.369  -3.886  -0.397
   86    H    SER  13           HN       SER  13   4.339  -2.341  -1.721
   87    HA   SER  13           HA       SER  13   6.418  -0.514  -2.774
   88   1HB   SER  13           HB2      SER  13   5.793  -2.634  -4.606
   89   2HB   SER  13           HB1      SER  13   7.259  -2.446  -3.624
   90    HG   SER  13           HG1      SER  13   4.760  -3.463  -2.728
   91    HA   PRO  14           HA       PRO  14   3.921   1.642  -5.651
   92   1HB   PRO  14           HB2      PRO  14   5.217   0.762  -8.078
   93   2HB   PRO  14           HB1      PRO  14   5.343   2.327  -7.272
   94   1HG   PRO  14           HG2      PRO  14   7.318   0.210  -7.335
   95   2HG   PRO  14           HG1      PRO  14   7.446   1.776  -6.534
   96   1HD   PRO  14           HD1      PRO  14   7.119  -0.790  -5.294
   97   2HD   PRO  14           HD2      PRO  14   7.153   0.790  -4.496
   98    H    ALA  15           HN       ALA  15   4.574  -1.730  -6.265
   99    HA   ALA  15           HA       ALA  15   2.554  -2.205  -8.237
  100   1HB   ALA  15           HB2      ALA  15   4.435  -3.748  -6.802
  101   2HB   ALA  15           HB1      ALA  15   2.862  -4.464  -6.467
  102   3HB   ALA  15           HB3      ALA  15   3.411  -4.284  -8.131
  103    H    ILE  16           HN       ILE  16   2.270  -1.185  -5.089
  104    HA   ILE  16           HA       ILE  16   0.133  -2.572  -3.949
  105    HB   ILE  16           HB       ILE  16   1.333  -0.633  -2.910
  106   1HG1  ILE  16          HG12      ILE  16  -1.694  -0.369  -3.048
  107   2HG1  ILE  16          HG11      ILE  16  -0.821  -1.462  -1.981
  108   1HG2  ILE  16          HG23      ILE  16   1.034   0.735  -5.103
  109   2HG2  ILE  16          HG22      ILE  16  -0.557   1.132  -4.464
  110   3HG2  ILE  16          HG21      ILE  16   0.890   1.589  -3.571
  111   1HD1  ILE  16           HD2      ILE  16   0.438   0.754  -1.251
  112   2HD1  ILE  16           HD1      ILE  16  -1.011   1.533  -1.879
  113   3HD1  ILE  16           HD3      ILE  16  -1.137   0.368  -0.566
  114    NH1  ARG  17           NH2      ARG  17  -4.047   4.285  -6.908
  115    NH2  ARG  17           NH1      ARG  17  -3.116   6.035  -8.046
  116    H    ARG  17           HN       ARG  17   0.156  -0.592  -6.772
  117    HA   ARG  17           HA       ARG  17  -2.686  -0.051  -6.871
  118   1HB   ARG  17           HB2      ARG  17  -0.518  -0.044  -8.979
  119   2HB   ARG  17           HB1      ARG  17  -2.186   0.388  -9.329
  120   1HG   ARG  17           HG2      ARG  17  -1.165   1.737  -6.938
  121   2HG   ARG  17           HG1      ARG  17  -0.226   2.122  -8.376
  122   1HD   ARG  17           HD2      ARG  17  -2.293   2.739  -9.577
  123   2HD   ARG  17           HD1      ARG  17  -3.251   2.321  -8.158
  124    HE   ARG  17           HE       ARG  17  -1.151   4.384  -7.810
  125   1HH1  ARG  17          HH21      ARG  17  -3.990   3.333  -6.606
  126   2HH1  ARG  17          HH22      ARG  17  -4.838   4.842  -6.660
  127   1HH2  ARG  17          HH11      ARG  17  -2.362   6.395  -8.596
  128   2HH2  ARG  17          HH12      ARG  17  -3.893   6.621  -7.816
  129    NH1  ARG  18           NH1      ARG  18   0.474  -6.688 -12.649
  130    NH2  ARG  18           NH2      ARG  18   0.064  -5.313 -14.427
  131    H    ARG  18           HN       ARG  18  -0.589  -2.528  -8.282
  132    HA   ARG  18           HA       ARG  18  -2.718  -3.869  -9.708
  133   1HB   ARG  18           HB2      ARG  18   0.028  -4.787  -8.827
  134   2HB   ARG  18           HB1      ARG  18  -1.047  -5.761  -9.823
  135   1HG   ARG  18           HG2      ARG  18  -0.983  -4.195 -11.613
  136   2HG   ARG  18           HG1      ARG  18  -0.317  -2.928 -10.589
  137   1HD   ARG  18           HD2      ARG  18   1.821  -3.708 -10.812
  138   2HD   ARG  18           HD1      ARG  18   1.315  -5.393 -10.705
  139    HE   ARG  18           HE       ARG  18   1.737  -3.922 -13.156
  140   1HH1  ARG  18          HH11      ARG  18   0.877  -6.819 -11.744
  141   2HH1  ARG  18          HH12      ARG  18  -0.005  -7.443 -13.098
  142   1HH2  ARG  18          HH21      ARG  18   0.160  -4.413 -14.854
  143   2HH2  ARG  18          HH22      ARG  18  -0.422  -6.044 -14.905
  144    H    LEU  19           HN       LEU  19  -1.730  -3.786  -6.444
  145    HA   LEU  19           HA       LEU  19  -2.469  -6.362  -5.526
  146   1HB   LEU  19           HB2      LEU  19  -1.349  -4.500  -4.204
  147   2HB   LEU  19           HB1      LEU  19  -2.946  -3.788  -4.015
  148    HG   LEU  19           HG       LEU  19  -3.553  -6.281  -3.242
  149   1HD1  LEU  19          HD12      LEU  19  -1.014  -6.803  -3.722
  150   2HD1  LEU  19          HD11      LEU  19  -0.758  -6.047  -2.153
  151   3HD1  LEU  19          HD13      LEU  19  -1.778  -7.476  -2.286
  152   1HD2  LEU  19          HD23      LEU  19  -2.115  -4.243  -1.506
  153   2HD2  LEU  19          HD22      LEU  19  -3.832  -4.227  -1.891
  154   3HD2  LEU  19          HD21      LEU  19  -3.163  -5.527  -0.912
  155    H    LEU  20           HN       LEU  20  -4.419  -3.540  -6.282
  156    HA   LEU  20           HA       LEU  20  -6.878  -4.463  -5.140
  157   1HB   LEU  20           HB2      LEU  20  -6.104  -2.447  -7.201
  158   2HB   LEU  20           HB1      LEU  20  -7.792  -2.940  -7.131
  159    HG   LEU  20           HG       LEU  20  -6.375  -2.239  -4.576
  160   1HD1  LEU  20          HD13      LEU  20  -7.259  -0.359  -6.753
  161   2HD1  LEU  20          HD12      LEU  20  -7.417   0.130  -5.069
  162   3HD1  LEU  20          HD11      LEU  20  -5.832  -0.268  -5.724
  163   1HD2  LEU  20          HD23      LEU  20  -8.850  -3.165  -5.047
  164   2HD2  LEU  20          HD22      LEU  20  -8.529  -2.009  -3.756
  165   3HD2  LEU  20          HD21      LEU  20  -9.168  -1.451  -5.300
  166    H    ALA  21           HN       ALA  21  -5.300  -5.068  -8.209
  167    HA   ALA  21           HA       ALA  21  -7.615  -6.474  -9.326
  168   1HB   ALA  21           HB3      ALA  21  -5.770  -5.209 -10.628
  169   2HB   ALA  21           HB2      ALA  21  -4.794  -6.652 -10.371
  170   3HB   ALA  21           HB1      ALA  21  -6.303  -6.759 -11.271
  171    H    GLU  22           HN       GLU  22  -4.831  -7.246  -7.438
  172    HA   GLU  22           HA       GLU  22  -4.768 -10.080  -8.047
  173   1HB   GLU  22           HB2      GLU  22  -2.930  -8.583  -6.970
  174   2HB   GLU  22           HB1      GLU  22  -3.785  -8.893  -5.464
  175   1HG   GLU  22           HG2      GLU  22  -2.393 -10.732  -5.428
  176   2HG   GLU  22           HG1      GLU  22  -3.679 -11.417  -6.420
  177    H    HIS  23           HN       HIS  23  -6.678  -8.076  -6.007
  178    HA   HIS  23           HA       HIS  23  -7.674 -10.425  -4.471
  179   1HB   HIS  23           HB2      HIS  23  -8.160  -7.458  -4.094
  180   2HB   HIS  23           HB1      HIS  23  -8.793  -8.728  -3.049
  181    HD1  HIS  23           HD1      HIS  23  -6.517 -10.386  -2.481
  182    HD2  HIS  23           HD2      HIS  23  -5.967  -6.386  -2.887
  183    HE1  HIS  23           HE1      HIS  23  -4.432  -9.922  -1.328
  184    H    ASN  24           HN       ASN  24  -8.390  -8.647  -7.209
  185    HA   ASN  24           HA       ASN  24 -10.254  -8.762  -8.646
  186   1HB   ASN  24           HB2      ASN  24 -10.356 -11.128  -7.326
  187   2HB   ASN  24           HB1      ASN  24 -11.874 -10.412  -6.791
  188   1HD2  ASN  24          HD22      ASN  24 -11.576 -11.850 -10.534
  189   2HD2  ASN  24          HD21      ASN  24 -10.369 -12.081  -9.364
  190    H    LEU  25           HN       LEU  25  -9.962  -6.693  -6.748
  191    HA   LEU  25           HA       LEU  25 -12.826  -5.948  -6.387
  192   1HB   LEU  25           HB2      LEU  25 -10.674  -6.018  -4.301
  193   2HB   LEU  25           HB1      LEU  25 -11.935  -4.795  -4.195
  194    HG   LEU  25           HG       LEU  25 -12.780  -7.617  -4.719
  195   1HD1  LEU  25          HD12      LEU  25 -11.652  -6.559  -2.123
  196   2HD1  LEU  25          HD11      LEU  25 -12.854  -7.847  -2.137
  197   3HD1  LEU  25          HD13      LEU  25 -11.297  -8.086  -2.925
  198   1HD2  LEU  25          HD22      LEU  25 -14.372  -5.683  -4.624
  199   2HD2  LEU  25          HD21      LEU  25 -14.706  -6.893  -3.389
  200   3HD2  LEU  25          HD23      LEU  25 -13.878  -5.399  -2.958
  201    H    ASP  26           HN       ASP  26 -13.261  -3.776  -6.675
  202    HA   ASP  26           HA       ASP  26 -11.061  -2.217  -7.907
  203   1HB   ASP  26           HB2      ASP  26 -13.576  -2.564  -8.769
  204   2HB   ASP  26           HB1      ASP  26 -13.835  -1.141  -7.763
  205    H    ALA  27           HN       ALA  27 -10.454  -0.174  -7.179
  206    HA   ALA  27           HA       ALA  27 -10.584   0.262  -4.345
  207   1HB   ALA  27           HB1      ALA  27  -9.031   1.230  -6.399
  208   2HB   ALA  27           HB3      ALA  27 -10.006   2.636  -5.981
  209   3HB   ALA  27           HB2      ALA  27  -9.017   1.852  -4.751
  210    H    SER  28           HN       SER  28 -12.732   1.020  -6.882
  211    HA   SER  28           HA       SER  28 -13.962   3.401  -6.099
  212   1HB   SER  28           HB2      SER  28 -14.773   1.016  -7.597
  213   2HB   SER  28           HB1      SER  28 -16.130   1.811  -6.776
  214    HG   SER  28           HG1      SER  28 -14.352   2.809  -8.692
  215    H    ALA  29           HN       ALA  29 -14.177   0.238  -4.621
  216    HA   ALA  29           HA       ALA  29 -16.268   1.121  -2.743
  217   1HB   ALA  29           HB2      ALA  29 -15.020  -1.428  -3.517
  218   2HB   ALA  29           HB1      ALA  29 -15.366  -1.295  -1.795
  219   3HB   ALA  29           HB3      ALA  29 -16.662  -1.104  -2.970
  220    H    ILE  30           HN       ILE  30 -12.814   0.690  -2.845
  221    HA   ILE  30           HA       ILE  30 -12.520   1.001   0.062
  222    HB   ILE  30           HB       ILE  30 -10.339   1.115  -2.026
  223   1HG1  ILE  30          HG12      ILE  30 -11.496  -0.915  -2.513
  224   2HG1  ILE  30          HG11      ILE  30 -10.131  -1.394  -1.518
  225   1HG2  ILE  30          HG23      ILE  30 -10.363   1.324   0.817
  226   2HG2  ILE  30          HG22      ILE  30  -9.652  -0.236   0.427
  227   3HG2  ILE  30          HG21      ILE  30  -8.964   1.234  -0.243
  228   1HD1  ILE  30           HD1      ILE  30 -11.764  -1.172   0.489
  229   2HD1  ILE  30           HD3      ILE  30 -13.040  -1.142  -0.720
  230   3HD1  ILE  30           HD2      ILE  30 -11.992  -2.548  -0.583
  231    H    LYS  31           HN       LYS  31 -12.863   2.972   0.887
  232    HA   LYS  31           HA       LYS  31 -12.507   5.398  -0.679
  233   1HB   LYS  31           HB2      LYS  31 -13.303   4.758   2.135
  234   2HB   LYS  31           HB1      LYS  31 -12.818   6.405   1.747
  235   1HG   LYS  31           HG2      LYS  31 -14.497   6.508  -0.041
  236   2HG   LYS  31           HG1      LYS  31 -14.948   4.833   0.258
  237   1HD   LYS  31           HD2      LYS  31 -15.459   5.550   2.667
  238   2HD   LYS  31           HD1      LYS  31 -15.322   7.210   2.097
  239   1HE   LYS  31           HE2      LYS  31 -16.958   6.041   0.189
  240   2HE   LYS  31           HE1      LYS  31 -17.485   5.267   1.678
  241   1HZ   LYS  31           HZ2      LYS  31 -17.220   7.874   2.375
  242   2HZ   LYS  31           HZ1      LYS  31 -17.846   7.964   0.799
  243   3HZ   LYS  31           HZ3      LYS  31 -18.678   7.091   1.995
  244    H    GLY  32           HN       GLY  32 -11.081   7.169  -0.017
  245   1HA   GLY  32           HA2      GLY  32  -8.417   6.107   0.756
  246   2HA   GLY  32           HA1      GLY  32  -8.709   7.648  -0.044
  247    H    THR  33           HN       THR  33  -8.359   6.034   2.959
  248    HA   THR  33           HA       THR  33  -9.303   8.375   4.509
  249    HB   THR  33           HB       THR  33  -9.011   6.939   6.477
  250    HG1  THR  33           HG1      THR  33  -7.930   4.935   6.101
  251   1HG2  THR  33          HG22      THR  33 -10.814   6.301   4.567
  252   2HG2  THR  33          HG21      THR  33  -9.791   4.873   4.453
  253   3HG2  THR  33          HG23      THR  33 -10.572   5.276   5.978
  254    H    GLY  34           HN       GLY  34  -6.718   8.016   2.780
  255   1HA   GLY  34           HA2      GLY  34  -4.529   8.314   4.639
  256   2HA   GLY  34           HA1      GLY  34  -4.472   8.703   2.922
  257    H    VAL  35           HN       VAL  35  -3.107  10.413   4.314
  258    HA   VAL  35           HA       VAL  35  -4.438  12.541   5.636
  259    HB   VAL  35           HB       VAL  35  -1.903  12.539   3.982
  260   1HG1  VAL  35          HG11      VAL  35  -3.187  14.662   5.717
  261   2HG1  VAL  35          HG13      VAL  35  -1.457  14.651   5.389
  262   3HG1  VAL  35          HG12      VAL  35  -2.603  14.821   4.063
  263   1HG2  VAL  35          HG22      VAL  35  -2.452  12.421   6.969
  264   2HG2  VAL  35          HG21      VAL  35  -1.841  11.101   5.976
  265   3HG2  VAL  35          HG23      VAL  35  -0.850  12.532   6.245
  266    H    GLY  36           HN       GLY  36  -5.712  14.144   4.928
  267   1HA   GLY  36           HA2      GLY  36  -6.609  15.747   3.424
  268   2HA   GLY  36           HA1      GLY  36  -5.497  15.162   2.190
  269    H    GLY  37           HN       GLY  37  -6.536  12.360   2.970
  270   1HA   GLY  37           HA2      GLY  37  -8.581  11.110   2.572
  271   2HA   GLY  37           HA1      GLY  37  -9.222  12.497   1.697
  272    NH1  ARG  38           NH1      ARG  38  -0.361  10.579   1.749
  273    NH2  ARG  38           NH2      ARG  38  -0.215  12.451   0.448
  274    H    ARG  38           HN       ARG  38  -6.464  10.247   1.515
  275    HA   ARG  38           HA       ARG  38  -7.082   9.856  -1.371
  276   1HB   ARG  38           HB2      ARG  38  -4.658  10.050  -1.917
  277   2HB   ARG  38           HB1      ARG  38  -5.339  11.562  -1.327
  278   1HG   ARG  38           HG2      ARG  38  -4.526  10.921   0.986
  279   2HG   ARG  38           HG1      ARG  38  -3.677   9.572   0.242
  280   1HD   ARG  38           HD2      ARG  38  -2.997  11.796  -1.335
  281   2HD   ARG  38           HD1      ARG  38  -2.922  12.380   0.326
  282    HE   ARG  38           HE       ARG  38  -1.438   9.943  -0.584
  283   1HH1  ARG  38          HH11      ARG  38  -0.770   9.681   1.916
  284   2HH1  ARG  38          HH12      ARG  38   0.323  10.941   2.383
  285   1HH2  ARG  38          HH21      ARG  38  -0.513  12.956  -0.361
  286   2HH2  ARG  38          HH22      ARG  38   0.471  12.845   1.060
  287    H    LEU  39           HN       LEU  39  -6.258   7.886  -2.240
  288    HA   LEU  39           HA       LEU  39  -6.386   5.666  -0.455
  289   1HB   LEU  39           HB2      LEU  39  -6.919   5.439  -2.832
  290   2HB   LEU  39           HB1      LEU  39  -5.269   5.856  -3.269
  291    HG   LEU  39           HG       LEU  39  -4.429   3.819  -2.168
  292   1HD1  LEU  39          HD11      LEU  39  -7.299   3.652  -1.282
  293   2HD1  LEU  39          HD13      LEU  39  -6.382   2.165  -1.501
  294   3HD1  LEU  39          HD12      LEU  39  -5.833   3.376  -0.347
  295   1HD2  LEU  39          HD23      LEU  39  -5.525   3.858  -4.553
  296   2HD2  LEU  39          HD22      LEU  39  -5.148   2.306  -3.812
  297   3HD2  LEU  39          HD21      LEU  39  -6.800   2.914  -3.789
  298    H    THR  40           HN       THR  40  -4.850   4.537   0.626
  299    HA   THR  40           HA       THR  40  -1.988   5.058   0.057
  300    HB   THR  40           HB       THR  40  -1.629   5.416   2.597
  301    HG1  THR  40           HG1      THR  40  -4.382   6.060   2.385
  302   1HG2  THR  40          HG22      THR  40  -1.676   7.340   0.922
  303   2HG2  THR  40          HG21      THR  40  -3.404   7.473   1.234
  304   3HG2  THR  40          HG23      THR  40  -2.249   7.774   2.529
  305    NH1  ARG  41           NH2      ARG  41   0.752  -0.219   7.820
  306    NH2  ARG  41           NH1      ARG  41   2.752   0.756   7.298
  307    H    ARG  41           HN       ARG  41  -2.401   3.864   3.127
  308    HA   ARG  41           HA       ARG  41  -2.240   1.026   2.165
  309   1HB   ARG  41           HB2      ARG  41  -0.081   1.765   3.013
  310   2HB   ARG  41           HB1      ARG  41  -0.827   2.362   4.490
  311   1HG   ARG  41           HG2      ARG  41  -1.414   0.140   5.195
  312   2HG   ARG  41           HG1      ARG  41  -1.019  -0.535   3.619
  313   1HD   ARG  41           HD2      ARG  41   0.823  -1.009   5.148
  314   2HD   ARG  41           HD1      ARG  41   1.368   0.194   3.980
  315    HE   ARG  41           HE       ARG  41   0.805   1.906   5.815
  316   1HH1  ARG  41          HH21      ARG  41  -0.201  -0.401   7.577
  317   2HH1  ARG  41          HH22      ARG  41   1.129  -0.579   8.674
  318   1HH2  ARG  41          HH11      ARG  41   3.299   1.302   6.665
  319   2HH2  ARG  41          HH12      ARG  41   3.162   0.412   8.143
  320    H    GLU  42           HN       GLU  42  -3.285   3.180   4.766
  321    HA   GLU  42           HA       GLU  42  -4.678   1.066   6.211
  322   1HB   GLU  42           HB2      GLU  42  -4.837   4.083   6.431
  323   2HB   GLU  42           HB1      GLU  42  -5.608   2.958   7.545
  324   1HG   GLU  42           HG2      GLU  42  -2.865   2.172   7.222
  325   2HG   GLU  42           HG1      GLU  42  -2.910   3.893   7.597
  326    H    ASP  43           HN       ASP  43  -5.439   1.124   3.499
  327    HA   ASP  43           HA       ASP  43  -8.328   1.869   3.765
  328   1HB   ASP  43           HB2      ASP  43  -7.037   1.944   1.076
  329   2HB   ASP  43           HB1      ASP  43  -8.369   2.911   1.705
  330    H    VAL  44           HN       VAL  44  -5.995  -0.057   1.903
  331    HA   VAL  44           HA       VAL  44  -8.016  -1.907   0.949
  332    HB   VAL  44           HB       VAL  44  -5.040  -2.414   1.109
  333   1HG1  VAL  44          HG12      VAL  44  -7.176  -3.963   0.206
  334   2HG1  VAL  44          HG11      VAL  44  -6.546  -3.230  -1.266
  335   3HG1  VAL  44          HG13      VAL  44  -5.487  -4.187  -0.235
  336   1HG2  VAL  44          HG22      VAL  44  -6.656  -0.754  -0.845
  337   2HG2  VAL  44          HG21      VAL  44  -5.243  -0.254   0.079
  338   3HG2  VAL  44          HG23      VAL  44  -5.068  -1.405  -1.241
  339    H    GLU  45           HN       GLU  45  -5.479  -2.098   3.434
  340    HA   GLU  45           HA       GLU  45  -5.959  -4.719   4.312
  341   1HB   GLU  45           HB2      GLU  45  -4.828  -4.065   6.321
  342   2HB   GLU  45           HB1      GLU  45  -4.082  -3.192   5.001
  343   1HG   GLU  45           HG2      GLU  45  -5.733  -1.294   5.541
  344   2HG   GLU  45           HG1      GLU  45  -6.060  -2.154   7.044
  345    H    LYS  46           HN       LYS  46  -7.526  -1.691   5.265
  346    HA   LYS  46           HA       LYS  46  -9.152  -2.759   7.348
  347   1HB   LYS  46           HB2      LYS  46  -8.763  -0.285   6.569
  348   2HB   LYS  46           HB1      LYS  46 -10.150  -0.587   5.528
  349   1HG   LYS  46           HG2      LYS  46 -11.253  -1.527   7.721
  350   2HG   LYS  46           HG1      LYS  46 -10.009  -0.587   8.537
  351   1HD   LYS  46           HD2      LYS  46 -11.691   1.013   8.366
  352   2HD   LYS  46           HD1      LYS  46 -10.816   1.318   6.869
  353   1HE   LYS  46           HE2      LYS  46 -12.957   1.108   6.014
  354   2HE   LYS  46           HE1      LYS  46 -12.458  -0.578   5.948
  355   1HZ   LYS  46           HZ3      LYS  46 -13.399  -0.426   8.432
  356   2HZ   LYS  46           HZ2      LYS  46 -14.396   0.715   7.665
  357   3HZ   LYS  46           HZ1      LYS  46 -14.340  -0.882   7.093
  358    H    HIS  47           HN       HIS  47  -9.142  -3.438   4.083
  359    HA   HIS  47           HA       HIS  47 -12.030  -4.132   3.993
  360   1HB   HIS  47           HB2      HIS  47 -10.580  -2.946   2.101
  361   2HB   HIS  47           HB1      HIS  47 -10.192  -4.614   1.687
  362    HD1  HIS  47           HD1      HIS  47 -13.301  -2.694   2.398
  363    HD2  HIS  47           HD2      HIS  47 -12.044  -5.750   0.044
  364    HE1  HIS  47           HE1      HIS  47 -15.232  -3.277   1.049
  365    H    LEU  48           HN       LEU  48  -8.821  -5.580   3.695
  366    HA   LEU  48           HA       LEU  48  -9.869  -8.276   3.328
  367   1HB   LEU  48           HB2      LEU  48  -7.078  -7.644   4.264
  368   2HB   LEU  48           HB1      LEU  48  -7.619  -8.968   3.241
  369    HG   LEU  48           HG       LEU  48  -7.518  -6.027   2.491
  370   1HD1  LEU  48          HD11      LEU  48  -5.437  -7.675   2.489
  371   2HD1  LEU  48          HD13      LEU  48  -6.183  -8.275   1.012
  372   3HD1  LEU  48          HD12      LEU  48  -5.704  -6.585   1.132
  373   1HD2  LEU  48          HD21      LEU  48  -8.774  -8.434   1.176
  374   2HD2  LEU  48          HD23      LEU  48  -9.446  -6.820   1.387
  375   3HD2  LEU  48          HD22      LEU  48  -8.178  -7.098   0.197
  376    H    ALA  49           HN       ALA  49 -10.776  -6.774   5.691
  377    HA   ALA  49           HA       ALA  49  -9.482  -7.859   8.036
  378   1HB   ALA  49           HB3      ALA  49 -10.933  -5.798   7.993
  379   2HB   ALA  49           HB2      ALA  49 -12.329  -6.857   7.807
  380   3HB   ALA  49           HB1      ALA  49 -11.348  -6.941   9.266
  381    H    LYS  50           HN       LYS  50 -11.284  -8.986   9.626
  382    HA   LYS  50           HA       LYS  50 -11.748 -11.596   8.322
  383   1HB   LYS  50           HB2      LYS  50 -12.046 -10.711  11.203
  384   2HB   LYS  50           HB1      LYS  50 -12.261 -12.362  10.634
  385   1HG   LYS  50           HG2      LYS  50  -9.977 -12.576  10.036
  386   2HG   LYS  50           HG1      LYS  50  -9.721 -10.836  10.050
  387   1HD   LYS  50           HD2      LYS  50 -10.079 -10.807  12.503
  388   2HD   LYS  50           HD1      LYS  50 -10.321 -12.550  12.485
  389   1HE   LYS  50           HE2      LYS  50  -8.020 -12.777  11.464
  390   2HE   LYS  50           HE1      LYS  50  -7.793 -11.053  11.728
  391   1HZ   LYS  50           HZ2      LYS  50  -8.727 -12.261  14.095
  392   2HZ   LYS  50           HZ1      LYS  50  -7.371 -13.111  13.529
  393   3HZ   LYS  50           HZ3      LYS  50  -7.266 -11.441  13.819
  394    H    ALA  51           HN       ALA  51 -13.672  -9.576  10.539
  395    HA   ALA  51           HA       ALA  51 -16.159 -10.782   9.643
  396   1HB   ALA  51           HB2      ALA  51 -15.337  -8.723  11.607
  397   2HB   ALA  51           HB1      ALA  51 -16.963  -8.547  10.954
  398   3HB   ALA  51           HB3      ALA  51 -16.500 -10.034  11.775
   
 Raw file had 398 H/Q atoms
  Start of MODEL   53
    1    OH   TYR   1           OH       TYR   1  28.067  -3.439  -3.070
    2   1H    TYR   1           HT1      TYR   1  27.157   2.819  -8.511
    3   2H    TYR   1           HT3      TYR   1  27.761   1.349  -9.111
    4   3H    TYR   1           HT2      TYR   1  26.092   1.662  -9.151
    5    HA   TYR   1           HA       TYR   1  26.368   0.216  -7.358
    6   1HB   TYR   1           HB2      TYR   1  28.950   0.887  -7.329
    7   2HB   TYR   1           HB1      TYR   1  28.411   1.932  -6.016
    8    HD1  TYR   1           HD2      TYR   1  27.989  -1.599  -7.206
    9    HD2  TYR   1           HD1      TYR   1  28.311   1.011  -3.862
   10    HE1  TYR   1           HE2      TYR   1  27.938  -3.529  -5.694
   11    HE2  TYR   1           HE1      TYR   1  28.259  -0.918  -2.351
   12    HH   TYR   1           HH       TYR   1  27.699  -3.150  -2.232
   13    H    ALA   2           HN       ALA   2  24.423   0.781  -6.569
   14    HA   ALA   2           HA       ALA   2  23.853   3.475  -5.617
   15   1HB   ALA   2           HB1      ALA   2  22.334   0.881  -5.679
   16   2HB   ALA   2           HB3      ALA   2  21.715   2.252  -4.764
   17   3HB   ALA   2           HB2      ALA   2  21.966   2.395  -6.501
   18    H    SER   3           HN       SER   3  24.091   4.245  -3.608
   19    HA   SER   3           HA       SER   3  24.102   2.448  -1.287
   20   1HB   SER   3           HB2      SER   3  26.594   3.752  -2.339
   21   2HB   SER   3           HB1      SER   3  26.400   3.516  -0.592
   22    HG   SER   3           HG1      SER   3  27.265   1.643  -1.516
   23    H    LEU   4           HN       LEU   4  25.911   5.332  -1.093
   24    HA   LEU   4           HA       LEU   4  24.250   6.524   0.876
   25   1HB   LEU   4           HB2      LEU   4  25.562   8.599   0.413
   26   2HB   LEU   4           HB1      LEU   4  26.579   7.178   0.626
   27    HG   LEU   4           HG       LEU   4  25.824   7.336  -2.138
   28   1HD1  LEU   4          HD11      LEU   4  25.445   9.750  -1.676
   29   2HD1  LEU   4          HD13      LEU   4  27.072   9.868  -1.012
   30   3HD1  LEU   4          HD12      LEU   4  26.842   9.507  -2.720
   31   1HD2  LEU   4          HD23      LEU   4  28.455   7.815  -0.693
   32   2HD2  LEU   4          HD22      LEU   4  27.852   6.253  -1.239
   33   3HD2  LEU   4          HD21      LEU   4  28.291   7.487  -2.415
   34    H    GLU   5           HN       GLU   5  23.757   6.235  -2.439
   35    HA   GLU   5           HA       GLU   5  22.220   8.722  -2.749
   36   1HB   GLU   5           HB2      GLU   5  22.455   6.330  -4.594
   37   2HB   GLU   5           HB1      GLU   5  21.764   7.893  -5.014
   38   1HG   GLU   5           HG2      GLU   5  24.274   8.512  -3.925
   39   2HG   GLU   5           HG1      GLU   5  24.564   7.089  -4.923
   40    H    GLU   6           HN       GLU   6  21.651   5.772  -1.341
   41    HA   GLU   6           HA       GLU   6  19.108   4.952  -2.151
   42   1HB   GLU   6           HB2      GLU   6  20.406   3.770  -0.435
   43   2HB   GLU   6           HB1      GLU   6  20.162   5.107   0.684
   44   1HG   GLU   6           HG2      GLU   6  18.054   4.425   1.196
   45   2HG   GLU   6           HG1      GLU   6  17.654   4.132  -0.496
   46    H    GLN   7           HN       GLN   7  17.351   6.153  -2.465
   47    HA   GLN   7           HA       GLN   7  16.949   8.688  -1.079
   48   1HB   GLN   7           HB2      GLN   7  15.400   7.100  -3.108
   49   2HB   GLN   7           HB1      GLN   7  14.658   8.481  -2.310
   50   1HG   GLN   7           HG2      GLN   7  16.251   9.997  -3.190
   51   2HG   GLN   7           HG1      GLN   7  17.391   8.709  -3.575
   52   1HE2  GLN   7          HE22      GLN   7  15.846   7.888  -6.669
   53   2HE2  GLN   7          HE21      GLN   7  16.938   7.371  -5.476
   54    H    ASN   8           HN       ASN   8  15.122   9.190   0.260
   55    HA   ASN   8           HA       ASN   8  14.683   7.532   2.447
   56   1HB   ASN   8           HB2      ASN   8  13.945   9.835   2.491
   57   2HB   ASN   8           HB1      ASN   8  12.785   9.535   1.199
   58   1HD2  ASN   8          HD22      ASN   8  10.566   9.234   4.008
   59   2HD2  ASN   8          HD21      ASN   8  11.175  10.347   2.881
   60    H    ASN   9           HN       ASN   9  13.524   5.742   2.855
   61    HA   ASN   9           HA       ASN   9  12.337   4.245   0.714
   62   1HB   ASN   9           HB2      ASN   9  12.061   3.917   3.714
   63   2HB   ASN   9           HB1      ASN   9  11.570   2.719   2.519
   64   1HD2  ASN   9          HD22      ASN   9  14.921   1.594   3.353
   65   2HD2  ASN   9          HD21      ASN   9  13.330   1.508   3.936
   66    H    ASP  10           HN       ASP  10  10.560   4.980  -0.295
   67    HA   ASP  10           HA       ASP  10   8.589   6.702   0.756
   68   1HB   ASP  10           HB2      ASP  10   7.110   5.463  -1.054
   69   2HB   ASP  10           HB1      ASP  10   8.458   6.480  -1.554
   70    H    ALA  11           HN       ALA  11   6.625   6.382   1.773
   71    HA   ALA  11           HA       ALA  11   6.386   4.267   3.633
   72   1HB   ALA  11           HB1      ALA  11   4.968   6.590   3.043
   73   2HB   ALA  11           HB3      ALA  11   3.794   5.303   2.785
   74   3HB   ALA  11           HB2      ALA  11   4.602   5.459   4.342
   75    H    LEU  12           HN       LEU  12   4.974   4.625   0.412
   76    HA   LEU  12           HA       LEU  12   3.647   2.012   0.580
   77   1HB   LEU  12           HB2      LEU  12   4.042   3.603  -1.946
   78   2HB   LEU  12           HB1      LEU  12   2.722   2.518  -1.525
   79    HG   LEU  12           HG       LEU  12   3.302   5.222  -0.270
   80   1HD1  LEU  12          HD12      LEU  12   2.198   5.168  -2.543
   81   2HD1  LEU  12          HD11      LEU  12   0.891   4.231  -1.826
   82   3HD1  LEU  12          HD13      LEU  12   1.194   5.878  -1.281
   83   1HD2  LEU  12          HD21      LEU  12   1.341   3.022   0.423
   84   2HD2  LEU  12          HD23      LEU  12   2.479   3.834   1.492
   85   3HD2  LEU  12          HD22      LEU  12   1.065   4.696   0.895
   86    H    SER  13           HN       SER  13   4.035   0.797  -1.769
   87    HA   SER  13           HA       SER  13   6.931   0.577  -2.259
   88   1HB   SER  13           HB2      SER  13   6.028  -2.112  -1.978
   89   2HB   SER  13           HB1      SER  13   7.183  -1.255  -0.940
   90    HG   SER  13           HG1      SER  13   4.381  -0.877  -0.780
   91    HA   PRO  14           HA       PRO  14   5.807  -0.361  -6.404
   92   1HB   PRO  14           HB2      PRO  14   7.339  -2.758  -6.748
   93   2HB   PRO  14           HB1      PRO  14   7.751  -1.126  -7.275
   94   1HG   PRO  14           HG2      PRO  14   8.884  -2.634  -5.052
   95   2HG   PRO  14           HG1      PRO  14   9.379  -1.053  -5.657
   96   1HD   PRO  14           HD1      PRO  14   7.984  -1.600  -3.220
   97   2HD   PRO  14           HD2      PRO  14   8.347  -0.011  -3.914
   98    H    ALA  15           HN       ALA  15   5.484  -2.762  -3.953
   99    HA   ALA  15           HA       ALA  15   3.932  -4.630  -5.585
  100   1HB   ALA  15           HB3      ALA  15   5.343  -4.936  -3.294
  101   2HB   ALA  15           HB2      ALA  15   3.723  -4.746  -2.630
  102   3HB   ALA  15           HB1      ALA  15   4.057  -6.034  -3.784
  103    H    ILE  16           HN       ILE  16   3.125  -1.729  -5.119
  104    HA   ILE  16           HA       ILE  16   0.515  -2.105  -3.764
  105    HB   ILE  16           HB       ILE  16   2.074  -0.057  -3.454
  106   1HG1  ILE  16          HG12      ILE  16  -0.879   0.144  -4.129
  107   2HG1  ILE  16          HG11      ILE  16  -0.164  -0.062  -2.536
  108   1HG2  ILE  16          HG21      ILE  16   2.153   0.089  -6.092
  109   2HG2  ILE  16          HG23      ILE  16   0.651   0.983  -5.888
  110   3HG2  ILE  16          HG22      ILE  16   2.132   1.566  -5.135
  111   1HD1  ILE  16           HD1      ILE  16   1.079   2.198  -3.151
  112   2HD1  ILE  16           HD3      ILE  16  -0.273   2.393  -4.259
  113   3HD1  ILE  16           HD2      ILE  16  -0.567   2.233  -2.531
  114    NH1  ARG  17           NH2      ARG  17   4.822   1.935  -7.183
  115    NH2  ARG  17           NH1      ARG  17   5.948   0.623  -8.678
  116    H    ARG  17           HN       ARG  17   1.859  -2.029  -6.911
  117    HA   ARG  17           HA       ARG  17  -0.623  -1.218  -8.248
  118   1HB   ARG  17           HB2      ARG  17   1.944  -2.380  -9.355
  119   2HB   ARG  17           HB1      ARG  17   0.622  -1.745 -10.326
  120   1HG   ARG  17           HG2      ARG  17   1.371   0.365 -10.041
  121   2HG   ARG  17           HG1      ARG  17   1.330   0.178  -8.291
  122   1HD   ARG  17           HD2      ARG  17   3.548  -0.964  -8.388
  123   2HD   ARG  17           HD1      ARG  17   3.590  -0.692 -10.129
  124    HE   ARG  17           HE       ARG  17   3.296   1.838  -9.326
  125   1HH1  ARG  17          HH21      ARG  17   3.967   2.367  -6.897
  126   2HH1  ARG  17          HH22      ARG  17   5.653   2.061  -6.641
  127   1HH2  ARG  17          HH11      ARG  17   5.936   0.070  -9.512
  128   2HH2  ARG  17          HH12      ARG  17   6.796   0.727  -8.159
  129    NH1  ARG  18           NH2      ARG  18   4.830  -4.522 -10.839
  130    NH2  ARG  18           NH1      ARG  18   4.124  -5.114 -12.931
  131    H    ARG  18           HN       ARG  18   1.351  -4.137  -8.703
  132    HA   ARG  18           HA       ARG  18  -0.635  -5.749  -9.833
  133   1HB   ARG  18           HB2      ARG  18   1.703  -6.464  -8.064
  134   2HB   ARG  18           HB1      ARG  18   0.682  -7.687  -8.811
  135   1HG   ARG  18           HG2      ARG  18   1.461  -7.240 -10.930
  136   2HG   ARG  18           HG1      ARG  18   1.662  -5.522 -10.604
  137   1HD   ARG  18           HD2      ARG  18   3.674  -6.012  -9.245
  138   2HD   ARG  18           HD1      ARG  18   3.469  -7.734  -9.562
  139    HE   ARG  18           HE       ARG  18   4.316  -7.383 -11.750
  140   1HH1  ARG  18          HH21      ARG  18   4.980  -4.774  -9.883
  141   2HH1  ARG  18          HH22      ARG  18   5.058  -3.601 -11.155
  142   1HH2  ARG  18          HH11      ARG  18   3.745  -5.809 -13.541
  143   2HH2  ARG  18          HH12      ARG  18   4.340  -4.203 -13.282
  144    H    LEU  19           HN       LEU  19  -0.574  -4.491  -6.708
  145    HA   LEU  19           HA       LEU  19  -1.956  -6.629  -5.325
  146   1HB   LEU  19           HB2      LEU  19  -0.637  -4.665  -4.304
  147   2HB   LEU  19           HB1      LEU  19  -2.089  -3.711  -4.580
  148    HG   LEU  19           HG       LEU  19  -3.199  -5.885  -3.407
  149   1HD1  LEU  19          HD11      LEU  19  -0.973  -6.960  -3.103
  150   2HD1  LEU  19          HD13      LEU  19  -0.451  -5.576  -2.147
  151   3HD1  LEU  19          HD12      LEU  19  -1.743  -6.617  -1.558
  152   1HD2  LEU  19          HD21      LEU  19  -1.885  -3.554  -1.967
  153   2HD2  LEU  19          HD23      LEU  19  -3.485  -3.533  -2.703
  154   3HD2  LEU  19          HD22      LEU  19  -3.171  -4.561  -1.308
  155    H    LEU  20           HN       LEU  20  -3.116  -3.417  -6.351
  156    HA   LEU  20           HA       LEU  20  -5.877  -3.987  -5.963
  157   1HB   LEU  20           HB2      LEU  20  -4.402  -1.993  -7.674
  158   2HB   LEU  20           HB1      LEU  20  -6.160  -2.088  -7.705
  159    HG   LEU  20           HG       LEU  20  -4.855  -2.020  -5.019
  160   1HD1  LEU  20          HD11      LEU  20  -4.847   0.233  -7.020
  161   2HD1  LEU  20          HD13      LEU  20  -5.024   0.588  -5.304
  162   3HD1  LEU  20          HD12      LEU  20  -3.586  -0.242  -5.887
  163   1HD2  LEU  20          HD23      LEU  20  -7.366  -2.156  -5.534
  164   2HD2  LEU  20          HD22      LEU  20  -6.877  -0.877  -4.427
  165   3HD2  LEU  20          HD21      LEU  20  -7.237  -0.496  -6.108
  166    H    ALA  21           HN       ALA  21  -3.739  -5.232  -8.233
  167    HA   ALA  21           HA       ALA  21  -5.870  -5.740 -10.246
  168   1HB   ALA  21           HB3      ALA  21  -2.931  -5.605 -10.285
  169   2HB   ALA  21           HB2      ALA  21  -3.605  -6.927 -11.232
  170   3HB   ALA  21           HB1      ALA  21  -4.087  -5.268 -11.570
  171    H    GLU  22           HN       GLU  22  -4.101  -7.272  -7.724
  172    HA   GLU  22           HA       GLU  22  -4.623  -9.998  -8.669
  173   1HB   GLU  22           HB2      GLU  22  -2.670  -9.153  -7.154
  174   2HB   GLU  22           HB1      GLU  22  -3.841  -9.297  -5.850
  175   1HG   GLU  22           HG2      GLU  22  -3.115 -11.536  -7.777
  176   2HG   GLU  22           HG1      GLU  22  -2.494 -11.381  -6.136
  177    H    HIS  23           HN       HIS  23  -5.895  -7.834  -6.173
  178    HA   HIS  23           HA       HIS  23  -8.011  -9.817  -5.540
  179   1HB   HIS  23           HB2      HIS  23  -7.566  -7.116  -4.256
  180   2HB   HIS  23           HB1      HIS  23  -8.493  -8.470  -3.614
  181    HD1  HIS  23           HD1      HIS  23  -6.670 -10.690  -3.718
  182    HD2  HIS  23           HD2      HIS  23  -5.206  -6.994  -2.907
  183    HE1  HIS  23           HE1      HIS  23  -4.551 -11.089  -2.600
  184    H    ASN  24           HN       ASN  24  -7.503  -7.050  -7.446
  185    HA   ASN  24           HA       ASN  24  -8.993  -5.600  -8.570
  186   1HB   ASN  24           HB2      ASN  24 -10.378  -8.285  -8.626
  187   2HB   ASN  24           HB1      ASN  24 -11.006  -6.887  -9.494
  188   1HD2  ASN  24          HD22      ASN  24  -8.718  -7.223 -12.134
  189   2HD2  ASN  24          HD21      ASN  24 -10.136  -6.508 -11.537
  190    H    LEU  25           HN       LEU  25  -9.222  -4.698  -6.230
  191    HA   LEU  25           HA       LEU  25 -11.913  -5.126  -5.090
  192   1HB   LEU  25           HB2      LEU  25  -9.453  -3.632  -4.232
  193   2HB   LEU  25           HB1      LEU  25 -11.001  -3.282  -3.474
  194    HG   LEU  25           HG       LEU  25 -10.275  -6.160  -3.758
  195   1HD1  LEU  25          HD13      LEU  25  -8.981  -4.291  -1.743
  196   2HD1  LEU  25          HD12      LEU  25  -8.887  -6.048  -1.695
  197   3HD1  LEU  25          HD11      LEU  25  -8.143  -5.163  -3.023
  198   1HD2  LEU  25          HD21      LEU  25 -12.391  -5.367  -2.708
  199   2HD2  LEU  25          HD23      LEU  25 -11.387  -6.247  -1.562
  200   3HD2  LEU  25          HD22      LEU  25 -11.449  -4.488  -1.508
  201    H    ASP  26           HN       ASP  26 -13.572  -3.690  -5.212
  202    HA   ASP  26           HA       ASP  26 -13.220  -1.431  -7.102
  203   1HB   ASP  26           HB2      ASP  26 -15.234  -3.284  -6.818
  204   2HB   ASP  26           HB1      ASP  26 -15.903  -1.885  -5.983
  205    H    ALA  27           HN       ALA  27 -12.392   0.291  -6.038
  206    HA   ALA  27           HA       ALA  27 -12.620   1.015  -3.366
  207   1HB   ALA  27           HB3      ALA  27 -11.284   2.183  -5.189
  208   2HB   ALA  27           HB2      ALA  27 -12.768   3.029  -5.616
  209   3HB   ALA  27           HB1      ALA  27 -12.057   3.250  -4.020
  210    H    SER  28           HN       SER  28 -15.119   0.926  -5.684
  211    HA   SER  28           HA       SER  28 -16.906   2.924  -4.985
  212   1HB   SER  28           HB2      SER  28 -18.653   1.520  -5.791
  213   2HB   SER  28           HB1      SER  28 -17.210   0.892  -6.609
  214    HG   SER  28           HG1      SER  28 -17.100  -0.749  -5.208
  215    H    ALA  29           HN       ALA  29 -15.779   0.341  -3.016
  216    HA   ALA  29           HA       ALA  29 -17.855   0.928  -0.945
  217   1HB   ALA  29           HB3      ALA  29 -16.082  -1.448  -1.471
  218   2HB   ALA  29           HB2      ALA  29 -16.841  -1.213   0.100
  219   3HB   ALA  29           HB1      ALA  29 -17.838  -1.396  -1.341
  220    H    ILE  30           HN       ILE  30 -14.510   1.228  -1.699
  221    HA   ILE  30           HA       ILE  30 -13.807   1.774   1.131
  222    HB   ILE  30           HB       ILE  30 -11.976   1.846  -1.276
  223   1HG1  ILE  30          HG12      ILE  30 -13.045  -0.335  -1.260
  224   2HG1  ILE  30          HG11      ILE  30 -11.414  -0.527  -0.640
  225   1HG2  ILE  30          HG22      ILE  30 -11.628   2.175   1.622
  226   2HG2  ILE  30          HG21      ILE  30 -10.589   0.920   0.965
  227   3HG2  ILE  30          HG23      ILE  30 -10.517   2.552   0.315
  228   1HD1  ILE  30           HD1      ILE  30 -12.527  -0.168   1.711
  229   2HD1  ILE  30           HD3      ILE  30 -14.027  -0.551   0.874
  230   3HD1  ILE  30           HD2      ILE  30 -12.718  -1.729   0.922
  231    H    LYS  31           HN       LYS  31 -12.531   3.740   1.600
  232    HA   LYS  31           HA       LYS  31 -13.550   6.061   0.012
  233   1HB   LYS  31           HB2      LYS  31 -13.859   5.567   2.676
  234   2HB   LYS  31           HB1      LYS  31 -12.402   6.555   2.685
  235   1HG   LYS  31           HG2      LYS  31 -13.685   8.144   1.102
  236   2HG   LYS  31           HG1      LYS  31 -15.128   7.259   1.585
  237   1HD   LYS  31           HD2      LYS  31 -14.622   7.752   3.966
  238   2HD   LYS  31           HD1      LYS  31 -13.200   8.662   3.466
  239   1HE   LYS  31           HE2      LYS  31 -15.298   9.686   1.902
  240   2HE   LYS  31           HE1      LYS  31 -15.986   9.496   3.509
  241   1HZ   LYS  31           HZ3      LYS  31 -14.131  10.742   4.417
  242   2HZ   LYS  31           HZ2      LYS  31 -13.470  10.928   2.863
  243   3HZ   LYS  31           HZ1      LYS  31 -14.958  11.653   3.246
  244    H    GLY  32           HN       GLY  32 -12.126   7.376  -0.970
  245   1HA   GLY  32           HA2      GLY  32  -9.242   6.759  -0.657
  246   2HA   GLY  32           HA1      GLY  32  -9.951   7.705  -1.964
  247    H    THR  33           HN       THR  33  -8.605   7.776   1.205
  248    HA   THR  33           HA       THR  33  -9.105  10.717   1.405
  249    HB   THR  33           HB       THR  33  -8.323  10.284   3.859
  250    HG1  THR  33           HG1      THR  33  -7.700   8.063   2.785
  251   1HG2  THR  33          HG21      THR  33 -10.860   9.316   2.572
  252   2HG2  THR  33          HG23      THR  33 -10.554   8.841   4.240
  253   3HG2  THR  33          HG22      THR  33 -10.654  10.546   3.815
  254    H    GLY  34           HN       GLY  34  -7.190   9.982  -0.412
  255   1HA   GLY  34           HA2      GLY  34  -4.553  10.060   0.891
  256   2HA   GLY  34           HA1      GLY  34  -4.846  10.007  -0.845
  257    H    VAL  35           HN       VAL  35  -2.953  11.731   0.187
  258    HA   VAL  35           HA       VAL  35  -3.789  14.334   0.871
  259    HB   VAL  35           HB       VAL  35  -1.415  13.313  -0.679
  260   1HG1  VAL  35          HG12      VAL  35  -2.320  16.145  -0.200
  261   2HG1  VAL  35          HG11      VAL  35  -0.599  15.774  -0.205
  262   3HG1  VAL  35          HG13      VAL  35  -1.573  15.450  -1.636
  263   1HG2  VAL  35          HG21      VAL  35  -1.928  13.237   1.958
  264   2HG2  VAL  35          HG23      VAL  35  -0.304  13.511   1.340
  265   3HG2  VAL  35          HG22      VAL  35  -1.287  14.874   1.866
  266    H    GLY  36           HN       GLY  36  -3.643  12.762  -2.266
  267   1HA   GLY  36           HA2      GLY  36  -4.645  15.244  -3.571
  268   2HA   GLY  36           HA1      GLY  36  -3.994  13.843  -4.416
  269    H    GLY  37           HN       GLY  37  -5.842  12.499  -2.140
  270   1HA   GLY  37           HA2      GLY  37  -8.207  12.038  -1.994
  271   2HA   GLY  37           HA1      GLY  37  -8.434  12.860  -3.534
  272    NH1  ARG  38           NH2      ARG  38  -0.990   7.015  -4.636
  273    NH2  ARG  38           NH1      ARG  38   0.555   8.600  -4.071
  274    H    ARG  38           HN       ARG  38  -5.812  10.656  -3.344
  275    HA   ARG  38           HA       ARG  38  -7.192   8.870  -5.251
  276   1HB   ARG  38           HB2      ARG  38  -4.980   7.850  -5.558
  277   2HB   ARG  38           HB1      ARG  38  -4.874   9.600  -5.709
  278   1HG   ARG  38           HG2      ARG  38  -4.422   9.448  -3.086
  279   2HG   ARG  38           HG1      ARG  38  -3.893   7.822  -3.505
  280   1HD   ARG  38           HD2      ARG  38  -2.570   9.069  -5.426
  281   2HD   ARG  38           HD1      ARG  38  -2.748  10.466  -4.367
  282    HE   ARG  38           HE       ARG  38  -1.589   9.095  -2.597
  283   1HH1  ARG  38          HH21      ARG  38  -1.942   6.707  -4.634
  284   2HH1  ARG  38          HH22      ARG  38  -0.282   6.446  -5.054
  285   1HH2  ARG  38          HH11      ARG  38   0.762   9.481  -3.647
  286   2HH2  ARG  38          HH12      ARG  38   1.290   8.058  -4.480
  287    H    LEU  39           HN       LEU  39  -6.107   6.443  -4.798
  288    HA   LEU  39           HA       LEU  39  -7.412   5.664  -2.244
  289   1HB   LEU  39           HB2      LEU  39  -8.003   4.579  -4.475
  290   2HB   LEU  39           HB1      LEU  39  -6.414   3.822  -4.419
  291    HG   LEU  39           HG       LEU  39  -7.272   3.242  -1.917
  292   1HD1  LEU  39          HD11      LEU  39  -9.490   4.410  -2.639
  293   2HD1  LEU  39          HD13      LEU  39  -9.781   2.941  -3.561
  294   3HD1  LEU  39          HD12      LEU  39  -9.599   2.859  -1.815
  295   1HD2  LEU  39          HD23      LEU  39  -7.731   1.788  -4.530
  296   2HD2  LEU  39          HD22      LEU  39  -6.451   1.523  -3.351
  297   3HD2  LEU  39          HD21      LEU  39  -8.104   1.043  -2.979
  298    H    THR  40           HN       THR  40  -6.213   5.194  -0.522
  299    HA   THR  40           HA       THR  40  -3.305   4.663  -0.905
  300    HB   THR  40           HB       THR  40  -3.070   5.319   1.465
  301    HG1  THR  40           HG1      THR  40  -5.706   5.977   1.740
  302   1HG2  THR  40          HG21      THR  40  -3.444   7.192  -0.251
  303   2HG2  THR  40          HG23      THR  40  -5.143   7.153   0.210
  304   3HG2  THR  40          HG22      THR  40  -3.920   7.593   1.397
  305    NH1  ARG  41           NH2      ARG  41   0.937  -3.427   2.868
  306    NH2  ARG  41           NH1      ARG  41   0.549  -4.949   1.209
  307    H    ARG  41           HN       ARG  41  -2.304   2.900   0.154
  308    HA   ARG  41           HA       ARG  41  -3.883   0.485   0.211
  309   1HB   ARG  41           HB2      ARG  41  -1.361   0.753  -0.279
  310   2HB   ARG  41           HB1      ARG  41  -1.158   0.774   1.469
  311   1HG   ARG  41           HG2      ARG  41  -2.806  -1.379   1.195
  312   2HG   ARG  41           HG1      ARG  41  -1.911  -1.472  -0.318
  313   1HD   ARG  41           HD2      ARG  41   0.224  -1.352   0.953
  314   2HD   ARG  41           HD1      ARG  41  -0.687  -1.304   2.460
  315    HE   ARG  41           HE       ARG  41  -1.591  -3.594   1.131
  316   1HH1  ARG  41          HH21      ARG  41   0.677  -2.578   3.328
  317   2HH1  ARG  41          HH22      ARG  41   1.723  -3.951   3.192
  318   1HH2  ARG  41          HH11      ARG  41  -0.001  -5.243   0.427
  319   2HH2  ARG  41          HH12      ARG  41   1.329  -5.500   1.506
  320    H    GLU  42           HN       GLU  42  -3.268   2.910   2.520
  321    HA   GLU  42           HA       GLU  42  -3.450   1.300   4.912
  322   1HB   GLU  42           HB2      GLU  42  -2.813   3.907   4.405
  323   2HB   GLU  42           HB1      GLU  42  -4.436   4.076   5.066
  324   1HG   GLU  42           HG2      GLU  42  -3.008   4.124   6.973
  325   2HG   GLU  42           HG1      GLU  42  -3.646   2.482   6.942
  326    H    ASP  43           HN       ASP  43  -5.730   2.255   2.593
  327    HA   ASP  43           HA       ASP  43  -8.004   2.035   4.490
  328   1HB   ASP  43           HB2      ASP  43  -7.819   2.843   1.583
  329   2HB   ASP  43           HB1      ASP  43  -9.354   2.638   2.423
  330    H    VAL  44           HN       VAL  44  -6.920   0.596   1.421
  331    HA   VAL  44           HA       VAL  44  -8.904  -1.420   1.255
  332    HB   VAL  44           HB       VAL  44  -6.084  -1.209   0.234
  333   1HG1  VAL  44          HG11      VAL  44  -7.921  -3.601   0.231
  334   2HG1  VAL  44          HG13      VAL  44  -6.802  -3.342  -1.105
  335   3HG1  VAL  44          HG12      VAL  44  -6.187  -3.546   0.533
  336   1HG2  VAL  44          HG21      VAL  44  -8.312  -0.082  -0.686
  337   2HG2  VAL  44          HG23      VAL  44  -7.121  -0.744  -1.800
  338   3HG2  VAL  44          HG22      VAL  44  -8.561  -1.674  -1.396
  339    H    GLU  45           HN       GLU  45  -5.889  -1.306   3.051
  340    HA   GLU  45           HA       GLU  45  -5.682  -4.034   3.792
  341   1HB   GLU  45           HB2      GLU  45  -4.000  -2.184   4.236
  342   2HB   GLU  45           HB1      GLU  45  -5.012  -1.696   5.590
  343   1HG   GLU  45           HG2      GLU  45  -3.360  -3.179   6.506
  344   2HG   GLU  45           HG1      GLU  45  -4.848  -4.117   6.413
  345    H    LYS  46           HN       LYS  46  -7.487  -1.390   5.296
  346    HA   LYS  46           HA       LYS  46  -8.458  -2.934   7.521
  347   1HB   LYS  46           HB2      LYS  46  -9.115  -0.318   6.265
  348   2HB   LYS  46           HB1      LYS  46 -10.349  -1.041   7.290
  349   1HG   LYS  46           HG2      LYS  46  -8.974  -0.998   9.196
  350   2HG   LYS  46           HG1      LYS  46  -7.495  -0.916   8.244
  351   1HD   LYS  46           HD2      LYS  46  -8.085   1.270   9.330
  352   2HD   LYS  46           HD1      LYS  46  -7.993   1.376   7.575
  353   1HE   LYS  46           HE2      LYS  46 -10.043   2.468   8.673
  354   2HE   LYS  46           HE1      LYS  46 -10.369   1.360   7.347
  355   1HZ   LYS  46           HZ3      LYS  46 -10.408   0.557  10.198
  356   2HZ   LYS  46           HZ2      LYS  46 -11.788   1.046   9.338
  357   3HZ   LYS  46           HZ1      LYS  46 -10.941  -0.347   8.862
  358    H    HIS  47           HN       HIS  47  -9.015  -3.384   4.324
  359    HA   HIS  47           HA       HIS  47 -11.875  -4.131   4.641
  360   1HB   HIS  47           HB2      HIS  47 -10.736  -2.862   2.594
  361   2HB   HIS  47           HB1      HIS  47 -10.414  -4.510   2.066
  362    HD1  HIS  47           HD1      HIS  47 -13.426  -2.918   3.570
  363    HD2  HIS  47           HD2      HIS  47 -12.450  -5.312   0.444
  364    HE1  HIS  47           HE1      HIS  47 -15.538  -3.414   2.483
  365    H    LEU  48           HN       LEU  48  -8.762  -5.547   3.703
  366    HA   LEU  48           HA       LEU  48  -9.857  -8.229   3.448
  367   1HB   LEU  48           HB2      LEU  48  -7.027  -7.178   3.644
  368   2HB   LEU  48           HB1      LEU  48  -7.407  -8.883   3.426
  369    HG   LEU  48           HG       LEU  48  -8.772  -6.980   1.585
  370   1HD1  LEU  48          HD11      LEU  48  -5.799  -7.576   1.524
  371   2HD1  LEU  48          HD13      LEU  48  -6.693  -7.047   0.104
  372   3HD1  LEU  48          HD12      LEU  48  -6.575  -5.996   1.512
  373   1HD2  LEU  48          HD23      LEU  48  -9.021  -9.487   1.542
  374   2HD2  LEU  48          HD22      LEU  48  -8.434  -8.820   0.024
  375   3HD2  LEU  48          HD21      LEU  48  -7.313  -9.605   1.132
  376    H    ALA  49           HN       ALA  49  -8.764  -6.287   6.053
  377    HA   ALA  49           HA       ALA  49  -7.993  -8.423   7.847
  378   1HB   ALA  49           HB1      ALA  49  -7.614  -5.783   7.941
  379   2HB   ALA  49           HB3      ALA  49  -9.080  -5.858   8.916
  380   3HB   ALA  49           HB2      ALA  49  -7.649  -6.758   9.407
  381    H    LYS  50           HN       LYS  50  -9.183  -9.129   9.724
  382    HA   LYS  50           HA       LYS  50 -11.879  -9.888   9.141
  383   1HB   LYS  50           HB2      LYS  50 -10.343  -9.854  11.750
  384   2HB   LYS  50           HB1      LYS  50 -11.931 -10.591  11.558
  385   1HG   LYS  50           HG2      LYS  50 -11.021 -12.052   9.765
  386   2HG   LYS  50           HG1      LYS  50  -9.432 -11.332   9.997
  387   1HD   LYS  50           HD2      LYS  50  -9.250 -12.214  12.216
  388   2HD   LYS  50           HD1      LYS  50 -10.956 -12.640  12.262
  389   1HE   LYS  50           HE2      LYS  50  -9.565 -14.641  11.849
  390   2HE   LYS  50           HE1      LYS  50 -10.595 -14.300  10.465
  391   1HZ   LYS  50           HZ2      LYS  50  -8.265 -12.872  10.066
  392   2HZ   LYS  50           HZ1      LYS  50  -7.778 -14.410  10.598
  393   3HZ   LYS  50           HZ3      LYS  50  -8.780 -14.261   9.235
  394    H    ALA  51           HN       ALA  51 -10.695  -6.919   9.982
  395    HA   ALA  51           HA       ALA  51 -12.340  -5.817  11.924
  396   1HB   ALA  51           HB3      ALA  51 -11.620  -4.565   9.260
  397   2HB   ALA  51           HB2      ALA  51 -12.188  -3.684  10.676
  398   3HB   ALA  51           HB1      ALA  51 -10.637  -4.517  10.720
   
 Raw file had 398 H/Q atoms
  Start of MODEL   54
    1    OH   TYR   1           OH       TYR   1  18.970   0.140 -16.130
    2   1H    TYR   1           HT1      TYR   1  15.776   5.525 -10.741
    3   2H    TYR   1           HT3      TYR   1  17.330   6.199 -10.855
    4   3H    TYR   1           HT2      TYR   1  16.349   6.090 -12.236
    5    HA   TYR   1           HA       TYR   1  16.482   3.726 -12.250
    6   1HB   TYR   1           HB2      TYR   1  18.552   5.340 -12.906
    7   2HB   TYR   1           HB1      TYR   1  19.328   4.343 -11.678
    8    HD1  TYR   1           HD2      TYR   1  18.939   1.756 -11.902
    9    HD2  TYR   1           HD1      TYR   1  18.356   4.503 -15.094
   10    HE1  TYR   1           HE2      TYR   1  19.137  -0.079 -13.516
   11    HE2  TYR   1           HE1      TYR   1  18.554   2.669 -16.709
   12    HH   TYR   1           HH       TYR   1  19.692   0.346 -16.727
   13    H    ALA   2           HN       ALA   2  16.413   1.942 -11.032
   14    HA   ALA   2           HA       ALA   2  17.217   2.172  -8.185
   15   1HB   ALA   2           HB3      ALA   2  15.527   0.183  -9.706
   16   2HB   ALA   2           HB2      ALA   2  16.005  -0.071  -8.030
   17   3HB   ALA   2           HB1      ALA   2  15.006   1.314  -8.461
   18    H    SER   3           HN       SER   3  19.023   1.259  -7.435
   19    HA   SER   3           HA       SER   3  20.092  -1.212  -8.562
   20   1HB   SER   3           HB2      SER   3  21.715   1.335  -8.883
   21   2HB   SER   3           HB1      SER   3  22.215  -0.301  -9.357
   22    HG   SER   3           HG1      SER   3  21.262   0.739 -11.124
   23    H    LEU   4           HN       LEU   4  22.638   0.627  -7.503
   24    HA   LEU   4           HA       LEU   4  23.263  -0.822  -5.229
   25   1HB   LEU   4           HB2      LEU   4  24.052   1.720  -6.352
   26   2HB   LEU   4           HB1      LEU   4  23.995   1.827  -4.595
   27    HG   LEU   4           HG       LEU   4  25.404  -0.395  -6.111
   28   1HD1  LEU   4          HD11      LEU   4  26.464   1.832  -6.484
   29   2HD1  LEU   4          HD13      LEU   4  26.562   2.059  -4.742
   30   3HD1  LEU   4          HD12      LEU   4  27.485   0.775  -5.516
   31   1HD2  LEU   4          HD23      LEU   4  24.575  -0.115  -3.410
   32   2HD2  LEU   4          HD22      LEU   4  25.634  -1.353  -4.076
   33   3HD2  LEU   4          HD21      LEU   4  26.318   0.132  -3.423
   34    H    GLU   5           HN       GLU   5  22.430  -1.037  -3.257
   35    HA   GLU   5           HA       GLU   5  19.943  -0.205  -2.414
   36   1HB   GLU   5           HB2      GLU   5  21.194  -1.784  -1.090
   37   2HB   GLU   5           HB1      GLU   5  22.430  -0.584  -0.734
   38   1HG   GLU   5           HG2      GLU   5  19.627   0.145  -0.026
   39   2HG   GLU   5           HG1      GLU   5  20.392  -1.098   0.961
   40    H    GLU   6           HN       GLU   6  19.051   1.546  -1.362
   41    HA   GLU   6           HA       GLU   6  20.793   3.894  -0.826
   42   1HB   GLU   6           HB2      GLU   6  19.797   3.980  -3.185
   43   2HB   GLU   6           HB1      GLU   6  18.233   4.174  -2.402
   44   1HG   GLU   6           HG2      GLU   6  19.289   6.114  -1.095
   45   2HG   GLU   6           HG1      GLU   6  20.636   6.008  -2.225
   46    H    GLN   7           HN       GLN   7  17.825   2.149  -0.372
   47    HA   GLN   7           HA       GLN   7  17.423   3.585   2.189
   48   1HB   GLN   7           HB2      GLN   7  16.019   4.508   0.118
   49   2HB   GLN   7           HB1      GLN   7  14.984   3.144   0.527
   50   1HG   GLN   7           HG2      GLN   7  14.978   3.961   2.918
   51   2HG   GLN   7           HG1      GLN   7  15.835   5.400   2.372
   52   1HE2  GLN   7          HE22      GLN   7  12.348   6.454   2.233
   53   2HE2  GLN   7          HE21      GLN   7  13.587   6.226   3.371
   54    H    ASN   8           HN       ASN   8  17.690   1.833   3.478
   55    HA   ASN   8           HA       ASN   8  16.827  -0.825   2.817
   56   1HB   ASN   8           HB2      ASN   8  18.442   0.230   4.739
   57   2HB   ASN   8           HB1      ASN   8  17.001  -0.133   5.686
   58   1HD2  ASN   8          HD22      ASN   8  18.007  -3.488   5.900
   59   2HD2  ASN   8          HD21      ASN   8  17.428  -2.101   6.691
   60    H    ASN   9           HN       ASN   9  15.418   1.689   4.888
   61    HA   ASN   9           HA       ASN   9  13.022   0.062   5.372
   62   1HB   ASN   9           HB2      ASN   9  13.434   2.981   6.046
   63   2HB   ASN   9           HB1      ASN   9  12.305   1.854   6.796
   64   1HD2  ASN   9          HD22      ASN   9  15.245   2.056   9.048
   65   2HD2  ASN   9          HD21      ASN   9  14.029   3.117   8.520
   66    H    ASP  10           HN       ASP  10  10.848   1.236   5.040
   67    HA   ASP  10           HA       ASP  10  10.721   3.013   2.715
   68   1HB   ASP  10           HB2      ASP  10   9.861   0.120   2.540
   69   2HB   ASP  10           HB1      ASP  10   9.260   1.356   1.438
   70    H    ALA  11           HN       ALA  11   8.167   2.852   1.981
   71    HA   ALA  11           HA       ALA  11   6.509   2.791   4.451
   72   1HB   ALA  11           HB3      ALA  11   7.182   5.173   2.806
   73   2HB   ALA  11           HB2      ALA  11   5.506   5.024   3.324
   74   3HB   ALA  11           HB1      ALA  11   6.797   5.066   4.520
   75    H    LEU  12           HN       LEU  12   5.868   4.112   1.230
   76    HA   LEU  12           HA       LEU  12   3.353   2.783   0.970
   77   1HB   LEU  12           HB2      LEU  12   5.103   3.685  -1.325
   78   2HB   LEU  12           HB1      LEU  12   3.348   3.567  -1.298
   79    HG   LEU  12           HG       LEU  12   5.035   5.469   0.364
   80   1HD1  LEU  12          HD12      LEU  12   4.798   6.071  -2.044
   81   2HD1  LEU  12          HD11      LEU  12   3.048   5.968  -1.881
   82   3HD1  LEU  12          HD13      LEU  12   3.945   7.203  -1.001
   83   1HD2  LEU  12          HD21      LEU  12   2.124   4.717   0.384
   84   2HD2  LEU  12          HD23      LEU  12   3.194   5.046   1.744
   85   3HD2  LEU  12          HD22      LEU  12   2.583   6.375   0.764
   86    H    SER  13           HN       SER  13   3.456   1.633  -1.592
   87    HA   SER  13           HA       SER  13   5.386  -0.579  -1.381
   88   1HB   SER  13           HB2      SER  13   3.500  -1.406  -0.074
   89   2HB   SER  13           HB1      SER  13   2.390  -1.021  -1.403
   90    HG   SER  13           HG1      SER  13   3.582  -2.425  -2.725
   91    HA   PRO  14           HA       PRO  14   5.214   0.184  -5.817
   92   1HB   PRO  14           HB2      PRO  14   6.284  -2.373  -6.509
   93   2HB   PRO  14           HB1      PRO  14   7.135  -0.827  -6.460
   94   1HG   PRO  14           HG2      PRO  14   7.333  -3.052  -4.583
   95   2HG   PRO  14           HG1      PRO  14   8.282  -1.566  -4.614
   96   1HD   PRO  14           HD1      PRO  14   6.223  -2.261  -2.746
   97   2HD   PRO  14           HD2      PRO  14   7.088  -0.715  -2.870
   98    H    ALA  15           HN       ALA  15   4.016  -2.711  -4.286
   99    HA   ALA  15           HA       ALA  15   2.506  -3.661  -6.579
  100   1HB   ALA  15           HB2      ALA  15   2.969  -4.483  -3.817
  101   2HB   ALA  15           HB1      ALA  15   1.299  -4.733  -4.317
  102   3HB   ALA  15           HB3      ALA  15   2.611  -5.469  -5.232
  103    H    ILE  16           HN       ILE  16   2.090  -1.062  -4.518
  104    HA   ILE  16           HA       ILE  16  -0.607  -0.940  -3.864
  105    HB   ILE  16           HB       ILE  16   1.080   0.858  -3.419
  106   1HG1  ILE  16          HG12      ILE  16  -1.471   1.756  -4.804
  107   2HG1  ILE  16          HG11      ILE  16  -1.344   1.273  -3.117
  108   1HG2  ILE  16          HG21      ILE  16   1.674   0.766  -6.021
  109   2HG2  ILE  16          HG23      ILE  16   0.461   2.039  -6.093
  110   3HG2  ILE  16          HG22      ILE  16   1.891   2.240  -5.086
  111   1HD1  ILE  16           HD2      ILE  16   0.473   3.102  -2.921
  112   2HD1  ILE  16           HD1      ILE  16  -0.131   3.693  -4.465
  113   3HD1  ILE  16           HD3      ILE  16  -1.195   3.647  -3.064
  114    NH1  ARG  17           NH2      ARG  17   2.251   4.006  -8.919
  115    NH2  ARG  17           NH1      ARG  17   2.422   4.335 -11.174
  116    H    ARG  17           HN       ARG  17   0.801  -0.998  -7.007
  117    HA   ARG  17           HA       ARG  17  -1.680  -0.070  -8.320
  118   1HB   ARG  17           HB2      ARG  17   0.606  -1.264  -9.838
  119   2HB   ARG  17           HB1      ARG  17  -0.438   0.085 -10.272
  120   1HG   ARG  17           HG2      ARG  17   0.630   1.362  -8.329
  121   2HG   ARG  17           HG1      ARG  17   1.819   0.068  -8.254
  122   1HD   ARG  17           HD2      ARG  17   2.939   1.367  -9.779
  123   2HD   ARG  17           HD1      ARG  17   1.842   0.607 -10.931
  124    HE   ARG  17           HE       ARG  17   0.391   2.626 -10.716
  125   1HH1  ARG  17          HH21      ARG  17   1.911   3.454  -8.157
  126   2HH1  ARG  17          HH22      ARG  17   2.784   4.833  -8.738
  127   1HH2  ARG  17          HH11      ARG  17   2.210   4.031 -12.101
  128   2HH2  ARG  17          HH12      ARG  17   2.958   5.167 -11.030
  129    NH1  ARG  18           NH1      ARG  18   2.421  -7.841 -10.215
  130    NH2  ARG  18           NH2      ARG  18   0.274  -8.620 -10.254
  131    H    ARG  18           HN       ARG  18   0.258  -3.025  -8.050
  132    HA   ARG  18           HA       ARG  18  -1.741  -4.581  -9.541
  133   1HB   ARG  18           HB2      ARG  18   0.778  -5.389  -8.070
  134   2HB   ARG  18           HB1      ARG  18  -0.228  -6.505  -8.982
  135   1HG   ARG  18           HG2      ARG  18   0.706  -3.981 -10.320
  136   2HG   ARG  18           HG1      ARG  18   1.848  -5.306 -10.135
  137   1HD   ARG  18           HD2      ARG  18  -0.863  -6.023 -11.165
  138   2HD   ARG  18           HD1      ARG  18   0.187  -5.123 -12.257
  139    HE   ARG  18           HE       ARG  18   1.225  -7.209 -12.593
  140   1HH1  ARG  18          HH11      ARG  18   3.116  -7.225 -10.586
  141   2HH1  ARG  18          HH12      ARG  18   2.654  -8.465  -9.469
  142   1HH2  ARG  18          HH21      ARG  18  -0.641  -8.587 -10.655
  143   2HH2  ARG  18          HH22      ARG  18   0.471  -9.256  -9.509
  144    H    LEU  19           HN       LEU  19  -1.749  -3.341  -6.550
  145    HA   LEU  19           HA       LEU  19  -2.495  -5.632  -4.944
  146   1HB   LEU  19           HB2      LEU  19  -1.658  -3.347  -4.127
  147   2HB   LEU  19           HB1      LEU  19  -3.299  -2.775  -4.403
  148    HG   LEU  19           HG       LEU  19  -3.871  -5.014  -3.019
  149   1HD1  LEU  19          HD11      LEU  19  -1.254  -5.299  -2.885
  150   2HD1  LEU  19          HD13      LEU  19  -1.375  -4.086  -1.614
  151   3HD1  LEU  19          HD12      LEU  19  -2.230  -5.617  -1.455
  152   1HD2  LEU  19          HD23      LEU  19  -3.053  -2.296  -1.949
  153   2HD2  LEU  19          HD22      LEU  19  -4.677  -2.842  -2.351
  154   3HD2  LEU  19          HD21      LEU  19  -3.843  -3.516  -0.956
  155    H    LEU  20           HN       LEU  20  -4.175  -3.517  -7.114
  156    HA   LEU  20           HA       LEU  20  -6.839  -4.202  -6.131
  157   1HB   LEU  20           HB2      LEU  20  -5.831  -2.783  -8.599
  158   2HB   LEU  20           HB1      LEU  20  -7.541  -3.102  -8.331
  159    HG   LEU  20           HG       LEU  20  -6.001  -1.856  -6.089
  160   1HD1  LEU  20          HD12      LEU  20  -6.915  -0.381  -8.583
  161   2HD1  LEU  20          HD11      LEU  20  -6.401   0.399  -7.089
  162   3HD1  LEU  20          HD13      LEU  20  -5.252  -0.549  -8.029
  163   1HD2  LEU  20          HD21      LEU  20  -8.404  -2.472  -5.891
  164   2HD2  LEU  20          HD23      LEU  20  -8.170  -0.732  -5.747
  165   3HD2  LEU  20          HD22      LEU  20  -8.774  -1.418  -7.252
  166    H    ALA  21           HN       ALA  21  -4.679  -5.316  -8.661
  167    HA   ALA  21           HA       ALA  21  -6.693  -7.080  -9.848
  168   1HB   ALA  21           HB3      ALA  21  -4.639  -5.983 -11.007
  169   2HB   ALA  21           HB2      ALA  21  -3.727  -7.315 -10.304
  170   3HB   ALA  21           HB1      ALA  21  -5.043  -7.644 -11.426
  171    H    GLU  22           HN       GLU  22  -4.602  -7.216  -7.185
  172    HA   GLU  22           HA       GLU  22  -4.219 -10.120  -7.216
  173   1HB   GLU  22           HB2      GLU  22  -2.753  -8.237  -6.091
  174   2HB   GLU  22           HB1      GLU  22  -3.873  -8.453  -4.750
  175   1HG   GLU  22           HG2      GLU  22  -3.395 -11.005  -5.076
  176   2HG   GLU  22           HG1      GLU  22  -1.972 -10.459  -5.960
  177    H    HIS  23           HN       HIS  23  -6.656  -7.954  -6.226
  178    HA   HIS  23           HA       HIS  23  -8.080 -10.192  -4.851
  179   1HB   HIS  23           HB2      HIS  23  -8.208  -7.325  -3.907
  180   2HB   HIS  23           HB1      HIS  23  -8.819  -8.760  -3.087
  181    HD1  HIS  23           HD1      HIS  23  -6.626 -10.525  -2.838
  182    HD2  HIS  23           HD2      HIS  23  -5.856  -6.542  -2.782
  183    HE1  HIS  23           HE1      HIS  23  -4.459 -10.325  -1.766
  184    H    ASN  24           HN       ASN  24  -8.065  -7.999  -7.307
  185    HA   ASN  24           HA       ASN  24  -9.736  -7.104  -8.701
  186   1HB   ASN  24           HB2      ASN  24 -10.075  -9.734  -8.623
  187   2HB   ASN  24           HB1      ASN  24 -11.576  -9.288  -7.817
  188   1HD2  ASN  24          HD22      ASN  24 -12.460  -7.211 -10.822
  189   2HD2  ASN  24          HD21      ASN  24 -12.134  -6.849  -9.196
  190    H    LEU  25           HN       LEU  25  -9.681  -5.988  -6.100
  191    HA   LEU  25           HA       LEU  25 -12.555  -5.691  -5.382
  192   1HB   LEU  25           HB2      LEU  25  -9.969  -5.217  -3.975
  193   2HB   LEU  25           HB1      LEU  25 -11.331  -4.199  -3.526
  194    HG   LEU  25           HG       LEU  25 -11.662  -7.194  -3.729
  195   1HD1  LEU  25          HD13      LEU  25 -10.697  -5.618  -1.315
  196   2HD1  LEU  25          HD12      LEU  25 -11.156  -7.319  -1.300
  197   3HD1  LEU  25          HD11      LEU  25  -9.748  -6.793  -2.217
  198   1HD2  LEU  25          HD21      LEU  25 -13.447  -5.149  -3.297
  199   2HD2  LEU  25          HD23      LEU  25 -13.682  -6.798  -2.729
  200   3HD2  LEU  25          HD22      LEU  25 -13.015  -5.581  -1.647
  201    H    ASP  26           HN       ASP  26 -13.582  -4.151  -6.499
  202    HA   ASP  26           HA       ASP  26 -12.295  -1.993  -7.866
  203   1HB   ASP  26           HB2      ASP  26 -14.775  -3.051  -7.973
  204   2HB   ASP  26           HB1      ASP  26 -15.112  -1.623  -6.997
  205    H    ALA  27           HN       ALA  27 -11.063  -0.616  -6.687
  206    HA   ALA  27           HA       ALA  27 -11.406   0.196  -4.031
  207   1HB   ALA  27           HB1      ALA  27  -9.866   1.070  -6.301
  208   2HB   ALA  27           HB3      ALA  27 -10.469   2.473  -5.424
  209   3HB   ALA  27           HB2      ALA  27  -9.504   1.259  -4.589
  210    H    SER  28           HN       SER  28 -13.200   1.123  -6.833
  211    HA   SER  28           HA       SER  28 -14.262   3.613  -6.142
  212   1HB   SER  28           HB2      SER  28 -14.813   2.411  -8.251
  213   2HB   SER  28           HB1      SER  28 -15.835   1.296  -7.324
  214    HG   SER  28           HG1      SER  28 -16.192   3.990  -7.911
  215    H    ALA  29           HN       ALA  29 -14.646   0.626  -4.518
  216    HA   ALA  29           HA       ALA  29 -17.050   1.560  -3.053
  217   1HB   ALA  29           HB1      ALA  29 -15.575  -1.053  -3.240
  218   2HB   ALA  29           HB3      ALA  29 -16.690  -0.758  -1.909
  219   3HB   ALA  29           HB2      ALA  29 -17.272  -0.717  -3.570
  220    H    ILE  30           HN       ILE  30 -13.755   0.426  -2.343
  221    HA   ILE  30           HA       ILE  30 -13.765   0.931   0.436
  222    HB   ILE  30           HB       ILE  30 -11.403   1.359  -1.413
  223   1HG1  ILE  30          HG12      ILE  30 -12.412  -0.770  -1.999
  224   2HG1  ILE  30          HG11      ILE  30 -10.972  -1.099  -1.049
  225   1HG2  ILE  30          HG23      ILE  30 -11.756   0.988   1.532
  226   2HG2  ILE  30          HG22      ILE  30 -10.394   0.163   0.794
  227   3HG2  ILE  30          HG21      ILE  30 -10.544   1.908   0.653
  228   1HD1  ILE  30           HD1      ILE  30 -12.615  -1.104   0.995
  229   2HD1  ILE  30           HD3      ILE  30 -13.869  -1.310  -0.223
  230   3HD1  ILE  30           HD2      ILE  30 -12.589  -2.508  -0.063
  231    H    LYS  31           HN       LYS  31 -12.155   2.726   1.344
  232    HA   LYS  31           HA       LYS  31 -12.661   5.327   0.003
  233   1HB   LYS  31           HB2      LYS  31 -14.532   5.024   1.563
  234   2HB   LYS  31           HB1      LYS  31 -13.402   4.718   2.876
  235   1HG   LYS  31           HG2      LYS  31 -13.011   6.930   3.175
  236   2HG   LYS  31           HG1      LYS  31 -12.773   7.191   1.451
  237   1HD   LYS  31           HD2      LYS  31 -15.191   7.293   1.092
  238   2HD   LYS  31           HD1      LYS  31 -15.486   6.900   2.782
  239   1HE   LYS  31           HE2      LYS  31 -15.677   9.342   2.366
  240   2HE   LYS  31           HE1      LYS  31 -14.367   8.976   3.482
  241   1HZ   LYS  31           HZ3      LYS  31 -14.039   9.433   0.570
  242   2HZ   LYS  31           HZ2      LYS  31 -13.729  10.583   1.780
  243   3HZ   LYS  31           HZ1      LYS  31 -12.794   9.168   1.694
  244    H    GLY  32           HN       GLY  32 -10.905   6.592   0.077
  245   1HA   GLY  32           HA2      GLY  32  -8.581   5.689   1.633
  246   2HA   GLY  32           HA1      GLY  32  -8.592   7.003   0.461
  247    H    THR  33           HN       THR  33  -7.290   7.343   2.841
  248    HA   THR  33           HA       THR  33  -9.004   9.397   4.165
  249    HB   THR  33           HB       THR  33  -7.870   8.649   6.379
  250    HG1  THR  33           HG1      THR  33  -7.338   6.293   6.005
  251   1HG2  THR  33          HG23      THR  33 -10.115   7.486   4.954
  252   2HG2  THR  33          HG22      THR  33  -9.269   6.228   5.849
  253   3HG2  THR  33          HG21      THR  33  -9.896   7.642   6.694
  254    H    GLY  34           HN       GLY  34  -6.609   9.204   2.235
  255   1HA   GLY  34           HA2      GLY  34  -4.519  10.598   3.780
  256   2HA   GLY  34           HA1      GLY  34  -4.415  10.143   2.082
  257    H    VAL  35           HN       VAL  35  -3.554  12.407   1.970
  258    HA   VAL  35           HA       VAL  35  -5.308  14.653   2.384
  259    HB   VAL  35           HB       VAL  35  -2.843  14.330   0.656
  260   1HG1  VAL  35          HG12      VAL  35  -4.702  16.626   1.141
  261   2HG1  VAL  35          HG11      VAL  35  -2.976  16.970   1.075
  262   3HG1  VAL  35          HG13      VAL  35  -3.778  16.224  -0.303
  263   1HG2  VAL  35          HG23      VAL  35  -2.839  14.160   3.279
  264   2HG2  VAL  35          HG22      VAL  35  -1.650  15.190   2.489
  265   3HG2  VAL  35          HG21      VAL  35  -3.088  15.902   3.214
  266    H    GLY  36           HN       GLY  36  -6.608  15.759   0.945
  267   1HA   GLY  36           HA2      GLY  36  -7.945  16.086  -0.961
  268   2HA   GLY  36           HA1      GLY  36  -6.729  15.193  -1.871
  269    H    GLY  37           HN       GLY  37  -7.430  13.173   0.542
  270   1HA   GLY  37           HA2      GLY  37  -8.991  11.414   0.852
  271   2HA   GLY  37           HA1      GLY  37 -10.007  12.143  -0.391
  272    NH1  ARG  38           NH1      ARG  38  -7.927   9.900  -6.332
  273    NH2  ARG  38           NH2      ARG  38  -6.033   9.050  -7.286
  274    H    ARG  38           HN       ARG  38  -6.625  11.066  -0.508
  275    HA   ARG  38           HA       ARG  38  -7.241   9.578  -2.989
  276   1HB   ARG  38           HB2      ARG  38  -4.678  10.325  -1.582
  277   2HB   ARG  38           HB1      ARG  38  -4.701   9.217  -2.950
  278   1HG   ARG  38           HG2      ARG  38  -6.247  11.716  -3.335
  279   2HG   ARG  38           HG1      ARG  38  -4.505  11.931  -3.200
  280   1HD   ARG  38           HD2      ARG  38  -5.323  11.523  -5.565
  281   2HD   ARG  38           HD1      ARG  38  -4.105  10.374  -5.016
  282    HE   ARG  38           HE       ARG  38  -6.228   8.934  -4.408
  283   1HH1  ARG  38          HH11      ARG  38  -8.394  10.253  -5.520
  284   2HH1  ARG  38          HH12      ARG  38  -8.415   9.842  -7.202
  285   1HH2  ARG  38          HH21      ARG  38  -5.079   8.765  -7.189
  286   2HH2  ARG  38          HH22      ARG  38  -6.488   8.977  -8.173
  287    H    LEU  39           HN       LEU  39  -6.521   7.362  -3.260
  288    HA   LEU  39           HA       LEU  39  -7.156   5.743  -0.902
  289   1HB   LEU  39           HB2      LEU  39  -7.874   5.223  -3.293
  290   2HB   LEU  39           HB1      LEU  39  -6.206   4.749  -3.593
  291    HG   LEU  39           HG       LEU  39  -6.652   3.367  -1.310
  292   1HD1  LEU  39          HD11      LEU  39  -9.050   4.273  -1.347
  293   2HD1  LEU  39          HD13      LEU  39  -9.309   3.254  -2.760
  294   3HD1  LEU  39          HD12      LEU  39  -8.895   2.524  -1.212
  295   1HD2  LEU  39          HD23      LEU  39  -7.250   2.648  -4.187
  296   2HD2  LEU  39          HD22      LEU  39  -5.812   2.261  -3.246
  297   3HD2  LEU  39          HD21      LEU  39  -7.335   1.448  -2.902
  298    H    THR  40           HN       THR  40  -5.674   5.170   0.550
  299    HA   THR  40           HA       THR  40  -2.806   5.221  -0.214
  300    HB   THR  40           HB       THR  40  -2.340   5.345   2.152
  301    HG1  THR  40           HG1      THR  40  -3.537   3.970   3.231
  302   1HG2  THR  40          HG23      THR  40  -3.930   7.257   1.078
  303   2HG2  THR  40          HG22      THR  40  -5.056   6.600   2.262
  304   3HG2  THR  40          HG21      THR  40  -3.510   7.261   2.788
  305    NH1  ARG  41           NH1      ARG  41   3.047  -1.334   2.616
  306    NH2  ARG  41           NH2      ARG  41   1.997  -1.837   4.581
  307    H    ARG  41           HN       ARG  41  -2.427   3.357   2.187
  308    HA   ARG  41           HA       ARG  41  -3.041   0.787   0.770
  309   1HB   ARG  41           HB2      ARG  41  -0.652   1.331   0.575
  310   2HB   ARG  41           HB1      ARG  41  -0.542   1.504   2.323
  311   1HG   ARG  41           HG2      ARG  41  -1.759  -1.039   1.501
  312   2HG   ARG  41           HG1      ARG  41  -0.108  -0.848   0.919
  313   1HD   ARG  41           HD2      ARG  41  -0.903  -0.323   3.798
  314   2HD   ARG  41           HD1      ARG  41  -0.317  -1.888   3.238
  315    HE   ARG  41           HE       ARG  41   1.316   0.611   3.013
  316   1HH1  ARG  41          HH11      ARG  41   3.064  -0.811   1.763
  317   2HH1  ARG  41          HH12      ARG  41   3.785  -1.976   2.823
  318   1HH2  ARG  41          HH21      ARG  41   1.227  -1.692   5.202
  319   2HH2  ARG  41          HH22      ARG  41   2.718  -2.487   4.822
  320    H    GLU  42           HN       GLU  42  -2.948   2.566   3.730
  321    HA   GLU  42           HA       GLU  42  -3.376   0.230   5.440
  322   1HB   GLU  42           HB2      GLU  42  -2.327   2.568   6.035
  323   2HB   GLU  42           HB1      GLU  42  -4.003   3.036   6.295
  324   1HG   GLU  42           HG2      GLU  42  -4.120   0.805   7.690
  325   2HG   GLU  42           HG1      GLU  42  -2.367   0.974   7.756
  326    H    ASP  43           HN       ASP  43  -5.285   1.728   3.249
  327    HA   ASP  43           HA       ASP  43  -7.772   1.578   4.859
  328   1HB   ASP  43           HB2      ASP  43  -7.158   2.610   2.087
  329   2HB   ASP  43           HB1      ASP  43  -8.805   2.456   2.692
  330    H    VAL  44           HN       VAL  44  -6.635   0.391   1.696
  331    HA   VAL  44           HA       VAL  44  -8.733  -1.488   1.305
  332    HB   VAL  44           HB       VAL  44  -5.903  -1.904   0.340
  333   1HG1  VAL  44          HG13      VAL  44  -7.734  -3.608  -0.101
  334   2HG1  VAL  44          HG12      VAL  44  -8.582  -2.362  -1.010
  335   3HG1  VAL  44          HG11      VAL  44  -7.006  -2.930  -1.554
  336   1HG2  VAL  44          HG23      VAL  44  -7.999   0.080  -0.588
  337   2HG2  VAL  44          HG22      VAL  44  -6.340   0.419  -0.105
  338   3HG2  VAL  44          HG21      VAL  44  -6.661  -0.437  -1.610
  339    H    GLU  45           HN       GLU  45  -5.601  -1.811   2.902
  340    HA   GLU  45           HA       GLU  45  -5.685  -4.618   3.359
  341   1HB   GLU  45           HB2      GLU  45  -3.615  -3.597   3.800
  342   2HB   GLU  45           HB1      GLU  45  -4.345  -2.324   4.769
  343   1HG   GLU  45           HG2      GLU  45  -4.657  -3.735   6.623
  344   2HG   GLU  45           HG1      GLU  45  -4.588  -5.198   5.642
  345    H    LYS  46           HN       LYS  46  -6.709  -1.940   5.466
  346    HA   LYS  46           HA       LYS  46  -7.696  -3.535   7.598
  347   1HB   LYS  46           HB2      LYS  46  -7.453  -1.190   7.968
  348   2HB   LYS  46           HB1      LYS  46  -8.487  -0.797   6.599
  349   1HG   LYS  46           HG2      LYS  46 -10.445  -1.501   7.723
  350   2HG   LYS  46           HG1      LYS  46  -9.538  -2.439   8.903
  351   1HD   LYS  46           HD2      LYS  46 -10.373  -0.329   9.897
  352   2HD   LYS  46           HD1      LYS  46  -8.613  -0.355   9.858
  353   1HE   LYS  46           HE2      LYS  46  -8.516   1.136   8.022
  354   2HE   LYS  46           HE1      LYS  46 -10.197   0.852   7.588
  355   1HZ   LYS  46           HZ1      LYS  46 -10.250   1.795  10.169
  356   2HZ   LYS  46           HZ3      LYS  46  -9.105   2.763   9.373
  357   3HZ   LYS  46           HZ2      LYS  46 -10.685   2.640   8.762
  358    H    HIS  47           HN       HIS  47  -8.868  -3.159   4.434
  359    HA   HIS  47           HA       HIS  47 -11.632  -3.942   5.182
  360   1HB   HIS  47           HB2      HIS  47 -11.768  -2.339   3.500
  361   2HB   HIS  47           HB1      HIS  47 -10.320  -2.925   2.686
  362    HD1  HIS  47           HD1      HIS  47 -13.893  -3.459   2.797
  363    HD2  HIS  47           HD2      HIS  47 -10.695  -5.320   1.132
  364    HE1  HIS  47           HE1      HIS  47 -14.841  -5.003   1.181
  365    H    LEU  48           HN       LEU  48  -8.697  -5.355   4.272
  366    HA   LEU  48           HA       LEU  48  -9.901  -7.684   2.939
  367   1HB   LEU  48           HB2      LEU  48  -7.118  -6.812   3.624
  368   2HB   LEU  48           HB1      LEU  48  -7.416  -8.507   3.260
  369    HG   LEU  48           HG       LEU  48  -8.559  -6.423   1.427
  370   1HD1  LEU  48          HD12      LEU  48  -5.664  -7.129   1.781
  371   2HD1  LEU  48          HD11      LEU  48  -6.270  -6.877   0.147
  372   3HD1  LEU  48          HD13      LEU  48  -6.387  -5.586   1.338
  373   1HD2  LEU  48          HD21      LEU  48  -8.777  -9.083   1.425
  374   2HD2  LEU  48          HD23      LEU  48  -8.635  -8.187  -0.085
  375   3HD2  LEU  48          HD22      LEU  48  -7.221  -8.976   0.606
  376    H    ALA  49           HN       ALA  49  -7.357  -8.233   5.203
  377    HA   ALA  49           HA       ALA  49  -8.685 -10.397   6.487
  378   1HB   ALA  49           HB2      ALA  49  -6.204  -8.846   6.924
  379   2HB   ALA  49           HB1      ALA  49  -6.844  -9.660   8.349
  380   3HB   ALA  49           HB3      ALA  49  -6.450 -10.589   6.905
  381    H    LYS  50           HN       LYS  50  -9.426 -10.552   8.697
  382    HA   LYS  50           HA       LYS  50 -10.917  -8.120   9.500
  383   1HB   LYS  50           HB2      LYS  50 -12.064 -10.347   9.314
  384   2HB   LYS  50           HB1      LYS  50 -11.073 -10.917  10.652
  385   1HG   LYS  50           HG2      LYS  50 -12.567 -10.019  12.087
  386   2HG   LYS  50           HG1      LYS  50 -12.152  -8.424  11.471
  387   1HD   LYS  50           HD2      LYS  50 -14.544  -8.734  11.193
  388   2HD   LYS  50           HD1      LYS  50 -13.802  -8.796   9.598
  389   1HE   LYS  50           HE2      LYS  50 -13.706 -11.439  10.602
  390   2HE   LYS  50           HE1      LYS  50 -15.319 -10.842  10.971
  391   1HZ   LYS  50           HZ1      LYS  50 -14.450 -10.135   8.338
  392   2HZ   LYS  50           HZ3      LYS  50 -14.493 -11.816   8.581
  393   3HZ   LYS  50           HZ2      LYS  50 -15.888 -10.884   8.843
  394    H    ALA  51           HN       ALA  51  -8.320 -10.184  10.565
  395    HA   ALA  51           HA       ALA  51  -8.182  -9.437  13.298
  396   1HB   ALA  51           HB3      ALA  51  -6.763 -11.137  11.814
  397   2HB   ALA  51           HB2      ALA  51  -5.645  -9.778  11.761
  398   3HB   ALA  51           HB1      ALA  51  -6.115 -10.470  13.310
   
 Raw file had 398 H/Q atoms
  Start of MODEL   55
    1    OH   TYR   1           OH       TYR   1  28.904   5.508  -8.059
    2   1H    TYR   1           HT3      TYR   1  34.000   4.685  -1.413
    3   2H    TYR   1           HT2      TYR   1  34.342   3.488  -2.569
    4   3H    TYR   1           HT1      TYR   1  34.648   5.121  -2.922
    5    HA   TYR   1           HA       TYR   1  32.540   5.559  -3.468
    6   1HB   TYR   1           HB2      TYR   1  33.266   3.157  -4.443
    7   2HB   TYR   1           HB1      TYR   1  31.862   2.662  -3.499
    8    HD1  TYR   1           HD2      TYR   1  32.874   5.370  -5.889
    9    HD2  TYR   1           HD1      TYR   1  29.759   2.816  -4.521
   10    HE1  TYR   1           HE2      TYR   1  31.394   6.238  -7.639
   11    HE2  TYR   1           HE1      TYR   1  28.279   3.685  -6.272
   12    HH   TYR   1           HH       TYR   1  29.299   5.304  -8.909
   13    H    ALA   2           HN       ALA   2  30.131   4.964  -3.090
   14    HA   ALA   2           HA       ALA   2  29.755   4.921  -0.151
   15   1HB   ALA   2           HB2      ALA   2  27.965   5.658  -2.469
   16   2HB   ALA   2           HB1      ALA   2  27.358   5.528  -0.821
   17   3HB   ALA   2           HB3      ALA   2  28.600   6.714  -1.211
   18    H    SER   3           HN       SER   3  28.528   3.400   0.919
   19    HA   SER   3           HA       SER   3  28.341   0.782  -0.304
   20   1HB   SER   3           HB2      SER   3  27.931   1.948   2.363
   21   2HB   SER   3           HB1      SER   3  26.818   0.616   1.993
   22    HG   SER   3           HG1      SER   3  28.743  -0.469   1.126
   23    H    LEU   4           HN       LEU   4  26.412  -0.442  -0.658
   24    HA   LEU   4           HA       LEU   4  24.176   1.258  -1.608
   25   1HB   LEU   4           HB2      LEU   4  24.491  -1.727  -1.958
   26   2HB   LEU   4           HB1      LEU   4  23.483  -0.633  -2.900
   27    HG   LEU   4           HG       LEU   4  26.001   0.505  -3.130
   28   1HD1  LEU   4          HD11      LEU   4  26.846  -1.656  -2.040
   29   2HD1  LEU   4          HD13      LEU   4  26.321  -2.485  -3.502
   30   3HD1  LEU   4          HD12      LEU   4  27.571  -1.249  -3.591
   31   1HD2  LEU   4          HD22      LEU   4  24.486  -1.443  -4.890
   32   2HD2  LEU   4          HD21      LEU   4  24.484   0.315  -4.988
   33   3HD2  LEU   4          HD23      LEU   4  25.926  -0.589  -5.437
   34    H    GLU   5           HN       GLU   5  24.832   0.334   1.273
   35    HA   GLU   5           HA       GLU   5  22.016  -0.317   1.935
   36   1HB   GLU   5           HB2      GLU   5  22.770  -2.109   3.508
   37   2HB   GLU   5           HB1      GLU   5  23.071  -2.505   1.818
   38   1HG   GLU   5           HG2      GLU   5  25.330  -1.038   2.786
   39   2HG   GLU   5           HG1      GLU   5  24.976  -2.313   3.950
   40    H    GLU   6           HN       GLU   6  23.305   2.116   2.260
   41    HA   GLU   6           HA       GLU   6  24.492   2.428   4.865
   42   1HB   GLU   6           HB2      GLU   6  23.143   4.391   3.002
   43   2HB   GLU   6           HB1      GLU   6  23.919   4.869   4.507
   44   1HG   GLU   6           HG2      GLU   6  25.511   3.121   2.693
   45   2HG   GLU   6           HG1      GLU   6  25.252   4.779   2.157
   46    H    GLN   7           HN       GLN   7  21.193   2.756   3.646
   47    HA   GLN   7           HA       GLN   7  20.063   2.137   6.235
   48   1HB   GLN   7           HB2      GLN   7  20.861   4.724   6.111
   49   2HB   GLN   7           HB1      GLN   7  19.235   4.873   5.454
   50   1HG   GLN   7           HG2      GLN   7  18.384   3.576   7.441
   51   2HG   GLN   7           HG1      GLN   7  20.010   3.634   8.116
   52   1HE2  GLN   7          HE22      GLN   7  19.856   7.145   8.840
   53   2HE2  GLN   7          HE21      GLN   7  20.930   5.887   8.462
   54    H    ASN   8           HN       ASN   8  17.658   2.317   6.197
   55    HA   ASN   8           HA       ASN   8  16.217   2.867   3.788
   56   1HB   ASN   8           HB2      ASN   8  15.716   0.214   3.561
   57   2HB   ASN   8           HB1      ASN   8  16.945   1.045   2.610
   58   1HD2  ASN   8          HD22      ASN   8  18.445  -0.734   5.991
   59   2HD2  ASN   8          HD21      ASN   8  17.093   0.285   6.106
   60    H    ASN   9           HN       ASN   9  14.476   3.589   4.869
   61    HA   ASN   9           HA       ASN   9  13.442   2.047   7.176
   62   1HB   ASN   9           HB2      ASN   9  12.455   4.666   6.014
   63   2HB   ASN   9           HB1      ASN   9  12.001   3.974   7.568
   64   1HD2  ASN   9          HD22      ASN   9  15.890   5.286   7.196
   65   2HD2  ASN   9          HD21      ASN   9  15.137   4.549   5.865
   66    H    ASP  10           HN       ASP  10  10.778   2.467   7.092
   67    HA   ASP  10           HA       ASP  10   9.956   0.642   4.929
   68   1HB   ASP  10           HB2      ASP  10   8.040   1.809   6.915
   69   2HB   ASP  10           HB1      ASP  10   8.068   0.194   6.213
   70    H    ALA  11           HN       ALA  11   8.033   1.094   3.635
   71    HA   ALA  11           HA       ALA  11   6.945   3.755   3.426
   72   1HB   ALA  11           HB3      ALA  11   9.368   3.919   2.481
   73   2HB   ALA  11           HB2      ALA  11   8.712   3.056   1.094
   74   3HB   ALA  11           HB1      ALA  11   8.054   4.625   1.548
   75    H    LEU  12           HN       LEU  12   5.956   3.938   1.014
   76    HA   LEU  12           HA       LEU  12   3.870   2.129   0.790
   77   1HB   LEU  12           HB2      LEU  12   5.341   3.520  -1.462
   78   2HB   LEU  12           HB1      LEU  12   3.769   2.750  -1.631
   79    HG   LEU  12           HG       LEU  12   4.052   4.672   0.624
   80   1HD1  LEU  12          HD13      LEU  12   4.236   5.419  -2.292
   81   2HD1  LEU  12          HD12      LEU  12   3.451   6.505  -1.149
   82   3HD1  LEU  12          HD11      LEU  12   5.143   6.069  -0.930
   83   1HD2  LEU  12          HD21      LEU  12   1.954   3.393  -0.055
   84   2HD2  LEU  12          HD23      LEU  12   1.755   5.138   0.063
   85   3HD2  LEU  12          HD22      LEU  12   1.922   4.377  -1.515
   86    H    SER  13           HN       SER  13   3.471   0.267  -0.512
   87    HA   SER  13           HA       SER  13   5.878  -1.404  -0.818
   88   1HB   SER  13           HB2      SER  13   4.512  -3.221  -0.431
   89   2HB   SER  13           HB1      SER  13   3.410  -1.985   0.212
   90    HG   SER  13           HG1      SER  13   2.183  -2.668  -1.375
   91    HA   PRO  14           HA       PRO  14   5.946  -1.076  -5.247
   92   1HB   PRO  14           HB2      PRO  14   6.470  -3.801  -5.843
   93   2HB   PRO  14           HB1      PRO  14   7.650  -2.499  -5.691
   94   1HG   PRO  14           HG2      PRO  14   7.101  -4.690  -3.819
   95   2HG   PRO  14           HG1      PRO  14   8.429  -3.531  -3.790
   96   1HD   PRO  14           HD1      PRO  14   6.170  -3.571  -2.047
   97   2HD   PRO  14           HD2      PRO  14   7.405  -2.303  -2.173
   98    H    ALA  15           HN       ALA  15   4.372  -4.030  -4.061
   99    HA   ALA  15           HA       ALA  15   2.723  -4.490  -6.339
  100   1HB   ALA  15           HB3      ALA  15   3.195  -5.797  -3.974
  101   2HB   ALA  15           HB2      ALA  15   1.539  -5.241  -3.757
  102   3HB   ALA  15           HB1      ALA  15   1.954  -6.250  -5.139
  103    H    ILE  16           HN       ILE  16   2.548  -2.039  -3.985
  104    HA   ILE  16           HA       ILE  16  -0.155  -1.552  -3.575
  105    HB   ILE  16           HB       ILE  16   1.803  -0.124  -2.806
  106   1HG1  ILE  16          HG12      ILE  16  -0.598   1.279  -4.029
  107   2HG1  ILE  16          HG11      ILE  16  -0.561   0.517  -2.444
  108   1HG2  ILE  16          HG21      ILE  16   2.356   0.136  -5.445
  109   2HG2  ILE  16          HG23      ILE  16   1.404   1.596  -5.198
  110   3HG2  ILE  16          HG22      ILE  16   2.858   1.323  -4.244
  111   1HD1  ILE  16           HD2      ILE  16   1.506   2.078  -2.025
  112   2HD1  ILE  16           HD1      ILE  16   0.861   3.006  -3.376
  113   3HD1  ILE  16           HD3      ILE  16  -0.112   2.767  -1.927
  114    NH1  ARG  17           NH2      ARG  17   3.267   1.236 -11.992
  115    NH2  ARG  17           NH1      ARG  17   4.959   2.044 -10.684
  116    H    ARG  17           HN       ARG  17   1.516  -1.564  -6.562
  117    HA   ARG  17           HA       ARG  17  -0.639  -0.065  -7.943
  118   1HB   ARG  17           HB2      ARG  17   1.969  -1.242  -8.933
  119   2HB   ARG  17           HB1      ARG  17   0.820  -0.391  -9.959
  120   1HG   ARG  17           HG2      ARG  17   1.417   1.648  -9.134
  121   2HG   ARG  17           HG1      ARG  17   1.505   1.054  -7.480
  122   1HD   ARG  17           HD2      ARG  17   3.738   1.768  -8.431
  123   2HD   ARG  17           HD1      ARG  17   3.704   0.095  -7.879
  124    HE   ARG  17           HE       ARG  17   3.714  -0.626 -10.186
  125   1HH1  ARG  17          HH21      ARG  17   2.521   0.583 -12.119
  126   2HH1  ARG  17          HH22      ARG  17   3.474   1.905 -12.705
  127   1HH2  ARG  17          HH11      ARG  17   5.479   1.998  -9.832
  128   2HH2  ARG  17          HH12      ARG  17   5.193   2.727 -11.376
  129    NH1  ARG  18           NH1      ARG  18   3.759  -7.144 -13.057
  130    NH2  ARG  18           NH2      ARG  18   5.019  -5.276 -12.676
  131    H    ARG  18           HN       ARG  18   0.773  -3.293  -7.783
  132    HA   ARG  18           HA       ARG  18  -1.311  -4.307  -9.641
  133   1HB   ARG  18           HB2      ARG  18   1.085  -5.684  -8.403
  134   2HB   ARG  18           HB1      ARG  18  -0.007  -6.412  -9.576
  135   1HG   ARG  18           HG2      ARG  18   0.549  -4.367 -11.069
  136   2HG   ARG  18           HG1      ARG  18   1.900  -4.102  -9.973
  137   1HD   ARG  18           HD2      ARG  18   2.687  -6.421 -10.404
  138   2HD   ARG  18           HD1      ARG  18   1.351  -6.655 -11.530
  139    HE   ARG  18           HE       ARG  18   2.565  -4.424 -12.548
  140   1HH1  ARG  18          HH11      ARG  18   2.869  -7.600 -13.016
  141   2HH1  ARG  18          HH12      ARG  18   4.556  -7.632 -13.413
  142   1HH2  ARG  18          HH21      ARG  18   5.074  -4.333 -12.351
  143   2HH2  ARG  18          HH22      ARG  18   5.837  -5.733 -13.026
  144    H    LEU  19           HN       LEU  19  -1.242  -3.617  -6.504
  145    HA   LEU  19           HA       LEU  19  -2.127  -6.083  -5.280
  146   1HB   LEU  19           HB2      LEU  19  -1.197  -3.997  -4.110
  147   2HB   LEU  19           HB1      LEU  19  -2.804  -3.307  -4.308
  148    HG   LEU  19           HG       LEU  19  -3.482  -5.725  -3.299
  149   1HD1  LEU  19          HD13      LEU  19  -1.073  -6.374  -3.100
  150   2HD1  LEU  19          HD12      LEU  19  -0.827  -5.020  -2.003
  151   3HD1  LEU  19          HD11      LEU  19  -1.889  -6.346  -1.540
  152   1HD2  LEU  19          HD21      LEU  19  -2.591  -3.287  -1.721
  153   2HD2  LEU  19          HD23      LEU  19  -4.192  -3.549  -2.404
  154   3HD2  LEU  19          HD22      LEU  19  -3.619  -4.571  -1.091
  155    H    LEU  20           HN       LEU  20  -3.670  -3.599  -7.127
  156    HA   LEU  20           HA       LEU  20  -6.380  -4.350  -6.287
  157   1HB   LEU  20           HB2      LEU  20  -5.212  -2.398  -8.242
  158   2HB   LEU  20           HB1      LEU  20  -6.918  -2.816  -8.349
  159    HG   LEU  20           HG       LEU  20  -5.843  -2.157  -5.640
  160   1HD1  LEU  20          HD11      LEU  20  -6.160  -0.203  -7.921
  161   2HD1  LEU  20          HD13      LEU  20  -6.417   0.309  -6.256
  162   3HD1  LEU  20          HD12      LEU  20  -4.848  -0.318  -6.752
  163   1HD2  LEU  20          HD23      LEU  20  -8.211  -2.824  -6.049
  164   2HD2  LEU  20          HD22      LEU  20  -8.094  -1.185  -5.413
  165   3HD2  LEU  20          HD21      LEU  20  -8.396  -1.445  -7.129
  166    H    ALA  21           HN       ALA  21  -4.265  -4.870  -9.056
  167    HA   ALA  21           HA       ALA  21  -6.302  -6.319 -10.565
  168   1HB   ALA  21           HB3      ALA  21  -3.312  -6.031 -10.939
  169   2HB   ALA  21           HB2      ALA  21  -4.363  -6.882 -12.067
  170   3HB   ALA  21           HB1      ALA  21  -4.575  -5.154 -11.797
  171    H    GLU  22           HN       GLU  22  -4.616  -7.088  -7.859
  172    HA   GLU  22           HA       GLU  22  -4.172  -9.930  -8.594
  173   1HB   GLU  22           HB2      GLU  22  -2.478  -8.568  -7.261
  174   2HB   GLU  22           HB1      GLU  22  -3.620  -8.623  -5.925
  175   1HG   GLU  22           HG2      GLU  22  -2.193 -10.493  -5.562
  176   2HG   GLU  22           HG1      GLU  22  -3.642 -11.184  -6.287
  177    H    HIS  23           HN       HIS  23  -5.992  -7.962  -6.273
  178    HA   HIS  23           HA       HIS  23  -7.618 -10.369  -5.577
  179   1HB   HIS  23           HB2      HIS  23  -7.877  -7.761  -4.130
  180   2HB   HIS  23           HB1      HIS  23  -8.046  -9.402  -3.512
  181    HD1  HIS  23           HD1      HIS  23  -5.500 -10.627  -4.035
  182    HD2  HIS  23           HD2      HIS  23  -5.610  -6.687  -3.074
  183    HE1  HIS  23           HE1      HIS  23  -3.268 -10.121  -3.227
  184    H    ASN  24           HN       ASN  24  -7.685  -7.473  -7.353
  185    HA   ASN  24           HA       ASN  24  -9.427  -6.333  -8.453
  186   1HB   ASN  24           HB2      ASN  24 -10.358  -9.190  -8.339
  187   2HB   ASN  24           HB1      ASN  24 -11.390  -7.949  -9.047
  188   1HD2  ASN  24          HD22      ASN  24  -8.077  -9.221 -11.038
  189   2HD2  ASN  24          HD21      ASN  24  -8.431  -9.791  -9.479
  190    H    LEU  25           HN       LEU  25  -9.523  -5.453  -6.046
  191    HA   LEU  25           HA       LEU  25 -12.095  -6.092  -4.744
  192   1HB   LEU  25           HB2      LEU  25  -9.655  -4.533  -4.020
  193   2HB   LEU  25           HB1      LEU  25 -11.170  -4.098  -3.238
  194    HG   LEU  25           HG       LEU  25 -10.388  -6.997  -3.394
  195   1HD1  LEU  25          HD11      LEU  25  -9.189  -4.863  -1.633
  196   2HD1  LEU  25          HD13      LEU  25  -9.376  -6.505  -1.024
  197   3HD1  LEU  25          HD12      LEU  25  -8.384  -6.201  -2.446
  198   1HD2  LEU  25          HD21      LEU  25 -12.601  -5.796  -2.466
  199   2HD2  LEU  25          HD23      LEU  25 -11.942  -7.233  -1.692
  200   3HD2  LEU  25          HD22      LEU  25 -11.605  -5.640  -1.023
  201    H    ASP  26           HN       ASP  26 -13.510  -4.254  -4.077
  202    HA   ASP  26           HA       ASP  26 -13.910  -2.461  -6.404
  203   1HB   ASP  26           HB2      ASP  26 -16.057  -1.932  -4.939
  204   2HB   ASP  26           HB1      ASP  26 -15.963  -3.413  -5.888
  205    H    ALA  27           HN       ALA  27 -11.995  -1.180  -5.749
  206    HA   ALA  27           HA       ALA  27 -11.703   0.239  -3.349
  207   1HB   ALA  27           HB1      ALA  27 -10.920   0.749  -6.182
  208   2HB   ALA  27           HB3      ALA  27 -10.784   2.089  -5.047
  209   3HB   ALA  27           HB2      ALA  27  -9.905   0.592  -4.750
  210    H    SER  28           HN       SER  28 -13.906   0.807  -5.998
  211    HA   SER  28           HA       SER  28 -14.694   3.467  -5.438
  212   1HB   SER  28           HB2      SER  28 -16.000   1.114  -6.744
  213   2HB   SER  28           HB1      SER  28 -17.017   2.507  -6.328
  214    HG   SER  28           HG1      SER  28 -15.073   3.718  -7.228
  215    H    ALA  29           HN       ALA  29 -15.545   0.456  -3.874
  216    HA   ALA  29           HA       ALA  29 -17.693   1.618  -2.282
  217   1HB   ALA  29           HB3      ALA  29 -16.167  -0.986  -2.069
  218   2HB   ALA  29           HB2      ALA  29 -17.505  -0.554  -1.008
  219   3HB   ALA  29           HB1      ALA  29 -17.779  -0.749  -2.737
  220    H    ILE  30           HN       ILE  30 -14.293   0.815  -1.761
  221    HA   ILE  30           HA       ILE  30 -14.308   1.605   1.030
  222    HB   ILE  30           HB       ILE  30 -11.982   1.340  -0.890
  223   1HG1  ILE  30          HG12      ILE  30 -13.535  -0.710  -0.497
  224   2HG1  ILE  30          HG11      ILE  30 -11.809  -0.938  -0.292
  225   1HG2  ILE  30          HG23      ILE  30 -12.205   1.900   2.028
  226   2HG2  ILE  30          HG22      ILE  30 -10.946   0.771   1.538
  227   3HG2  ILE  30          HG21      ILE  30 -10.973   2.399   0.878
  228   1HD1  ILE  30           HD1      ILE  30 -13.316  -0.119   2.154
  229   2HD1  ILE  30           HD3      ILE  30 -13.619  -1.739   1.555
  230   3HD1  ILE  30           HD2      ILE  30 -11.986  -1.253   1.985
  231    H    LYS  31           HN       LYS  31 -13.405   3.490   1.943
  232    HA   LYS  31           HA       LYS  31 -13.743   5.874   0.244
  233   1HB   LYS  31           HB2      LYS  31 -13.041   5.667   3.183
  234   2HB   LYS  31           HB1      LYS  31 -13.538   7.127   2.335
  235   1HG   LYS  31           HG2      LYS  31 -15.709   6.053   1.783
  236   2HG   LYS  31           HG1      LYS  31 -15.210   4.613   2.664
  237   1HD   LYS  31           HD2      LYS  31 -15.785   5.548   4.639
  238   2HD   LYS  31           HD1      LYS  31 -14.823   6.981   4.295
  239   1HE   LYS  31           HE2      LYS  31 -17.271   7.475   4.581
  240   2HE   LYS  31           HE1      LYS  31 -16.643   7.962   3.012
  241   1HZ   LYS  31           HZ1      LYS  31 -17.934   5.340   3.454
  242   2HZ   LYS  31           HZ3      LYS  31 -18.812   6.726   3.016
  243   3HZ   LYS  31           HZ2      LYS  31 -17.613   6.118   1.979
  244    H    GLY  32           HN       GLY  32 -11.940   7.600   1.526
  245   1HA   GLY  32           HA2      GLY  32  -9.246   6.454   1.187
  246   2HA   GLY  32           HA1      GLY  32  -9.703   7.670  -0.003
  247    H    THR  33           HN       THR  33  -7.563   7.920   1.857
  248    HA   THR  33           HA       THR  33  -8.452  10.398   3.222
  249    HB   THR  33           HB       THR  33  -7.576   9.742   5.386
  250    HG1  THR  33           HG1      THR  33  -6.109   8.230   3.732
  251   1HG2  THR  33          HG22      THR  33  -9.770   8.578   4.753
  252   2HG2  THR  33          HG21      THR  33  -8.798   7.200   4.247
  253   3HG2  THR  33          HG23      THR  33  -8.796   7.708   5.934
  254    H    GLY  34           HN       GLY  34  -6.835   9.891   0.885
  255   1HA   GLY  34           HA2      GLY  34  -4.076  10.491   1.795
  256   2HA   GLY  34           HA1      GLY  34  -4.549  10.110   0.142
  257    H    VAL  35           HN       VAL  35  -3.282  12.001  -0.444
  258    HA   VAL  35           HA       VAL  35  -3.838  14.644   0.434
  259    HB   VAL  35           HB       VAL  35  -2.963  13.800  -2.340
  260   1HG1  VAL  35          HG13      VAL  35  -2.568  16.346  -0.728
  261   2HG1  VAL  35          HG12      VAL  35  -1.848  16.028  -2.303
  262   3HG1  VAL  35          HG11      VAL  35  -3.596  16.174  -2.147
  263   1HG2  VAL  35          HG22      VAL  35  -1.384  14.274   0.212
  264   2HG2  VAL  35          HG21      VAL  35  -1.527  12.753  -0.663
  265   3HG2  VAL  35          HG23      VAL  35  -0.659  14.104  -1.384
  266    H    GLY  36           HN       GLY  36  -6.124  14.805   0.620
  267   1HA   GLY  36           HA2      GLY  36  -8.049  15.896  -0.293
  268   2HA   GLY  36           HA1      GLY  36  -7.404  15.625  -1.909
  269    H    GLY  37           HN       GLY  37  -6.921  12.735  -0.807
  270   1HA   GLY  37           HA2      GLY  37  -8.969  11.189  -0.138
  271   2HA   GLY  37           HA1      GLY  37  -9.591  11.762  -1.682
  272    NH1  ARG  38           NH2      ARG  38   0.417   9.903  -3.353
  273    NH2  ARG  38           NH1      ARG  38   0.109   8.366  -1.690
  274    H    ARG  38           HN       ARG  38  -6.383  11.710  -2.150
  275    HA   ARG  38           HA       ARG  38  -6.267   9.653  -4.002
  276   1HB   ARG  38           HB2      ARG  38  -4.441  11.342  -3.360
  277   2HB   ARG  38           HB1      ARG  38  -3.962  10.181  -2.127
  278   1HG   ARG  38           HG2      ARG  38  -3.840   8.434  -3.972
  279   2HG   ARG  38           HG1      ARG  38  -4.047   9.747  -5.126
  280   1HD   ARG  38           HD2      ARG  38  -1.740   9.767  -5.024
  281   2HD   ARG  38           HD1      ARG  38  -2.055  10.800  -3.631
  282    HE   ARG  38           HE       ARG  38  -2.016   7.997  -2.889
  283   1HH1  ARG  38          HH21      ARG  38   0.052  10.392  -4.145
  284   2HH1  ARG  38          HH22      ARG  38   1.351  10.082  -3.041
  285   1HH2  ARG  38          HH11      ARG  38  -0.487   7.705  -1.235
  286   2HH2  ARG  38          HH12      ARG  38   1.037   8.520  -1.350
  287    H    LEU  39           HN       LEU  39  -7.155   7.693  -3.615
  288    HA   LEU  39           HA       LEU  39  -7.301   6.282  -1.208
  289   1HB   LEU  39           HB2      LEU  39  -8.424   5.635  -3.357
  290   2HB   LEU  39           HB1      LEU  39  -6.875   5.046  -3.942
  291    HG   LEU  39           HG       LEU  39  -6.765   3.477  -1.991
  292   1HD1  LEU  39          HD11      LEU  39  -9.321   4.899  -1.346
  293   2HD1  LEU  39          HD13      LEU  39  -9.236   3.178  -0.994
  294   3HD1  LEU  39          HD12      LEU  39  -8.080   4.283  -0.261
  295   1HD2  LEU  39          HD22      LEU  39  -7.701   2.760  -4.182
  296   2HD2  LEU  39          HD21      LEU  39  -8.477   1.926  -2.839
  297   3HD2  LEU  39          HD23      LEU  39  -9.303   3.257  -3.644
  298    H    THR  40           HN       THR  40  -5.834   5.382   0.091
  299    HA   THR  40           HA       THR  40  -3.065   4.982  -0.953
  300    HB   THR  40           HB       THR  40  -2.321   5.206   1.366
  301    HG1  THR  40           HG1      THR  40  -5.090   5.334   1.981
  302   1HG2  THR  40          HG22      THR  40  -3.432   7.311   0.095
  303   2HG2  THR  40          HG21      THR  40  -4.609   7.141   1.394
  304   3HG2  THR  40          HG23      THR  40  -2.913   7.429   1.773
  305    NH1  ARG  41           NH1      ARG  41   0.951  -0.730   3.960
  306    NH2  ARG  41           NH2      ARG  41   1.036  -2.946   3.413
  307    H    ARG  41           HN       ARG  41  -2.079   3.241   0.904
  308    HA   ARG  41           HA       ARG  41  -3.510   0.740   0.168
  309   1HB   ARG  41           HB2      ARG  41  -0.981   1.171  -0.230
  310   2HB   ARG  41           HB1      ARG  41  -0.812   0.876   1.497
  311   1HG   ARG  41           HG2      ARG  41  -2.398  -1.226   0.801
  312   2HG   ARG  41           HG1      ARG  41  -1.482  -1.020  -0.687
  313   1HD   ARG  41           HD2      ARG  41  -0.143  -2.489   0.617
  314   2HD   ARG  41           HD1      ARG  41   0.609  -0.912   0.848
  315    HE   ARG  41           HE       ARG  41  -1.425  -1.550   2.855
  316   1HH1  ARG  41          HH11      ARG  41   0.517   0.164   3.847
  317   2HH1  ARG  41          HH12      ARG  41   1.729  -0.833   4.579
  318   1HH2  ARG  41          HH21      ARG  41   0.666  -3.715   2.890
  319   2HH2  ARG  41          HH22      ARG  41   1.816  -3.087   4.023
  320    H    GLU  42           HN       GLU  42  -3.243   2.851   2.743
  321    HA   GLU  42           HA       GLU  42  -3.405   0.813   4.861
  322   1HB   GLU  42           HB2      GLU  42  -2.478   3.364   4.852
  323   2HB   GLU  42           HB1      GLU  42  -4.101   3.621   5.483
  324   1HG   GLU  42           HG2      GLU  42  -3.650   1.746   7.136
  325   2HG   GLU  42           HG1      GLU  42  -1.973   1.765   6.595
  326    H    ASP  43           HN       ASP  43  -5.532   2.138   2.672
  327    HA   ASP  43           HA       ASP  43  -7.859   2.046   4.513
  328   1HB   ASP  43           HB2      ASP  43  -7.636   2.850   1.600
  329   2HB   ASP  43           HB1      ASP  43  -9.123   2.909   2.543
  330    H    VAL  44           HN       VAL  44  -6.735   0.564   1.488
  331    HA   VAL  44           HA       VAL  44  -8.930  -1.294   1.294
  332    HB   VAL  44           HB       VAL  44  -6.137  -1.448   0.129
  333   1HG1  VAL  44          HG11      VAL  44  -8.632  -3.090  -0.192
  334   2HG1  VAL  44          HG13      VAL  44  -7.591  -2.846  -1.592
  335   3HG1  VAL  44          HG12      VAL  44  -6.953  -3.618  -0.144
  336   1HG2  VAL  44          HG23      VAL  44  -7.442   0.572  -0.524
  337   2HG2  VAL  44          HG22      VAL  44  -7.209  -0.520  -1.884
  338   3HG2  VAL  44          HG21      VAL  44  -8.759  -0.469  -1.052
  339    H    GLU  45           HN       GLU  45  -5.970  -1.263   3.084
  340    HA   GLU  45           HA       GLU  45  -5.749  -4.096   3.548
  341   1HB   GLU  45           HB2      GLU  45  -4.313  -1.777   4.266
  342   2HB   GLU  45           HB1      GLU  45  -4.777  -2.547   5.780
  343   1HG   GLU  45           HG2      GLU  45  -3.880  -4.712   4.920
  344   2HG   GLU  45           HG1      GLU  45  -3.350  -3.886   3.457
  345    H    LYS  46           HN       LYS  46  -7.399  -1.481   5.245
  346    HA   LYS  46           HA       LYS  46  -8.275  -3.189   7.435
  347   1HB   LYS  46           HB2      LYS  46  -9.023  -0.412   6.521
  348   2HB   LYS  46           HB1      LYS  46  -9.834  -1.196   7.872
  349   1HG   LYS  46           HG2      LYS  46  -7.898  -1.226   9.189
  350   2HG   LYS  46           HG1      LYS  46  -6.829  -1.129   7.795
  351   1HD   LYS  46           HD2      LYS  46  -7.539   1.199   7.395
  352   2HD   LYS  46           HD1      LYS  46  -8.645   1.106   8.762
  353   1HE   LYS  46           HE2      LYS  46  -6.047   0.234   9.625
  354   2HE   LYS  46           HE1      LYS  46  -5.872   1.777   8.799
  355   1HZ   LYS  46           HZ3      LYS  46  -7.700   2.624  10.209
  356   2HZ   LYS  46           HZ2      LYS  46  -7.661   1.167  11.081
  357   3HZ   LYS  46           HZ1      LYS  46  -6.306   2.192  11.080
  358    H    HIS  47           HN       HIS  47  -8.897  -4.366   4.968
  359    HA   HIS  47           HA       HIS  47 -11.836  -4.560   5.254
  360   1HB   HIS  47           HB2      HIS  47 -11.002  -2.871   3.371
  361   2HB   HIS  47           HB1      HIS  47 -10.805  -4.364   2.458
  362    HD1  HIS  47           HD1      HIS  47 -13.477  -2.714   4.443
  363    HD2  HIS  47           HD2      HIS  47 -13.120  -5.302   1.337
  364    HE1  HIS  47           HE1      HIS  47 -15.751  -3.094   3.682
  365    H    LEU  48           HN       LEU  48  -8.857  -5.744   3.811
  366    HA   LEU  48           HA       LEU  48  -9.971  -8.251   2.893
  367   1HB   LEU  48           HB2      LEU  48  -7.205  -7.169   3.302
  368   2HB   LEU  48           HB1      LEU  48  -7.421  -8.892   3.019
  369    HG   LEU  48           HG       LEU  48  -8.884  -6.998   1.222
  370   1HD1  LEU  48          HD13      LEU  48  -5.902  -7.368   1.349
  371   2HD1  LEU  48          HD12      LEU  48  -6.676  -7.186  -0.223
  372   3HD1  LEU  48          HD11      LEU  48  -6.825  -5.913   0.986
  373   1HD2  LEU  48          HD21      LEU  48  -9.109  -9.485   1.078
  374   2HD2  LEU  48          HD23      LEU  48  -8.442  -8.790  -0.397
  375   3HD2  LEU  48          HD22      LEU  48  -7.382  -9.598   0.754
  376    H    ALA  49           HN       ALA  49  -9.451  -7.070   5.952
  377    HA   ALA  49           HA       ALA  49  -9.948  -9.651   7.178
  378   1HB   ALA  49           HB2      ALA  49  -7.187  -8.684   6.930
  379   2HB   ALA  49           HB1      ALA  49  -7.647  -9.071   8.585
  380   3HB   ALA  49           HB3      ALA  49  -7.779 -10.295   7.325
  381    H    LYS  50           HN       LYS  50 -10.864  -9.384   9.155
  382    HA   LYS  50           HA       LYS  50 -11.361  -6.641  10.049
  383   1HB   LYS  50           HB2      LYS  50 -12.242  -9.353  11.042
  384   2HB   LYS  50           HB1      LYS  50 -12.652  -7.866  11.889
  385   1HG   LYS  50           HG2      LYS  50 -13.144  -7.748   8.987
  386   2HG   LYS  50           HG1      LYS  50 -14.120  -8.952   9.820
  387   1HD   LYS  50           HD2      LYS  50 -14.879  -7.248  11.429
  388   2HD   LYS  50           HD1      LYS  50 -13.866  -6.040  10.648
  389   1HE   LYS  50           HE2      LYS  50 -15.201  -5.971   8.723
  390   2HE   LYS  50           HE1      LYS  50 -15.865  -7.576   9.006
  391   1HZ   LYS  50           HZ2      LYS  50 -16.913  -6.537  11.061
  392   2HZ   LYS  50           HZ1      LYS  50 -16.555  -5.039  10.344
  393   3HZ   LYS  50           HZ3      LYS  50 -17.579  -6.137   9.550
  394    H    ALA  51           HN       ALA  51  -9.710  -9.501  11.337
  395    HA   ALA  51           HA       ALA  51  -8.005  -7.708  12.965
  396   1HB   ALA  51           HB1      ALA  51  -9.911  -8.331  14.428
  397   2HB   ALA  51           HB3      ALA  51  -9.535 -10.031  14.166
  398   3HB   ALA  51           HB2      ALA  51  -8.391  -8.996  15.015
   
 Raw file had 398 H/Q atoms
  Start of MODEL   56
    1    OH   TYR   1           OH       TYR   1  35.066   3.554  -4.216
    2   1H    TYR   1           HT1      TYR   1  32.001  -1.963   0.902
    3   2H    TYR   1           HT3      TYR   1  33.245  -1.941  -0.255
    4   3H    TYR   1           HT2      TYR   1  33.198  -0.758   0.963
    5    HA   TYR   1           HA       TYR   1  32.012   0.554  -0.332
    6   1HB   TYR   1           HB2      TYR   1  32.649  -1.675  -2.110
    7   2HB   TYR   1           HB1      TYR   1  31.150  -0.869  -2.561
    8    HD1  TYR   1           HD1      TYR   1  34.350   0.386  -1.064
    9    HD2  TYR   1           HD2      TYR   1  31.585   0.660  -4.285
   10    HE1  TYR   1           HE1      TYR   1  35.637   2.245  -2.009
   11    HE2  TYR   1           HE2      TYR   1  32.873   2.519  -5.230
   12    HH   TYR   1           HH       TYR   1  34.564   4.361  -4.081
   13    H    ALA   2           HN       ALA   2  29.782   0.727  -1.502
   14    HA   ALA   2           HA       ALA   2  27.765  -1.209  -0.679
   15   1HB   ALA   2           HB3      ALA   2  28.479   0.457   1.328
   16   2HB   ALA   2           HB2      ALA   2  27.242   1.440   0.550
   17   3HB   ALA   2           HB1      ALA   2  26.843  -0.170   1.141
   18    H    SER   3           HN       SER   3  25.496  -0.186  -1.057
   19    HA   SER   3           HA       SER   3  25.557   1.897  -3.165
   20   1HB   SER   3           HB2      SER   3  24.188   0.455  -4.695
   21   2HB   SER   3           HB1      SER   3  25.795  -0.236  -4.399
   22    HG   SER   3           HG1      SER   3  23.543  -0.787  -2.773
   23    H    LEU   4           HN       LEU   4  22.761   0.262  -3.534
   24    HA   LEU   4           HA       LEU   4  21.250   2.250  -2.009
   25   1HB   LEU   4           HB2      LEU   4  20.750   0.458  -4.199
   26   2HB   LEU   4           HB1      LEU   4  19.524   0.207  -2.962
   27    HG   LEU   4           HG       LEU   4  19.120   2.669  -2.900
   28   1HD1  LEU   4          HD12      LEU   4  21.567   2.652  -4.422
   29   2HD1  LEU   4          HD11      LEU   4  20.302   3.417  -5.378
   30   3HD1  LEU   4          HD13      LEU   4  20.692   4.037  -3.777
   31   1HD2  LEU   4          HD23      LEU   4  18.937   1.378  -5.645
   32   2HD2  LEU   4          HD22      LEU   4  17.735   1.257  -4.364
   33   3HD2  LEU   4          HD21      LEU   4  18.038   2.806  -5.142
   34    H    GLU   5           HN       GLU   5  22.808  -0.421  -1.051
   35    HA   GLU   5           HA       GLU   5  20.706  -1.584   0.644
   36   1HB   GLU   5           HB2      GLU   5  23.631  -2.180   0.958
   37   2HB   GLU   5           HB1      GLU   5  22.252  -3.255   1.167
   38   1HG   GLU   5           HG2      GLU   5  21.850  -2.808  -1.390
   39   2HG   GLU   5           HG1      GLU   5  23.540  -2.312  -1.388
   40    H    GLU   6           HN       GLU   6  22.694   1.086   0.811
   41    HA   GLU   6           HA       GLU   6  23.450   1.054   3.587
   42   1HB   GLU   6           HB2      GLU   6  23.972   3.381   3.295
   43   2HB   GLU   6           HB1      GLU   6  24.393   2.570   1.790
   44   1HG   GLU   6           HG2      GLU   6  21.818   3.174   1.243
   45   2HG   GLU   6           HG1      GLU   6  22.185   4.493   2.352
   46    H    GLN   7           HN       GLN   7  22.556   3.152   4.885
   47    HA   GLN   7           HA       GLN   7  20.101   2.485   5.986
   48   1HB   GLN   7           HB2      GLN   7  21.495   5.134   5.698
   49   2HB   GLN   7           HB1      GLN   7  19.928   5.034   6.492
   50   1HG   GLN   7           HG2      GLN   7  20.752   3.700   8.239
   51   2HG   GLN   7           HG1      GLN   7  22.119   3.129   7.288
   52   1HE2  GLN   7          HE22      GLN   7  22.731   7.051   8.051
   53   2HE2  GLN   7          HE21      GLN   7  21.491   6.520   7.021
   54    H    ASN   8           HN       ASN   8  18.137   2.303   5.123
   55    HA   ASN   8           HA       ASN   8  16.821   4.378   3.682
   56   1HB   ASN   8           HB2      ASN   8  18.538   2.675   2.083
   57   2HB   ASN   8           HB1      ASN   8  16.860   2.535   1.567
   58   1HD2  ASN   8          HD22      ASN   8  16.630   6.091   0.791
   59   2HD2  ASN   8          HD21      ASN   8  15.721   4.870   1.540
   60    H    ASN   9           HN       ASN   9  17.114   0.887   4.109
   61    HA   ASN   9           HA       ASN   9  15.480  -0.726   4.606
   62   1HB   ASN   9           HB2      ASN   9  14.902   1.393   6.189
   63   2HB   ASN   9           HB1      ASN   9  13.414   1.300   5.251
   64   1HD2  ASN   9          HD22      ASN   9  12.280  -1.611   6.871
   65   2HD2  ASN   9          HD21      ASN   9  11.963  -0.388   5.737
   66    H    ASP  10           HN       ASP  10  12.619  -0.384   4.341
   67    HA   ASP  10           HA       ASP  10  11.971   0.550   1.688
   68   1HB   ASP  10           HB2      ASP  10  13.389  -1.533   1.248
   69   2HB   ASP  10           HB1      ASP  10  12.064  -2.458   1.949
   70    H    ALA  11           HN       ALA  11  10.170   1.422   2.712
   71    HA   ALA  11           HA       ALA  11   8.390  -0.177   4.352
   72   1HB   ALA  11           HB2      ALA  11   8.013   2.504   2.994
   73   2HB   ALA  11           HB1      ALA  11   6.854   1.794   4.114
   74   3HB   ALA  11           HB3      ALA  11   8.467   2.227   4.673
   75    H    LEU  12           HN       LEU  12   6.843   1.644   1.879
   76    HA   LEU  12           HA       LEU  12   5.361  -0.718   1.004
   77   1HB   LEU  12           HB2      LEU  12   5.277   2.012  -0.278
   78   2HB   LEU  12           HB1      LEU  12   4.008   0.794  -0.235
   79    HG   LEU  12           HG       LEU  12   5.072   2.397   2.113
   80   1HD1  LEU  12          HD13      LEU  12   3.186   3.110   0.285
   81   2HD1  LEU  12          HD12      LEU  12   2.184   2.231   1.435
   82   3HD1  LEU  12          HD11      LEU  12   3.130   3.615   1.972
   83   1HD2  LEU  12          HD21      LEU  12   3.313  -0.049   1.953
   84   2HD2  LEU  12          HD23      LEU  12   4.652   0.271   3.050
   85   3HD2  LEU  12          HD22      LEU  12   3.117   1.104   3.269
   86    H    SER  13           HN       SER  13   4.989  -0.647  -1.587
   87    HA   SER  13           HA       SER  13   7.521  -0.283  -3.020
   88   1HB   SER  13           HB2      SER  13   6.828  -2.827  -1.888
   89   2HB   SER  13           HB1      SER  13   6.778  -2.955  -3.656
   90    HG   SER  13           HG1      SER  13   8.794  -1.541  -3.415
   91    HA   PRO  14           HA       PRO  14   5.007   0.406  -6.547
   92   1HB   PRO  14           HB2      PRO  14   6.218  -1.535  -8.302
   93   2HB   PRO  14           HB1      PRO  14   6.429   0.217  -8.300
   94   1HG   PRO  14           HG2      PRO  14   8.307  -1.797  -7.383
   95   2HG   PRO  14           HG1      PRO  14   8.531  -0.048  -7.409
   96   1HD   PRO  14           HD1      PRO  14   8.132  -1.708  -5.107
   97   2HD   PRO  14           HD2      PRO  14   8.240   0.059  -5.150
   98    H    ALA  15           HN       ALA  15   5.578  -2.902  -5.576
   99    HA   ALA  15           HA       ALA  15   3.550  -4.201  -7.080
  100   1HB   ALA  15           HB1      ALA  15   5.333  -5.279  -5.608
  101   2HB   ALA  15           HB3      ALA  15   4.295  -4.904  -4.236
  102   3HB   ALA  15           HB2      ALA  15   3.726  -5.990  -5.500
  103    H    ILE  16           HN       ILE  16   3.330  -1.932  -4.546
  104    HA   ILE  16           HA       ILE  16   0.926  -2.622  -3.252
  105    HB   ILE  16           HB       ILE  16   2.478  -0.643  -2.763
  106   1HG1  ILE  16          HG12      ILE  16  -0.542  -0.372  -2.848
  107   2HG1  ILE  16          HG11      ILE  16   0.452  -0.870  -1.485
  108   1HG2  ILE  16          HG21      ILE  16   2.253   0.163  -5.207
  109   2HG2  ILE  16          HG23      ILE  16   0.688   0.808  -4.721
  110   3HG2  ILE  16          HG22      ILE  16   2.159   1.391  -3.950
  111   1HD1  ILE  16           HD3      ILE  16   1.564   1.459  -1.680
  112   2HD1  ILE  16           HD2      ILE  16   0.198   1.888  -2.703
  113   3HD1  ILE  16           HD1      ILE  16  -0.071   1.407  -1.032
  114    NH1  ARG  17           NH1      ARG  17   2.906   0.486 -11.836
  115    NH2  ARG  17           NH2      ARG  17   1.802   2.487 -11.843
  116    H    ARG  17           HN       ARG  17   1.472  -1.403  -6.458
  117    HA   ARG  17           HA       ARG  17  -1.314  -0.668  -6.931
  118   1HB   ARG  17           HB2      ARG  17   0.828  -1.202  -8.998
  119   2HB   ARG  17           HB1      ARG  17  -0.621  -0.219  -9.187
  120   1HG   ARG  17           HG2      ARG  17   0.313   1.180  -7.212
  121   2HG   ARG  17           HG1      ARG  17   1.840   0.366  -7.533
  122   1HD   ARG  17           HD2      ARG  17   0.380   2.377  -9.186
  123   2HD   ARG  17           HD1      ARG  17   2.115   2.147  -8.974
  124    HE   ARG  17           HE       ARG  17   0.691   0.052 -10.500
  125   1HH1  ARG  17          HH11      ARG  17   3.018  -0.428 -11.448
  126   2HH1  ARG  17          HH12      ARG  17   3.500   0.790 -12.582
  127   1HH2  ARG  17          HH21      ARG  17   1.087   3.071 -11.459
  128   2HH2  ARG  17          HH22      ARG  17   2.377   2.824 -12.588
  129    NH1  ARG  18           NH1      ARG  18   4.868  -6.262 -12.064
  130    NH2  ARG  18           NH2      ARG  18   6.206  -5.426 -10.413
  131    H    ARG  18           HN       ARG  18   0.774  -3.200  -8.331
  132    HA   ARG  18           HA       ARG  18  -1.233  -4.673  -9.630
  133   1HB   ARG  18           HB2      ARG  18   0.996  -6.087  -8.194
  134   2HB   ARG  18           HB1      ARG  18   0.317  -6.424  -9.782
  135   1HG   ARG  18           HG2      ARG  18   1.196  -4.076 -10.440
  136   2HG   ARG  18           HG1      ARG  18   2.165  -4.174  -8.975
  137   1HD   ARG  18           HD2      ARG  18   2.759  -6.587  -9.976
  138   2HD   ARG  18           HD1      ARG  18   2.368  -5.778 -11.493
  139    HE   ARG  18           HE       ARG  18   4.107  -4.069 -10.044
  140   1HH1  ARG  18          HH11      ARG  18   3.959  -6.338 -12.473
  141   2HH1  ARG  18          HH12      ARG  18   5.645  -6.729 -12.485
  142   1HH2  ARG  18          HH21      ARG  18   6.301  -4.876  -9.583
  143   2HH2  ARG  18          HH22      ARG  18   7.007  -5.878 -10.806
  144    H    LEU  19           HN       LEU  19  -0.706  -4.245  -6.287
  145    HA   LEU  19           HA       LEU  19  -1.846  -6.676  -5.281
  146   1HB   LEU  19           HB2      LEU  19  -0.552  -4.923  -3.967
  147   2HB   LEU  19           HB1      LEU  19  -2.025  -3.961  -3.963
  148    HG   LEU  19           HG       LEU  19  -3.036  -6.340  -3.146
  149   1HD1  LEU  19          HD11      LEU  19  -0.686  -7.304  -3.218
  150   2HD1  LEU  19          HD13      LEU  19  -0.272  -6.209  -1.903
  151   3HD1  LEU  19          HD12      LEU  19  -1.492  -7.456  -1.659
  152   1HD2  LEU  19          HD22      LEU  19  -1.750  -4.104  -1.565
  153   2HD2  LEU  19          HD21      LEU  19  -3.460  -4.351  -1.903
  154   3HD2  LEU  19          HD23      LEU  19  -2.625  -5.411  -0.772
  155    H    LEU  20           HN       LEU  20  -3.239  -3.656  -6.392
  156    HA   LEU  20           HA       LEU  20  -5.935  -4.335  -5.488
  157   1HB   LEU  20           HB2      LEU  20  -4.758  -2.147  -7.188
  158   2HB   LEU  20           HB1      LEU  20  -6.502  -2.351  -7.063
  159    HG   LEU  20           HG       LEU  20  -4.951  -2.381  -4.512
  160   1HD1  LEU  20          HD13      LEU  20  -5.449   0.099  -6.192
  161   2HD1  LEU  20          HD12      LEU  20  -5.062   0.145  -4.475
  162   3HD1  LEU  20          HD11      LEU  20  -3.893  -0.497  -5.622
  163   1HD2  LEU  20          HD23      LEU  20  -7.432  -2.666  -4.645
  164   2HD2  LEU  20          HD22      LEU  20  -6.971  -1.244  -3.716
  165   3HD2  LEU  20          HD21      LEU  20  -7.551  -1.064  -5.368
  166    H    ALA  21           HN       ALA  21  -3.986  -5.071  -8.193
  167    HA   ALA  21           HA       ALA  21  -6.321  -5.692  -9.911
  168   1HB   ALA  21           HB2      ALA  21  -3.418  -5.305 -10.324
  169   2HB   ALA  21           HB1      ALA  21  -4.161  -6.545 -11.331
  170   3HB   ALA  21           HB3      ALA  21  -4.767  -4.892 -11.378
  171    H    GLU  22           HN       GLU  22  -4.551  -7.185  -7.529
  172    HA   GLU  22           HA       GLU  22  -4.724  -9.889  -8.734
  173   1HB   GLU  22           HB2      GLU  22  -2.721  -9.028  -7.358
  174   2HB   GLU  22           HB1      GLU  22  -3.759  -9.239  -5.952
  175   1HG   GLU  22           HG2      GLU  22  -4.182 -11.630  -7.048
  176   2HG   GLU  22           HG1      GLU  22  -2.616 -11.313  -7.792
  177    H    HIS  23           HN       HIS  23  -6.121  -7.950  -6.158
  178    HA   HIS  23           HA       HIS  23  -7.868 -10.213  -5.358
  179   1HB   HIS  23           HB2      HIS  23  -7.812  -7.434  -4.170
  180   2HB   HIS  23           HB1      HIS  23  -8.436  -8.908  -3.435
  181    HD1  HIS  23           HD1      HIS  23  -6.279 -10.772  -3.550
  182    HD2  HIS  23           HD2      HIS  23  -5.401  -6.842  -3.055
  183    HE1  HIS  23           HE1      HIS  23  -4.051 -10.748  -2.587
  184    H    ASN  24           HN       ASN  24  -7.890  -7.481  -7.370
  185    HA   ASN  24           HA       ASN  24  -9.610  -6.416  -8.571
  186   1HB   ASN  24           HB2      ASN  24  -9.887  -8.972  -9.079
  187   2HB   ASN  24           HB1      ASN  24 -11.325  -8.830  -8.071
  188   1HD2  ASN  24          HD22      ASN  24 -11.314  -7.268 -11.818
  189   2HD2  ASN  24          HD21      ASN  24  -9.942  -8.036 -11.178
  190    H    LEU  25           HN       LEU  25  -9.548  -5.475  -6.074
  191    HA   LEU  25           HA       LEU  25 -12.228  -5.738  -4.861
  192   1HB   LEU  25           HB2      LEU  25  -9.633  -4.474  -4.059
  193   2HB   LEU  25           HB1      LEU  25 -11.113  -3.914  -3.294
  194    HG   LEU  25           HG       LEU  25 -10.326  -6.846  -3.463
  195   1HD1  LEU  25          HD12      LEU  25  -8.688  -5.463  -2.144
  196   2HD1  LEU  25          HD11      LEU  25 -10.019  -4.955  -1.109
  197   3HD1  LEU  25          HD13      LEU  25  -9.545  -6.650  -1.166
  198   1HD2  LEU  25          HD21      LEU  25 -12.702  -5.424  -2.596
  199   2HD2  LEU  25          HD23      LEU  25 -12.428  -7.159  -2.686
  200   3HD2  LEU  25          HD22      LEU  25 -11.979  -6.272  -1.234
  201    H    ASP  26           HN       ASP  26 -13.841  -4.323  -5.170
  202    HA   ASP  26           HA       ASP  26 -13.526  -2.181  -7.107
  203   1HB   ASP  26           HB2      ASP  26 -15.755  -3.356  -5.530
  204   2HB   ASP  26           HB1      ASP  26 -15.965  -1.694  -6.073
  205    H    ALA  27           HN       ALA  27 -11.967  -0.800  -6.150
  206    HA   ALA  27           HA       ALA  27 -11.950   0.295  -3.585
  207   1HB   ALA  27           HB3      ALA  27 -11.139   1.346  -6.267
  208   2HB   ALA  27           HB2      ALA  27 -11.126   2.447  -4.894
  209   3HB   ALA  27           HB1      ALA  27 -10.141   0.987  -4.862
  210    H    SER  28           HN       SER  28 -14.319   0.687  -6.003
  211    HA   SER  28           HA       SER  28 -15.362   3.249  -5.523
  212   1HB   SER  28           HB2      SER  28 -16.910   0.685  -6.042
  213   2HB   SER  28           HB1      SER  28 -17.538   2.330  -6.265
  214    HG   SER  28           HG1      SER  28 -15.838   0.898  -7.830
  215    H    ALA  29           HN       ALA  29 -15.849   0.270  -3.690
  216    HA   ALA  29           HA       ALA  29 -17.746   1.438  -1.836
  217   1HB   ALA  29           HB1      ALA  29 -16.027  -1.049  -1.708
  218   2HB   ALA  29           HB3      ALA  29 -17.187  -0.615  -0.458
  219   3HB   ALA  29           HB2      ALA  29 -17.741  -0.954  -2.095
  220    H    ILE  30           HN       ILE  30 -14.331   1.494  -2.144
  221    HA   ILE  30           HA       ILE  30 -13.959   2.329   0.681
  222    HB   ILE  30           HB       ILE  30 -11.891   1.962  -1.504
  223   1HG1  ILE  30          HG12      ILE  30 -13.006  -0.165  -1.115
  224   2HG1  ILE  30          HG11      ILE  30 -11.428  -0.225  -0.348
  225   1HG2  ILE  30          HG22      ILE  30 -11.791   2.911   1.261
  226   2HG2  ILE  30          HG21      ILE  30 -10.730   1.533   1.000
  227   3HG2  ILE  30          HG23      ILE  30 -10.554   2.977   0.011
  228   1HD1  ILE  30           HD2      ILE  30 -12.751   0.642   1.777
  229   2HD1  ILE  30           HD1      ILE  30 -14.148  -0.003   0.926
  230   3HD1  ILE  30           HD3      ILE  30 -12.809  -1.063   1.352
  231    H    LYS  31           HN       LYS  31 -12.971   4.334   1.208
  232    HA   LYS  31           HA       LYS  31 -13.545   6.456  -0.800
  233   1HB   LYS  31           HB2      LYS  31 -13.200   7.970   1.254
  234   2HB   LYS  31           HB1      LYS  31 -14.636   6.953   1.241
  235   1HG   LYS  31           HG2      LYS  31 -13.493   5.278   2.637
  236   2HG   LYS  31           HG1      LYS  31 -12.017   6.232   2.605
  237   1HD   LYS  31           HD2      LYS  31 -12.792   7.231   4.492
  238   2HD   LYS  31           HD1      LYS  31 -13.942   8.061   3.452
  239   1HE   LYS  31           HE2      LYS  31 -15.447   6.003   3.705
  240   2HE   LYS  31           HE1      LYS  31 -14.362   5.489   4.991
  241   1HZ   LYS  31           HZ2      LYS  31 -14.911   8.107   5.553
  242   2HZ   LYS  31           HZ1      LYS  31 -16.399   7.475   5.031
  243   3HZ   LYS  31           HZ3      LYS  31 -15.574   6.747   6.325
  244    H    GLY  32           HN       GLY  32 -11.959   7.590  -1.740
  245   1HA   GLY  32           HA2      GLY  32  -9.161   7.120  -0.786
  246   2HA   GLY  32           HA1      GLY  32  -9.594   7.492  -2.450
  247    H    THR  33           HN       THR  33  -8.470   8.767   0.427
  248    HA   THR  33           HA       THR  33  -9.427  11.517  -0.164
  249    HB   THR  33           HB       THR  33  -8.105  11.981   2.051
  250    HG1  THR  33           HG1      THR  33  -6.918  10.087   2.034
  251   1HG2  THR  33          HG22      THR  33 -10.593  10.320   1.735
  252   2HG2  THR  33          HG21      THR  33  -9.887  10.460   3.343
  253   3HG2  THR  33          HG23      THR  33 -10.414  11.904   2.483
  254    H    GLY  34           HN       GLY  34  -6.317   9.979   0.646
  255   1HA   GLY  34           HA2      GLY  34  -4.129  10.611   0.044
  256   2HA   GLY  34           HA1      GLY  34  -4.830  10.795  -1.560
  257    H    VAL  35           HN       VAL  35  -2.991  12.484  -1.442
  258    HA   VAL  35           HA       VAL  35  -3.378  14.898   0.062
  259    HB   VAL  35           HB       VAL  35  -1.961  14.563  -2.595
  260   1HG1  VAL  35          HG12      VAL  35  -1.693  16.590  -0.346
  261   2HG1  VAL  35          HG11      VAL  35  -0.633  16.502  -1.749
  262   3HG1  VAL  35          HG13      VAL  35  -2.334  16.908  -1.955
  263   1HG2  VAL  35          HG21      VAL  35  -1.114  14.052   0.265
  264   2HG2  VAL  35          HG23      VAL  35  -0.993  12.963  -1.112
  265   3HG2  VAL  35          HG22      VAL  35   0.061  14.370  -1.008
  266    H    GLY  36           HN       GLY  36  -4.585  13.776  -3.024
  267   1HA   GLY  36           HA2      GLY  36  -6.677  15.791  -3.011
  268   2HA   GLY  36           HA1      GLY  36  -5.462  16.113  -4.246
  269    H    GLY  37           HN       GLY  37  -7.171  13.238  -3.008
  270   1HA   GLY  37           HA2      GLY  37  -8.732  11.919  -4.293
  271   2HA   GLY  37           HA1      GLY  37  -8.150  12.708  -5.757
  272    NH1  ARG  38           NH1      ARG  38   0.742   9.172  -4.309
  273    NH2  ARG  38           NH2      ARG  38   0.204   7.506  -2.841
  274    H    ARG  38           HN       ARG  38  -6.883  10.655  -3.131
  275    HA   ARG  38           HA       ARG  38  -5.710   8.869  -5.192
  276   1HB   ARG  38           HB2      ARG  38  -4.172  10.776  -3.813
  277   2HB   ARG  38           HB1      ARG  38  -3.822   9.240  -3.030
  278   1HG   ARG  38           HG2      ARG  38  -3.399   8.230  -5.278
  279   2HG   ARG  38           HG1      ARG  38  -3.654   9.812  -6.007
  280   1HD   ARG  38           HD2      ARG  38  -1.251   9.456  -5.684
  281   2HD   ARG  38           HD1      ARG  38  -1.798  10.718  -4.581
  282    HE   ARG  38           HE       ARG  38  -2.011   8.601  -2.953
  283   1HH1  ARG  38          HH11      ARG  38   0.447   9.936  -4.883
  284   2HH1  ARG  38          HH12      ARG  38   1.708   8.916  -4.276
  285   1HH2  ARG  38          HH21      ARG  38  -0.495   7.022  -2.315
  286   2HH2  ARG  38          HH22      ARG  38   1.160   7.222  -2.783
  287    H    LEU  39           HN       LEU  39  -5.487   6.746  -4.525
  288    HA   LEU  39           HA       LEU  39  -6.858   6.095  -1.969
  289   1HB   LEU  39           HB2      LEU  39  -7.786   4.997  -3.920
  290   2HB   LEU  39           HB1      LEU  39  -6.197   4.433  -4.416
  291    HG   LEU  39           HG       LEU  39  -6.049   2.956  -2.484
  292   1HD1  LEU  39          HD13      LEU  39  -8.516   4.469  -1.632
  293   2HD1  LEU  39          HD12      LEU  39  -8.225   2.841  -1.031
  294   3HD1  LEU  39          HD11      LEU  39  -7.064   4.120  -0.700
  295   1HD2  LEU  39          HD21      LEU  39  -7.344   2.162  -4.458
  296   2HD2  LEU  39          HD23      LEU  39  -7.941   1.460  -2.957
  297   3HD2  LEU  39          HD22      LEU  39  -8.817   2.783  -3.720
  298    H    THR  40           HN       THR  40  -5.695   5.489  -0.252
  299    HA   THR  40           HA       THR  40  -2.827   4.828  -0.628
  300    HB   THR  40           HB       THR  40  -2.638   5.200   1.803
  301    HG1  THR  40           HG1      THR  40  -4.752   5.691   2.807
  302   1HG2  THR  40          HG22      THR  40  -3.103   7.247   0.205
  303   2HG2  THR  40          HG21      THR  40  -4.708   7.222   0.931
  304   3HG2  THR  40          HG23      THR  40  -3.288   7.480   1.941
  305    NH1  ARG  41           NH1      ARG  41   0.182  -0.762   4.863
  306    NH2  ARG  41           NH2      ARG  41   1.501  -2.464   4.098
  307    H    ARG  41           HN       ARG  41  -2.504   3.305   1.729
  308    HA   ARG  41           HA       ARG  41  -3.686   0.721   0.815
  309   1HB   ARG  41           HB2      ARG  41  -1.103   1.248   1.149
  310   2HB   ARG  41           HB1      ARG  41  -1.481   0.855   2.824
  311   1HG   ARG  41           HG2      ARG  41  -2.535  -1.284   2.016
  312   2HG   ARG  41           HG1      ARG  41  -1.964  -0.901   0.396
  313   1HD   ARG  41           HD2      ARG  41  -0.103  -2.070   1.046
  314   2HD   ARG  41           HD1      ARG  41   0.335  -0.559   1.841
  315    HE   ARG  41           HE       ARG  41  -1.190  -2.672   3.308
  316   1HH1  ARG  41          HH11      ARG  41  -0.664  -0.235   4.787
  317   2HH1  ARG  41          HH12      ARG  41   0.852  -0.535   5.569
  318   1HH2  ARG  41          HH21      ARG  41   1.644  -3.212   3.449
  319   2HH2  ARG  41          HH22      ARG  41   2.193  -2.265   4.792
  320    H    GLU  42           HN       GLU  42  -3.164   2.715   3.679
  321    HA   GLU  42           HA       GLU  42  -4.245   0.954   5.622
  322   1HB   GLU  42           HB2      GLU  42  -3.644   3.808   5.425
  323   2HB   GLU  42           HB1      GLU  42  -5.022   3.476   6.468
  324   1HG   GLU  42           HG2      GLU  42  -2.401   1.965   6.683
  325   2HG   GLU  42           HG1      GLU  42  -2.749   3.413   7.625
  326    H    ASP  43           HN       ASP  43  -5.765   2.181   2.947
  327    HA   ASP  43           HA       ASP  43  -8.436   2.357   4.235
  328   1HB   ASP  43           HB2      ASP  43  -7.448   2.999   1.452
  329   2HB   ASP  43           HB1      ASP  43  -9.152   3.033   1.892
  330    H    VAL  44           HN       VAL  44  -6.632   0.444   1.895
  331    HA   VAL  44           HA       VAL  44  -8.958  -1.368   1.545
  332    HB   VAL  44           HB       VAL  44  -6.277  -1.786   0.255
  333   1HG1  VAL  44          HG12      VAL  44  -8.359  -3.336   0.087
  334   2HG1  VAL  44          HG11      VAL  44  -9.047  -2.066  -0.922
  335   3HG1  VAL  44          HG13      VAL  44  -7.562  -2.875  -1.415
  336   1HG2  VAL  44          HG21      VAL  44  -8.381   0.275  -0.480
  337   2HG2  VAL  44          HG23      VAL  44  -6.682   0.570  -0.121
  338   3HG2  VAL  44          HG22      VAL  44  -7.135  -0.277  -1.595
  339    H    GLU  45           HN       GLU  45  -6.062  -1.099   3.333
  340    HA   GLU  45           HA       GLU  45  -5.328  -3.816   3.684
  341   1HB   GLU  45           HB2      GLU  45  -4.136  -1.689   4.517
  342   2HB   GLU  45           HB1      GLU  45  -5.217  -1.777   5.902
  343   1HG   GLU  45           HG2      GLU  45  -4.379  -4.350   5.834
  344   2HG   GLU  45           HG1      GLU  45  -2.959  -3.567   5.146
  345    H    LYS  46           HN       LYS  46  -7.080  -1.904   6.117
  346    HA   LYS  46           HA       LYS  46  -8.039  -4.089   7.613
  347   1HB   LYS  46           HB2      LYS  46  -9.197  -1.334   7.169
  348   2HB   LYS  46           HB1      LYS  46  -9.889  -2.479   8.312
  349   1HG   LYS  46           HG2      LYS  46  -7.654  -2.650   9.429
  350   2HG   LYS  46           HG1      LYS  46  -7.045  -1.413   8.336
  351   1HD   LYS  46           HD2      LYS  46  -8.852   0.126   9.156
  352   2HD   LYS  46           HD1      LYS  46  -9.313  -1.102  10.330
  353   1HE   LYS  46           HE2      LYS  46  -7.808  -0.037  11.679
  354   2HE   LYS  46           HE1      LYS  46  -6.618  -0.959  10.769
  355   1HZ   LYS  46           HZ1      LYS  46  -6.452   0.917   9.220
  356   2HZ   LYS  46           HZ3      LYS  46  -7.521   1.807  10.195
  357   3HZ   LYS  46           HZ2      LYS  46  -6.006   1.339  10.803
  358    H    HIS  47           HN       HIS  47  -8.816  -3.272   4.460
  359    HA   HIS  47           HA       HIS  47 -11.569  -4.323   4.553
  360   1HB   HIS  47           HB2      HIS  47 -10.517  -2.449   2.978
  361   2HB   HIS  47           HB1      HIS  47 -10.144  -3.847   1.973
  362    HD1  HIS  47           HD1      HIS  47 -13.151  -2.585   3.768
  363    HD2  HIS  47           HD2      HIS  47 -12.212  -4.552   0.345
  364    HE1  HIS  47           HE1      HIS  47 -15.269  -2.894   2.625
  365    H    LEU  48           HN       LEU  48  -8.357  -5.379   3.717
  366    HA   LEU  48           HA       LEU  48  -9.299  -7.822   2.390
  367   1HB   LEU  48           HB2      LEU  48  -6.634  -6.629   3.051
  368   2HB   LEU  48           HB1      LEU  48  -6.724  -8.351   2.701
  369    HG   LEU  48           HG       LEU  48  -8.150  -6.468   0.857
  370   1HD1  LEU  48          HD12      LEU  48  -5.148  -6.897   0.977
  371   2HD1  LEU  48          HD11      LEU  48  -5.979  -6.295  -0.454
  372   3HD1  LEU  48          HD13      LEU  48  -6.007  -5.361   1.039
  373   1HD2  LEU  48          HD22      LEU  48  -8.166  -9.023   0.722
  374   2HD2  LEU  48          HD21      LEU  48  -7.671  -8.193  -0.749
  375   3HD2  LEU  48          HD23      LEU  48  -6.459  -8.923   0.300
  376    H    ALA  49           HN       ALA  49  -9.437  -9.832   3.279
  377    HA   ALA  49           HA       ALA  49  -9.366  -9.982   6.219
  378   1HB   ALA  49           HB1      ALA  49 -10.623 -11.463   4.038
  379   2HB   ALA  49           HB3      ALA  49  -9.939 -12.526   5.264
  380   3HB   ALA  49           HB2      ALA  49 -11.127 -11.307   5.719
  381    H    LYS  50           HN       LYS  50  -7.829 -10.970   7.404
  382    HA   LYS  50           HA       LYS  50  -5.796 -12.648   5.996
  383   1HB   LYS  50           HB2      LYS  50  -5.221 -10.444   7.995
  384   2HB   LYS  50           HB1      LYS  50  -4.022 -11.553   7.343
  385   1HG   LYS  50           HG2      LYS  50  -5.350 -10.547   5.084
  386   2HG   LYS  50           HG1      LYS  50  -5.152  -9.151   6.138
  387   1HD   LYS  50           HD2      LYS  50  -2.741  -9.669   6.369
  388   2HD   LYS  50           HD1      LYS  50  -2.940 -11.064   5.314
  389   1HE   LYS  50           HE2      LYS  50  -4.098  -8.980   3.867
  390   2HE   LYS  50           HE1      LYS  50  -2.692  -8.232   4.616
  391   1HZ   LYS  50           HZ1      LYS  50  -1.855 -10.698   3.708
  392   2HZ   LYS  50           HZ3      LYS  50  -2.804 -10.051   2.457
  393   3HZ   LYS  50           HZ2      LYS  50  -1.475  -9.177   3.056
  394    H    ALA  51           HN       ALA  51  -5.755 -14.586   6.923
  395    HA   ALA  51           HA       ALA  51  -5.753 -14.799   9.867
  396   1HB   ALA  51           HB1      ALA  51  -8.157 -14.879   9.227
  397   2HB   ALA  51           HB3      ALA  51  -7.811 -16.258   8.189
  398   3HB   ALA  51           HB2      ALA  51  -7.606 -16.395   9.932
   
   
  No H/Q in entry =         398